| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 52.5 | Low | 74.6 | Confident | 182 Ų | 182 | 102.9 Ų | 102.9 | 90% | 0.897 | 53% | 0.528 | S | S | * | . | 0 | -82.4 | 0 | -81 | -57.3 | 170.6 | 0 | 0 | 112 | I3 F4 T5 | M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 3.17Å; M1-I3 VanDerWaalsContact O-N 3.09Å; M1-F4 WeakPolarHBondContact O-CA 3.43Å; M1-F4 WeakPolarHBondContact O-CB 3.39Å; M1-F4 PolarHBondContact O-N 3.48Å; M1-T5 PolarHBondContact O-N 3.28Å; M1-T5 VanDerWaalsContact O-N 3.12Å; M1-T5 PolarHBondContact O-OG1 3.45Å | |||
| 2 | V | 64.5 | Low | 74.4 | Confident | 117 Ų | 117 | 109.8 Ų | 109.8 | 71% | 0.709 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -45.4 | -49 | -170.1 | -175.2 | 0 | 0 | 0 | 0 | 114.8 | F4 T5 F6 | V2-F4 VanDerWaalsContact C-N 3.32Å; V2-F4 PolarHBondContact O-N 3.05Å; V2-T5 WeakPolarHBondContact CA-OG1 3.33Å; V2-T5 PolarHBondContact O-N 2.94Å; V2-T5 PolarHBondContact O-OG1 3.3Å; V2-F6 WeakPolarHBondContact O-CB 3.44Å; V2-F6 PolarHBondContact O-N 2.75Å |
| 3 | I | 78 | Confident | 74.2 | Confident | 136 Ų | 136 | 109.3 Ų | 109.3 | 70% | 0.697 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.6 | -40.8 | 177.8 | -61.5 | 171.4 | 0 | 0 | 0 | 112 | M1 F6 I7 | M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 3.17Å; M1-I3 VanDerWaalsContact O-N 3.09Å; I3-F6 PolarHBondContact O-N 3.37Å; I3-I7 HydrophobicContact CG2-CD1 3.86Å; I3-I7 HydrophobicContact CG2-CG1 4.49Å; I3-I7 VanDerWaalsContact O-CG1 3.31Å; I3-I7 WeakPolarHBondContact O-CG1 3.38Å; I3-I7 PolarHBondContact O-N 3.08Å |
| 4 | F | 74.6 | Confident | 73.6 | Confident | 109 Ų | 109 | 107.6 Ų | 107.6 | 48% | 0.478 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -70 | -39.5 | -179.2 | -153.8 | -88.5 | 0 | 0 | 0 | 111.7 | M1 V2 F6 I7 L8 L932 | M1-F4 WeakPolarHBondContact O-CA 3.43Å; M1-F4 WeakPolarHBondContact O-CB 3.39Å; M1-F4 PolarHBondContact O-N 3.48Å; V2-F4 VanDerWaalsContact C-N 3.32Å; V2-F4 PolarHBondContact O-N 3.05Å; F4-F6 VanDerWaalsContact C-N 3.31Å; F4-I7 PolarHBondContact O-N 3.44Å; F4-L8 HydrophobicContact CD1-CD1 3.83Å; F4-L8 HydrophobicContact CD1-CG 4.26Å; F4-L8 HydrophobicContact CE1-CD1 3.98Å; F4-L8 HydrophobicContact CE1-CG 4.33Å; F4-L8 WeakPolarHBondContact O-CG 3.35Å; F4-L8 PolarHBondContact O-N 3.48Å; F4-L932 HydrophobicContact CE2-CD2 3.92Å; F4-L932 HydrophobicContact CZ-CD2 4.12Å |
| 5 | T | 79.6 | Confident | 72.5 | Confident | 81 Ų | 81 | 106 Ų | 106 | 50% | 0.497 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.9 | -33.2 | 171.3 | 38.8 | 0 | 0 | 0 | 0 | 112.5 | M1 V2 L9 | M1-T5 PolarHBondContact O-N 3.28Å; M1-T5 VanDerWaalsContact O-N 3.12Å; M1-T5 PolarHBondContact O-OG1 3.45Å; V2-T5 WeakPolarHBondContact CA-OG1 3.33Å; V2-T5 PolarHBondContact O-N 2.94Å; V2-T5 PolarHBondContact O-OG1 3.3Å; T5-L9 WeakPolarHBondContact O-CB 3.45Å; T5-L9 PolarHBondContact O-N 3.42Å |
| 6 | F | 77.9 | Confident | 71.6 | Confident | 129 Ų | 129 | 106.6 Ų | 106.6 | 57% | 0.566 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -71.4 | -40.9 | 175.7 | -153.7 | -103.4 | 0 | 0 | 0 | 111.8 | V2 I3 F4 L9 I10 | V2-F6 WeakPolarHBondContact O-CB 3.44Å; V2-F6 PolarHBondContact O-N 2.75Å; I3-F6 PolarHBondContact O-N 3.37Å; F4-F6 VanDerWaalsContact C-N 3.31Å; F6-L9 WeakPolarHBondContact O-CB 3.3Å; F6-L9 PolarHBondContact O-N 2.72Å; F6-I10 HydrophobicContact CD1-CD1 3.65Å; F6-I10 HydrophobicContact CD1-CG1 4.4Å; F6-I10 HydrophobicContact CE1-CD1 3.74Å; F6-I10 HydrophobicContact CE1-CG1 4.46Å; F6-I10 WeakPolarHBondContact O-CG1 3.35Å; F6-I10 PolarHBondContact O-N 3.22Å |
| 7 | I | 81 | Confident | 70.5 | Confident | 68 Ų | 68 | 106.4 Ų | 106.4 | 35% | 0.349 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.3 | -43.1 | 172 | -70.6 | 166.2 | 0 | 0 | 0 | 111.1 | I3 F4 L9 I10 L11 | I3-I7 HydrophobicContact CG2-CD1 3.86Å; I3-I7 HydrophobicContact CG2-CG1 4.49Å; I3-I7 VanDerWaalsContact O-CG1 3.31Å; I3-I7 WeakPolarHBondContact O-CG1 3.38Å; I3-I7 PolarHBondContact O-N 3.08Å; F4-I7 PolarHBondContact O-N 3.44Å; I7-L9 VanDerWaalsContact C-N 3.34Å; I7-L9 PolarHBondContact O-N 3.08Å; I7-I10 PolarHBondContact O-N 3.19Å; I7-L11 HydrophobicContact CG2-CD1 3.94Å; I7-L11 WeakPolarHBondContact O-CB 3.48Å; I7-L11 WeakPolarHBondContact O-CG 3.4Å; I7-L11 PolarHBondContact O-N 3.11Å |
| 8 | L | 81.2 | Confident | 69.1 | Low | 88 Ų | 88 | 103.5 Ų | 103.5 | 46% | 0.461 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66 | -33.5 | 175.4 | -73.5 | 171.6 | 0 | 0 | 0 | 113.1 | F4 L11 R12 | F4-L8 HydrophobicContact CD1-CD1 3.83Å; F4-L8 HydrophobicContact CD1-CG 4.26Å; F4-L8 HydrophobicContact CE1-CD1 3.98Å; F4-L8 HydrophobicContact CE1-CG 4.33Å; F4-L8 WeakPolarHBondContact O-CG 3.35Å; F4-L8 PolarHBondContact O-N 3.48Å; L8-L11 HydrophobicContact CD2-CD1 4.48Å; L8-R12 PolarHBondContact O-N 2.71Å |
| 9 | L | 78.4 | Confident | 67.7 | Low | 97 Ų | 97 | 105.4 Ų | 105.4 | 51% | 0.508 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67 | -46.6 | 173.1 | -165.7 | 84.6 | 0 | 0 | 0 | 111 | T5 F6 I7 R12 I13 | T5-L9 WeakPolarHBondContact O-CB 3.45Å; T5-L9 PolarHBondContact O-N 3.42Å; F6-L9 WeakPolarHBondContact O-CB 3.3Å; F6-L9 PolarHBondContact O-N 2.72Å; I7-L9 VanDerWaalsContact C-N 3.34Å; I7-L9 PolarHBondContact O-N 3.08Å; L9-R12 PolarHBondContact O-N 3.47Å; L9-I13 HydrophobicContact CD2-CD1 4.26Å; L9-I13 HydrophobicContact CG-CD1 4.11Å; L9-I13 WeakPolarHBondContact O-CG1 2.6Å; L9-I13 PolarHBondContact O-N 3.42Å |
| 10 | I | 78.8 | Confident | 66.8 | Low | 76 Ų | 76 | 106.1 Ų | 106.1 | 39% | 0.39 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.1 | -45.7 | 176.3 | -71.4 | 169.1 | 0 | 0 | 0 | 110.7 | F6 I7 R12 I13 I14 | F6-I10 HydrophobicContact CD1-CD1 3.65Å; F6-I10 HydrophobicContact CD1-CG1 4.4Å; F6-I10 HydrophobicContact CE1-CD1 3.74Å; F6-I10 HydrophobicContact CE1-CG1 4.46Å; F6-I10 WeakPolarHBondContact O-CG1 3.35Å; F6-I10 PolarHBondContact O-N 3.22Å; I7-I10 PolarHBondContact O-N 3.19Å; I10-R12 VanDerWaalsContact C-N 3.34Å; I10-R12 PolarHBondContact O-N 2.92Å; I10-I13 PolarHBondContact O-N 2.85Å; I10-I13 VanDerWaalsContact O-N 3.11Å; I10-I14 HydrophobicContact CG2-CD1 3.67Å; I10-I14 HydrophobicContact CG2-CG1 4.33Å; I10-I14 WeakPolarHBondContact O-CG1 3.4Å; I10-I14 PolarHBondContact O-N 3.39Å |
| 11 | L | 74.7 | Confident | 66 | Low | 49 Ų | 49 | 104.4 Ų | 104.4 | 26% | 0.257 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -56.8 | -45 | 174.2 | -81.5 | 164.4 | 0 | 0 | 0 | 111.6 | I7 L8 I13 I14 S15 | I7-L11 HydrophobicContact CG2-CD1 3.94Å; I7-L11 WeakPolarHBondContact O-CB 3.48Å; I7-L11 WeakPolarHBondContact O-CG 3.4Å; I7-L11 PolarHBondContact O-N 3.11Å; L8-L11 HydrophobicContact CD2-CD1 4.48Å; L11-I13 PolarHBondContact O-N 2.88Å; L11-I14 PolarHBondContact O-N 2.87Å; L11-S15 WeakPolarHBondContact O-CB 3.33Å; L11-S15 PolarHBondContact O-N 3.34Å; L11-S15 PolarHBondContact O-OG 3.37Å; L11-S15 VanDerWaalsContact O-OG 3.07Å |
| 12 | R | 72.1 | Confident | 66.4 | Low | 186 Ų | 186 | 101 Ų | 101 | 70% | 0.702 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.5 | -40 | 174 | -88 | -165.1 | 171.4 | -153.3 | -1 | 113.1 | L8 L9 I10 V16 | L8-R12 PolarHBondContact O-N 2.71Å; L9-R12 PolarHBondContact O-N 3.47Å; I10-R12 VanDerWaalsContact C-N 3.34Å; I10-R12 PolarHBondContact O-N 2.92Å; R12-V16 WeakPolarHBondContact O-CB 3.46Å; R12-V16 VanDerWaalsContact O-CG2 3.26Å; R12-V16 WeakPolarHBondContact O-CG2 3.44Å; R12-V16 PolarHBondContact O-N 3.29Å |
| 13 | I | 71.4 | Confident | 66.7 | Low | 103 Ų | 103 | 97.2 Ų | 97.2 | 53% | 0.528 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66 | -42.2 | 178.4 | -68.8 | 163.7 | 0 | 0 | 0 | 110.4 | L9 I10 L11 V16 S17 | L9-I13 HydrophobicContact CD2-CD1 4.26Å; L9-I13 HydrophobicContact CG-CD1 4.11Å; L9-I13 WeakPolarHBondContact O-CG1 2.6Å; L9-I13 PolarHBondContact O-N 3.42Å; I10-I13 PolarHBondContact O-N 2.85Å; I10-I13 VanDerWaalsContact O-N 3.11Å; L11-I13 PolarHBondContact O-N 2.88Å; I13-V16 PolarHBondContact O-N 2.71Å; I13-S17 WeakPolarHBondContact O-CB 2.71Å; I13-S17 PolarHBondContact O-N 2.99Å |
| 14 | I | 66 | Low | 66.8 | Low | 85 Ų | 85 | 96.1 Ų | 96.1 | 44% | 0.436 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.5 | -50.9 | 174.7 | -65.8 | 168.4 | 0 | 0 | 0 | 110.3 | I10 L11 V16 S17 S18 | I10-I14 HydrophobicContact CG2-CD1 3.67Å; I10-I14 HydrophobicContact CG2-CG1 4.33Å; I10-I14 WeakPolarHBondContact O-CG1 3.4Å; I10-I14 PolarHBondContact O-N 3.39Å; L11-I14 PolarHBondContact O-N 2.87Å; I14-V16 PolarHBondContact O-N 3.13Å; I14-V16 VanDerWaalsContact O-N 3.13Å; I14-S17 PolarHBondContact O-N 2.85Å; I14-S18 WeakPolarHBondContact O-CB 3.5Å; I14-S18 PolarHBondContact O-N 3.37Å; I14-S18 PolarHBondContact O-OG 3.44Å |
| 15 | S | 57.2 | Low | 67.2 | Low | 84 Ų | 84 | 92.1 Ų | 92.1 | 59% | 0.587 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.5 | -18.7 | 178.5 | -59.4 | 0 | 0 | 0 | 0 | 114.7 | L11 | L11-S15 WeakPolarHBondContact O-CB 3.33Å; L11-S15 PolarHBondContact O-N 3.34Å; L11-S15 PolarHBondContact O-OG 3.37Å; L11-S15 VanDerWaalsContact O-OG 3.07Å |
| 16 | V | 57.9 | Low | 67.5 | Low | 116 Ų | 116 | 92.5 Ų | 92.5 | 70% | 0.703 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -87.9 | -33 | 171.3 | 169.5 | 0 | 0 | 0 | 0 | 111.5 | R12 I13 I14 | R12-V16 WeakPolarHBondContact O-CB 3.46Å; R12-V16 VanDerWaalsContact O-CG2 3.26Å; R12-V16 WeakPolarHBondContact O-CG2 3.44Å; R12-V16 PolarHBondContact O-N 3.29Å; I13-V16 PolarHBondContact O-N 2.71Å; I14-V16 PolarHBondContact O-N 3.13Å; I14-V16 VanDerWaalsContact O-N 3.13Å |
| 17 | S | 52.8 | Low | 67.9 | Low | 102 Ų | 102 | 86.4 Ų | 86.4 | 71% | 0.713 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -85.4 | -17.7 | -178.6 | -165.2 | 0 | 0 | 0 | 0 | 114.8 | I13 I14 | I13-S17 WeakPolarHBondContact O-CB 2.71Å; I13-S17 PolarHBondContact O-N 2.99Å; I14-S17 PolarHBondContact O-N 2.85Å |
| 18 | S | 45.2 | Very low | 67.9 | Low | 55 Ų | 55 | 85.6 Ų | 85.6 | 39% | 0.385 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 22 | -176.4 | -60.5 | 0 | 0 | 0 | 0 | 114.6 | I14 N20 | I14-S18 WeakPolarHBondContact O-CB 3.5Å; I14-S18 PolarHBondContact O-N 3.37Å; I14-S18 PolarHBondContact O-OG 3.44Å; S18-N20 PolarHBondContact O-N 3.33Å |
| 19 | R | 43.2 | Very low | 67.6 | Low | 139 Ų | 139 | 83.9 Ų | 83.9 | 53% | 0.525 | 44% | 0.436 | S | S | . | . | trans | -74.6 | 60.2 | 175.4 | -86 | -171.7 | 165 | -147 | -3.4 | 112.9 | F21 D77 | R19-F21 HydrophobicContact CB-CE2 4.07Å; R19-F21 HydrophobicContact CB-CZ 4.42Å; R19-F21 HydrophobicContact CG-CE2 4.23Å; R19-F21 HydrophobicContact CG-CZ 4.11Å; R19-D77 IonicContact CZ-OD2 3.54Å; R19-D77 IonicContact NH1-OD1 3.65Å; R19-D77 IonicContact NH1-OD2 2.72Å; R19-D77 PolarHBondContact NH1-OD2 3.17Å; R19-D77 IonicContact NH2-OD2 3.57Å | ||
| 20 | N | 49.7 | Very low | 67.4 | Low | 119 Ų | 119 | 83.3 Ų | 83.3 | 64% | 0.636 | 44% | 0.438 | S | S | * | . | trans | -77.6 | 118.8 | 156.6 | -81.9 | 6.3 | 0 | 0 | 0 | 108 | S18 D22 | S18-N20 PolarHBondContact O-N 3.33Å; N20-D22 PolarHBondContact O-N 2.97Å | ||
| 21 | F | 49.9 | Very low | 67.3 | Low | 72 Ų | 72 | 83.1 Ų | 83.1 | 32% | 0.316 | 44% | 0.435 | S | S | . | . | trans | -97.3 | 84.9 | 178.1 | -72.3 | -72.4 | 0 | 0 | 0 | 110.7 | R19 E23 | R19-F21 HydrophobicContact CB-CE2 4.07Å; R19-F21 HydrophobicContact CB-CZ 4.42Å; R19-F21 HydrophobicContact CG-CE2 4.23Å; R19-F21 HydrophobicContact CG-CZ 4.11Å; F21-E23 PolarHBondContact O-N 3.23Å | ||
| 22 | D | 60.7 | Low | 67.4 | Low | 109 Ų | 109 | 80.8 Ų | 80.8 | 58% | 0.583 | 42% | 0.423 | S | S | * | . | trans | -81.3 | 93 | 167.2 | -66.8 | -23.3 | 0 | 0 | 0 | 108.9 | N20 I70 | N20-D22 PolarHBondContact O-N 2.97Å; D22-I70 WeakPolarHBondContact CA-O 3.37Å | ||
| 23 | E | 70.8 | Confident | 67.5 | Low | 38 Ų | 38 | 75.6 Ų | 75.6 | 18% | 0.178 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 119.2 | 176.9 | -177.4 | 165.5 | -129.2 | 0 | 0 | 110.4 | F21 I70 R80 | F21-E23 PolarHBondContact O-N 3.23Å; E23-I70 HydrophobicContact CB-CB 4.37Å; E23-I70 HydrophobicContact CB-CD1 3.86Å; E23-I70 HydrophobicContact CG-CD1 3.95Å; E23-I70 PolarHBondContact N-O 3.23Å; E23-I70 WeakPolarHBondContact O-CB 3.29Å; E23-I70 WeakPolarHBondContact O-CD1 3.45Å; E23-I70 WeakPolarHBondContact O-CG1 3.45Å; E23-I70 PolarHBondContact O-N 2.92Å; E23-R80 IonicContact OE1-CZ 2.78Å; E23-R80 VanDerWaalsContact OE1-CZ 3.26Å; E23-R80 IonicContact OE1-NE 2.69Å; E23-R80 PolarHBondContact OE1-NE 2.94Å; E23-R80 IonicContact OE1-NH2 3.18Å; E23-R80 PolarHBondContact OE1-NH2 3.47Å; E23-R80 IonicContact OE2-NE 3.1Å |
| 24 | L | 79.6 | Confident | 67.7 | Low | 113 Ų | 113 | 74.8 Ų | 74.8 | 59% | 0.592 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 115.4 | -173.9 | -163.6 | 81.6 | 0 | 0 | 0 | 110.9 | L67 N69 | L24-L67 HydrophobicContact CD1-CD1 3.88Å; L24-L67 HydrophobicContact CD1-CD2 4.33Å; L24-L67 HydrophobicContact CD1-CG 4.27Å; L24-L67 HydrophobicContact CD2-CD1 4.18Å; L24-L67 HydrophobicContact CG-CD1 3.86Å; L24-N69 HydrophobicContact CD1-CB 3.75Å; L24-N69 VanDerWaalsContact CD1-OD1 3.31Å; L24-N69 WeakPolarHBondContact CD1-OD1 3.34Å |
| 25 | I | 83.3 | Confident | 68.2 | Low | 26 Ų | 26 | 77.4 Ų | 77.4 | 13% | 0.133 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 121.5 | 179.8 | -55.7 | 174.7 | 0 | 0 | 0 | 108.9 | L67 V68 I70 Y83 | I25-L67 CarbonylContact O-C 3.57Å; I25-V68 HydrophobicContact CB-CB 4.27Å; I25-V68 PolarHBondContact N-O 2.72Å; I25-V68 PolarHBondContact O-N 3.01Å; I25-I70 HydrophobicContact CD1-CD1 4.02Å; I25-I70 HydrophobicContact CG1-CD1 4.45Å; I25-Y83 HydrophobicContact CG2-CD1 3.64Å; I25-Y83 HydrophobicContact CG2-CE1 3.64Å |
| 26 | L | 85.9 | Confident | 69.2 | Low | 89 Ų | 89 | 74.9 Ų | 74.9 | 47% | 0.466 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 112.9 | 174.2 | 178.3 | 65.2 | 0 | 0 | 0 | 110.2 | D28 Q65 L67 W1033 | L26-D28 PolarHBondContact O-N 3.38Å; L26-Q65 HydrophobicContact CD1-CB 4.35Å; L26-L67 HydrophobicContact CB-CD1 4.28Å; L26-L67 HydrophobicContact CD1-CD1 4.21Å; L26-W1033 HydrophobicContact CD1-CZ3 4.46Å |
| 27 | I | 85.6 | Confident | 70 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 105.3 | 170.6 | -42.7 | 177.9 | 0 | 0 | 0 | 107.4 | E31 L32 Q65 I66 Y83 L85 V94 | I27-E31 HydrophobicContact CG2-CB 4.46Å; I27-L32 HydrophobicContact CG2-CD1 4.23Å; I27-L32 HydrophobicContact CG2-CD2 3.87Å; I27-L32 HydrophobicContact CG2-CG 3.82Å; I27-Q65 WeakPolarHBondContact O-CA 3.16Å; I27-I66 HydrophobicContact CB-CB 4.25Å; I27-I66 HydrophobicContact CD1-CB 4.28Å; I27-I66 HydrophobicContact CD1-CG2 4.42Å; I27-I66 HydrophobicContact CG1-CB 4.45Å; I27-I66 PolarHBondContact N-O 2.98Å; I27-I66 PolarHBondContact O-N 3Å; I27-Y83 HydrophobicContact CD1-CD1 4.38Å; I27-Y83 HydrophobicContact CD1-CD2 3.47Å; I27-Y83 VanDerWaalsContact CD1-CD2 3.47Å; I27-Y83 HydrophobicContact CD1-CE2 3.87Å; I27-Y83 HydrophobicContact CD1-CG 3.75Å; I27-Y83 HydrophobicContact CG1-CD1 4.36Å; I27-Y83 HydrophobicContact CG1-CD2 3.95Å; I27-Y83 HydrophobicContact CG1-CE1 4.29Å; I27-Y83 HydrophobicContact CG1-CE2 3.86Å; I27-Y83 HydrophobicContact CG1-CG 4.19Å; I27-Y83 HydrophobicContact CG2-CE2 3.99Å; I27-L85 HydrophobicContact CG2-CD1 4.2Å; I27-V94 HydrophobicContact CD1-CG1 4.17Å |
| 28 | D | 81.2 | Confident | 70.6 | Confident | 52 Ų | 52 | 74.5 Ų | 74.5 | 28% | 0.278 | 38% | 0.377 | S | S | . | . | trans | -85.7 | 161 | -175.4 | -168.2 | 29.7 | 0 | 0 | 0 | 112.9 | L26 P30 E31 L32 Q65 | L26-D28 PolarHBondContact O-N 3.38Å; D28-P30 WeakPolarHBondContact OD2-CD 3.41Å; D28-E31 PolarHBondContact O-N 2.88Å; D28-E31 VanDerWaalsContact O-N 3.12Å; D28-L32 PolarHBondContact O-N 3.41Å; D28-Q65 PolarHBondContact OD1-NE2 2.79Å | ||
| 29 | Q | 76 | Confident | 71.6 | Confident | 52 Ų | 52 | 73.5 Ų | 73.5 | 24% | 0.243 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -47.6 | -42.5 | -177.2 | -163.8 | 178.4 | 11.4 | 0 | 0 | 116 | E31 L32 L33 K63 F64 | Q29-E31 PolarHBondContact O-N 3.38Å; Q29-L32 PolarHBondContact O-N 2.76Å; Q29-L33 HydrophobicContact CG-CD1 3.74Å; Q29-L33 HydrophobicContact CG-CG 3.96Å; Q29-L33 VanDerWaalsContact O-CB 3.27Å; Q29-L33 WeakPolarHBondContact O-CB 3.37Å; Q29-L33 VanDerWaalsContact O-CG 3.23Å; Q29-L33 WeakPolarHBondContact O-CG 3.3Å; Q29-L33 PolarHBondContact O-N 3.41Å; Q29-K63 VanDerWaalsContact OE1-CG 3.3Å; Q29-F64 WeakPolarHBondContact CA-O 3.32Å; Q29-F64 VanDerWaalsContact CB-O 3.29Å; Q29-F64 WeakPolarHBondContact CB-O 3.43Å; Q29-F64 PolarHBondContact N-O 3.37Å |
| 30 | P | 72.6 | Confident | 72.7 | Confident | 84 Ų | 84 | 76.5 Ų | 76.5 | 55% | 0.545 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.9 | -33.6 | -179.4 | 26.1 | -34.3 | 0 | 0 | 0 | 113.1 | D28 S34 | D28-P30 WeakPolarHBondContact OD2-CD 3.41Å; P30-S34 WeakPolarHBondContact O-CB 3.28Å; P30-S34 PolarHBondContact O-N 2.88Å; P30-S34 VanDerWaalsContact O-N 3.1Å; P30-S34 PolarHBondContact O-OG 3.29Å |
| 31 | E | 76.9 | Confident | 73.7 | Confident | 72 Ų | 72 | 73.6 Ų | 73.6 | 34% | 0.336 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.6 | -46.8 | 177.4 | -161.1 | -173.6 | 172.9 | 0 | 0 | 110.1 | I27 D28 Q29 S34 Y83 L85 | I27-E31 HydrophobicContact CG2-CB 4.46Å; D28-E31 PolarHBondContact O-N 2.88Å; D28-E31 VanDerWaalsContact O-N 3.12Å; Q29-E31 PolarHBondContact O-N 3.38Å; E31-S34 PolarHBondContact O-N 3.18Å; E31-S34 PolarHBondContact O-OG 2.86Å; E31-Y83 WeakPolarHBondContact OE1-CE2 3.24Å; E31-Y83 PolarHBondContact OE1-OH 3.31Å; E31-Y83 WeakPolarHBondContact OE2-CE2 3.34Å; E31-Y83 PolarHBondContact OE2-OH 2.89Å; E31-L85 HydrophobicContact CG-CD1 3.77Å |
| 32 | L | 77.6 | Confident | 75.2 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.4 | -47.4 | 178 | -66.8 | 165.4 | 0 | 0 | 0 | 112.3 | I27 D28 Q29 S34 R35 L36 F64 I66 L85 L92 | I27-L32 HydrophobicContact CG2-CD1 4.23Å; I27-L32 HydrophobicContact CG2-CD2 3.87Å; I27-L32 HydrophobicContact CG2-CG 3.82Å; D28-L32 PolarHBondContact O-N 3.41Å; Q29-L32 PolarHBondContact O-N 2.76Å; L32-S34 VanDerWaalsContact C-N 3.3Å; L32-S34 PolarHBondContact O-N 3.05Å; L32-R35 PolarHBondContact O-N 3.4Å; L32-R35 VanDerWaalsContact O-N 3.14Å; L32-L36 PolarHBondContact O-N 2.91Å; L32-F64 HydrophobicContact CB-CD1 3.65Å; L32-F64 HydrophobicContact CB-CE1 3.72Å; L32-F64 HydrophobicContact CD1-CD1 3.72Å; L32-F64 HydrophobicContact CD1-CD2 4.47Å; L32-F64 HydrophobicContact CD1-CE1 3.78Å; L32-F64 HydrophobicContact CD1-CG 4.08Å; L32-F64 HydrophobicContact CD1-CZ 4.18Å; L32-F64 HydrophobicContact CD2-CE1 3.97Å; L32-F64 HydrophobicContact CD2-CZ 4.37Å; L32-F64 HydrophobicContact CG-CD1 4.18Å; L32-F64 HydrophobicContact CG-CE1 4.02Å; L32-I66 HydrophobicContact CD1-CD1 4.48Å; L32-I66 HydrophobicContact CD1-CG1 4.2Å; L32-I66 HydrophobicContact CD2-CD1 4.12Å; L32-L85 HydrophobicContact CD2-CD1 4.33Å; L32-L85 HydrophobicContact CD2-CD2 4.1Å; L32-L92 HydrophobicContact CD2-CD2 4.35Å |
| 33 | L | 74.4 | Confident | 76.3 | Confident | 77 Ų | 77 | 65.7 Ų | 65.7 | 40% | 0.403 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.4 | -38.7 | 176.6 | -76.1 | 176.3 | 0 | 0 | 0 | 112.2 | Q29 R35 L36 L1061 | Q29-L33 HydrophobicContact CG-CD1 3.74Å; Q29-L33 HydrophobicContact CG-CG 3.96Å; Q29-L33 VanDerWaalsContact O-CB 3.27Å; Q29-L33 WeakPolarHBondContact O-CB 3.37Å; Q29-L33 VanDerWaalsContact O-CG 3.23Å; Q29-L33 WeakPolarHBondContact O-CG 3.3Å; Q29-L33 PolarHBondContact O-N 3.41Å; L33-R35 PolarHBondContact O-N 2.69Å; L33-L36 HydrophobicContact CD2-CD1 3.73Å; L33-L36 PolarHBondContact O-N 3.27Å; L33-L1061 HydrophobicContact CD2-CD2 4.35Å |
| 34 | S | 75.4 | Confident | 77.1 | Confident | 86 Ų | 86 | 64 Ų | 64 | 60% | 0.601 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -14.5 | 179.6 | 78.1 | 0 | 0 | 0 | 0 | 114.1 | P30 E31 L32 | P30-S34 WeakPolarHBondContact O-CB 3.28Å; P30-S34 PolarHBondContact O-N 2.88Å; P30-S34 VanDerWaalsContact O-N 3.1Å; P30-S34 PolarHBondContact O-OG 3.29Å; E31-S34 PolarHBondContact O-N 3.18Å; E31-S34 PolarHBondContact O-OG 2.86Å; L32-S34 VanDerWaalsContact C-N 3.3Å; L32-S34 PolarHBondContact O-N 3.05Å |
| 35 | R | 77.4 | Confident | 77.5 | Confident | 141 Ų | 141 | 58.6 Ų | 58.6 | 53% | 0.532 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | 11.5 | -178.6 | -61.4 | -58.8 | -172.3 | 163 | 1.1 | 113.2 | L32 L33 L85 S87 L92 | L32-R35 PolarHBondContact O-N 3.4Å; L32-R35 VanDerWaalsContact O-N 3.14Å; L33-R35 PolarHBondContact O-N 2.69Å; R35-L85 HydrophobicContact CG-CB 4.46Å; R35-L85 HydrophobicContact CG-CD1 4.43Å; R35-S87 WeakPolarHBondContact O-CB 3.3Å; R35-S87 PolarHBondContact O-OG 2.92Å; R35-S87 VanDerWaalsContact O-OG 3.11Å; R35-L92 HydrophobicContact CB-CD1 3.97Å |
| 36 | L | 76.6 | Confident | 77.8 | Confident | 30 Ų | 30 | 57.6 Ų | 57.6 | 16% | 0.157 | 29% | 0.289 | C | S | . | . | trans | -68.5 | 137.2 | 176.3 | -77.2 | 178.7 | 0 | 0 | 0 | 111.6 | L32 L33 W42 L92 L1061 | L32-L36 PolarHBondContact O-N 2.91Å; L33-L36 HydrophobicContact CD2-CD1 3.73Å; L33-L36 PolarHBondContact O-N 3.27Å; L36-W42 HydrophobicContact CD2-CH2 3.48Å; L36-W42 VanDerWaalsContact CD2-CH2 3.48Å; L36-W42 HydrophobicContact CD2-CZ2 3.46Å; L36-W42 VanDerWaalsContact CD2-CZ2 3.46Å; L36-W42 HydrophobicContact CD2-CZ3 4.1Å; L36-L92 HydrophobicContact CD2-CD2 4.21Å; L36-L1061 HydrophobicContact CD1-CG 4.38Å | ||
| 37 | P | 75.1 | Confident | 78 | Confident | 14 Ų | 14 | 53.6 Ų | 53.6 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | trans | -61 | 152.1 | 169 | 22.1 | -30.8 | 0 | 0 | 0 | 112 | W42 E89 | P37-W42 HydrophobicContact CB-CB 4.22Å; P37-W42 HydrophobicContact CG-CB 3.36Å; P37-W42 HydrophobicContact CG-CD2 3.78Å; P37-W42 HydrophobicContact CG-CE3 4.02Å; P37-W42 HydrophobicContact CG-CG 3.51Å; P37-E89 WeakPolarHBondContact CB-O 3.37Å | ||
| 38 | H | 66.3 | Low | 78.1 | Confident | 197 Ų | 197 | 53.6 Ų | 53.6 | 91% | 0.912 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -88.1 | -5.3 | -178.4 | -70.3 | 77.9 | 0 | 0 | 0 | 113.6 | ||
| 39 | S | 66.4 | Low | 78.3 | Confident | 33 Ų | 33 | 52.6 Ų | 52.6 | 23% | 0.231 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -75.8 | 158.5 | 179.9 | 69.3 | 0 | 0 | 0 | 0 | 112.1 | S41 E89 D90 | S39-S41 PolarHBondContact O-N 3.18Å; S39-S41 PolarHBondContact OG-O 3.44Å; S39-E89 PolarHBondContact OG-O 2.87Å; S39-E89 VanDerWaalsContact OG-O 3.09Å; S39-D90 VanDerWaalsContact CB-OD1 3.22Å; S39-D90 WeakPolarHBondContact CB-OD1 3.34Å; S39-D90 PolarHBondContact OG-OD1 2.87Å |
| 40 | R | 64.8 | Low | 78.7 | Confident | 202 Ų | 202 | 51.7 Ų | 51.7 | 76% | 0.762 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -74.8 | -7.1 | -177.1 | -65.4 | -174.7 | -179.4 | -175.3 | 1.7 | 114 | ||
| 41 | S | 70.9 | Confident | 79.2 | Confident | 58 Ų | 58 | 50.7 Ų | 50.7 | 41% | 0.406 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -156.4 | 111.2 | -168.9 | 50.6 | 0 | 0 | 0 | 0 | 107.8 | S39 | S39-S41 PolarHBondContact O-N 3.18Å; S39-S41 PolarHBondContact OG-O 3.44Å |
| 42 | W | 82.2 | Confident | 79.7 | Confident | 6 Ų | 6 | 47.6 Ų | 47.6 | 2% | 0.023 | 24% | 0.235 | C | C | . | . | trans | -141.5 | 153.8 | -171.4 | 62.7 | -88.1 | 0 | 0 | 0 | 111.8 | L36 P37 L44 D90 L92 M1038 P1063 Q1064 | L36-W42 HydrophobicContact CD2-CH2 3.48Å; L36-W42 VanDerWaalsContact CD2-CH2 3.48Å; L36-W42 HydrophobicContact CD2-CZ2 3.46Å; L36-W42 VanDerWaalsContact CD2-CZ2 3.46Å; L36-W42 HydrophobicContact CD2-CZ3 4.1Å; P37-W42 HydrophobicContact CB-CB 4.22Å; P37-W42 HydrophobicContact CG-CB 3.36Å; P37-W42 HydrophobicContact CG-CD2 3.78Å; P37-W42 HydrophobicContact CG-CE3 4.02Å; P37-W42 HydrophobicContact CG-CG 3.51Å; W42-L44 HydrophobicContact CZ3-CB 3.94Å; W42-L44 HydrophobicContact CZ3-CD1 4.36Å; W42-D90 CarbonylContact C-O 3.53Å; W42-D90 WeakPolarHBondContact CA-O 3.05Å; W42-D90 WeakPolarHBondContact CB-O 3.27Å; W42-L92 HydrophobicContact CE3-CB 4.29Å; W42-L92 HydrophobicContact CZ3-CB 3.93Å; W42-L92 HydrophobicContact CZ3-CD2 4.47Å; W42-M1038 HydrophobicContact CH2-CE 3.56Å; W42-M1038 HydrophobicContact CZ2-CE 3.78Å; W42-P1063 HydrophobicContact CD2-CB 4.1Å; W42-P1063 HydrophobicContact CE3-CB 4.08Å; W42-P1063 HydrophobicContact CH2-CB 3.91Å; W42-P1063 HydrophobicContact CH2-CG 4.26Å; W42-P1063 HydrophobicContact CZ2-CB 3.9Å; W42-P1063 HydrophobicContact CZ2-CG 4.24Å; W42-P1063 HydrophobicContact CZ3-CB 4Å; W42-P1063 CarbonylContact O-C 3.5Å; W42-P1063 WeakPolarHBondContact O-CA 3.07Å; W42-P1063 WeakPolarHBondContact O-CB 3.43Å; W42-Q1064 PolarHBondContact O-N 2.93Å | ||
| 43 | D | 83.3 | Confident | 80.1 | Confident | 10 Ų | 10 | 48.9 Ų | 48.9 | 5% | 0.053 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 136.9 | -177.7 | -69.7 | -32.9 | 0 | 0 | 0 | 111.8 | I45 D90 S91 L92 T1065 Q1067 | D43-I45 HydrophobicContact CB-CG1 4.38Å; D43-D90 PolarHBondContact N-O 3.36Å; D43-S91 WeakPolarHBondContact O-CA 3.45Å; D43-L92 PolarHBondContact O-N 2.83Å; D43-T1065 WeakPolarHBondContact CA-O 3.45Å; D43-T1065 WeakPolarHBondContact OD1-CB 3.35Å; D43-T1065 PolarHBondContact OD1-N 2.87Å; D43-T1065 VanDerWaalsContact OD1-N 3.12Å; D43-T1065 PolarHBondContact OD1-OG1 2.9Å; D43-Q1067 VanDerWaalsContact CG-NE2 3.27Å; D43-Q1067 PolarHBondContact OD2-NE2 2.82Å |
| 44 | L | 87.2 | Confident | 80.8 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 120.9 | 171.1 | 178.1 | 63.3 | 0 | 0 | 0 | 109.3 | W42 F64 L92 V94 I1032 T1065 I1066 Q1067 | W42-L44 HydrophobicContact CZ3-CB 3.94Å; W42-L44 HydrophobicContact CZ3-CD1 4.36Å; L44-F64 HydrophobicContact CD1-CZ 4.22Å; L44-F64 HydrophobicContact CD2-CE2 4.3Å; L44-F64 HydrophobicContact CD2-CZ 4.1Å; L44-L92 HydrophobicContact CD1-CB 4.33Å; L44-L92 HydrophobicContact CD1-CD2 4.13Å; L44-L92 HydrophobicContact CD1-CG 4.21Å; L44-V94 HydrophobicContact CD1-CG2 4.48Å; L44-I1032 HydrophobicContact CD2-CG2 4.49Å; L44-T1065 PolarHBondContact N-O 3.14Å; L44-I1066 HydrophobicContact CB-CG1 4.36Å; L44-I1066 HydrophobicContact CB-CG2 4.47Å; L44-I1066 HydrophobicContact CD2-CG2 4.36Å; L44-I1066 HydrophobicContact CG-CG2 4.49Å; L44-I1066 CarbonylContact O-C 3.46Å; L44-I1066 WeakPolarHBondContact O-CA 3.3Å; L44-Q1067 PolarHBondContact O-N 3.32Å |
| 45 | I | 88.2 | Confident | 81.5 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 117.2 | -172.1 | -55.2 | -177.1 | 0 | 0 | 0 | 109.9 | D43 L92 F93 V94 Q1067 T1103 | D43-I45 HydrophobicContact CB-CG1 4.38Å; I45-L92 PolarHBondContact N-O 2.96Å; I45-F93 HydrophobicContact CB-CD1 3.93Å; I45-F93 HydrophobicContact CB-CE1 4.3Å; I45-F93 HydrophobicContact CB-CG 4.28Å; I45-F93 HydrophobicContact CD1-CD1 4.14Å; I45-F93 HydrophobicContact CD1-CE1 3.64Å; I45-F93 HydrophobicContact CD1-CE2 4.19Å; I45-F93 HydrophobicContact CD1-CZ 3.67Å; I45-F93 HydrophobicContact CG2-CD1 3.74Å; I45-F93 HydrophobicContact CG2-CE1 3.99Å; I45-F93 CarbonylContact O-C 3.44Å; I45-F93 WeakPolarHBondContact O-CA 3.33Å; I45-V94 PolarHBondContact O-N 2.78Å; I45-Q1067 WeakPolarHBondContact CA-O 3.34Å; I45-Q1067 HydrophobicContact CG1-CB 4.29Å; I45-T1103 HydrophobicContact CD1-CG2 4.1Å |
| 46 | L | 90.2 | Very high | 82 | Confident | 5 Ų | 5 | 35.7 Ų | 35.7 | 3% | 0.026 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 131.2 | 172.3 | -179.2 | 68.4 | 0 | 0 | 0 | 109.9 | V54 V94 V1030 I1032 Q1067 L1068 W1069 | L46-V54 HydrophobicContact CD2-CG1 3.96Å; L46-V54 HydrophobicContact CD2-CG2 4.25Å; L46-V94 HydrophobicContact CD1-CB 3.85Å; L46-V94 HydrophobicContact CD1-CG1 3.87Å; L46-V1030 HydrophobicContact CD2-CG1 4.2Å; L46-I1032 HydrophobicContact CD2-CD1 4.44Å; L46-Q1067 PolarHBondContact N-O 2.89Å; L46-L1068 HydrophobicContact CB-CD2 3.82Å; L46-L1068 HydrophobicContact CD2-CD2 4.08Å; L46-W1069 PolarHBondContact O-N 3.1Å |
| 47 | Q | 89.4 | Confident | 82.5 | Confident | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.019 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 106.9 | 172.9 | -66.6 | 168.8 | -2.3 | 0 | 0 | 108.9 | V94 L96 W1069 I1100 | Q47-V94 PolarHBondContact N-O 3.37Å; Q47-L96 PolarHBondContact O-N 3.2Å; Q47-W1069 HydrophobicContact CG-CB 4.33Å; Q47-I1100 PolarHBondContact NE2-O 2.98Å |
| 48 | N | 88.6 | Confident | 83 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 111 | 177.4 | 178.7 | 33.6 | 0 | 0 | 0 | 111.2 | Y50 L96 W1069 L1070 N1071 | N48-Y50 PolarHBondContact ND2-O 3.45Å; N48-Y50 WeakPolarHBondContact OD1-CB 3.46Å; N48-Y50 PolarHBondContact OD1-N 3.49Å; N48-L96 HydrophobicContact CB-CD1 4.42Å; N48-W1069 PolarHBondContact N-O 2.91Å; N48-L1070 HydrophobicContact CB-CD2 4.01Å; N48-N1071 PolarHBondContact O-N 3.23Å |
| 49 | P | 84.6 | Confident | 83.8 | Confident | 32 Ų | 32 | 27.4 Ų | 27.4 | 21% | 0.208 | 14% | 0.136 | C | C | . | . | trans | -83.8 | -12.2 | 173.6 | 31.5 | -31.7 | 0 | 0 | 0 | 114.2 | L96 N1071 | P49-L96 WeakPolarHBondContact CD-O 3.37Å; P49-L96 WeakPolarHBondContact CG-O 3.41Å; P49-N1071 WeakPolarHBondContact O-CB 3.1Å; P49-N1071 PolarHBondContact O-ND2 3.02Å | ||
| 50 | Y | 84 | Confident | 84.5 | Confident | 32 Ų | 32 | 31 Ų | 31 | 13% | 0.125 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -92.4 | 156.4 | -171.6 | -58.5 | -86.1 | 0 | 0 | 0 | 113.7 | N48 L81 L96 P98 Q1026 V1028 S1074 T1076 | N48-Y50 PolarHBondContact ND2-O 3.45Å; N48-Y50 WeakPolarHBondContact OD1-CB 3.46Å; N48-Y50 PolarHBondContact OD1-N 3.49Å; Y50-L81 HydrophobicContact CD2-CD1 4.13Å; Y50-L81 HydrophobicContact CE1-CD1 4.38Å; Y50-L81 HydrophobicContact CE2-CD1 3.27Å; Y50-L81 VanDerWaalsContact CZ-CD1 3.42Å; Y50-L81 VanDerWaalsContact OH-CD1 3.28Å; Y50-L81 WeakPolarHBondContact OH-CD1 3.16Å; Y50-L96 HydrophobicContact CD2-CB 4.37Å; Y50-L96 HydrophobicContact CE2-CB 4.17Å; Y50-P98 WeakPolarHBondContact OH-CB 3.48Å; Y50-P98 WeakPolarHBondContact OH-CD 3.31Å; Y50-P98 VanDerWaalsContact OH-N 3.12Å; Y50-Q1026 HydrophobicContact CD1-CB 4.31Å; Y50-V1028 HydrophobicContact CD1-CG2 4.42Å; Y50-V1028 HydrophobicContact CD2-CG2 4.31Å; Y50-V1028 HydrophobicContact CG-CG2 3.87Å; Y50-S1074 WeakPolarHBondContact O-CB 3.33Å; Y50-T1076 PolarHBondContact O-OG1 3.22Å; Y50-T1076 VanDerWaalsContact O-OG1 3.1Å |
| 51 | E | 84.9 | Confident | 85.4 | Confident | 64 Ų | 64 | 25.8 Ų | 25.8 | 30% | 0.299 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 150.9 | 171.9 | 174 | 165.4 | -152.1 | 0 | 0 | 111.8 | S1025 F1027 V1028 S1074 | E51-S1025 WeakPolarHBondContact OE2-CB 3.39Å; E51-S1025 PolarHBondContact OE2-OG 2.04Å; E51-F1027 HydrophobicContact CG-CD1 4.23Å; E51-F1027 HydrophobicContact CG-CD2 4.43Å; E51-F1027 HydrophobicContact CG-CE1 3.76Å; E51-F1027 HydrophobicContact CG-CE2 3.98Å; E51-F1027 HydrophobicContact CG-CZ 3.62Å; E51-F1027 CarbonylContact O-C 3.59Å; E51-F1027 WeakPolarHBondContact O-CA 3.3Å; E51-F1027 WeakPolarHBondContact OE1-CZ 3.07Å; E51-V1028 PolarHBondContact O-N 3.46Å; E51-S1074 VanDerWaalsContact CA-O 3.23Å; E51-S1074 WeakPolarHBondContact CA-O 3.36Å; E51-S1074 VanDerWaalsContact CB-O 3.27Å; E51-S1074 WeakPolarHBondContact CB-O 3.48Å; E51-S1074 VanDerWaalsContact CG-O 3.28Å; E51-S1074 WeakPolarHBondContact CG-O 3.48Å |
| 52 | G | 85.4 | Confident | 85.8 | Confident | 7 Ų | 7 | 25.8 Ų | 25.8 | 7% | 0.072 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 141.3 | -130.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | V1028 T1076 E1077 | G52-V1028 WeakPolarHBondContact CA-O 3.29Å; G52-T1076 WeakPolarHBondContact O-CA 3.46Å; G52-E1077 PolarHBondContact O-N 2.73Å |
| 53 | T | 87 | Confident | 85.8 | Confident | 27 Ų | 27 | 29.3 Ų | 29.3 | 17% | 0.166 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 137.1 | -166.5 | 30.9 | 0 | 0 | 0 | 0 | 111.7 | V1028 H1029 V1030 E1077 | T53-V1028 PolarHBondContact N-O 2.91Å; T53-H1029 CarbonylContact O-C 3.44Å; T53-H1029 WeakPolarHBondContact O-CA 3.44Å; T53-H1029 PolarHBondContact OG1-CD2 3.23Å; T53-V1030 PolarHBondContact O-N 3.49Å; T53-E1077 CarbonylContact C-O 3.58Å; T53-E1077 WeakPolarHBondContact CA-O 3.5Å; T53-E1077 HydrophobicContact CG2-CB 3.92Å |
| 54 | V | 89.4 | Confident | 85.9 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 107.7 | 173.6 | -179.2 | 0 | 0 | 0 | 0 | 109.4 | L46 V1030 L1068 T1076 E1077 V1078 R1079 | L46-V54 HydrophobicContact CD2-CG1 3.96Å; L46-V54 HydrophobicContact CD2-CG2 4.25Å; V54-V1030 CarbonylContact C-O 3.4Å; V54-V1030 WeakPolarHBondContact CA-O 3.16Å; V54-V1030 HydrophobicContact CG1-CB 4.44Å; V54-V1030 HydrophobicContact CG2-CB 4.28Å; V54-V1030 HydrophobicContact CG2-CG2 4.49Å; V54-L1068 HydrophobicContact CG1-CD1 4.16Å; V54-L1068 HydrophobicContact CG1-CD2 4.45Å; V54-T1076 HydrophobicContact CG2-CG2 3.82Å; V54-E1077 PolarHBondContact N-O 3.01Å; V54-V1078 HydrophobicContact CB-CG2 4.46Å; V54-V1078 CarbonylContact O-C 3.57Å; V54-V1078 WeakPolarHBondContact O-CA 3.13Å; V54-R1079 PolarHBondContact O-N 3.46Å |
| 55 | E | 89.3 | Confident | 85.9 | Confident | 26 Ų | 26 | 30.1 Ų | 30.1 | 12% | 0.121 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 138.2 | 171.9 | -172.6 | -174.3 | 136.5 | 0 | 0 | 111.1 | S57 Y970 V1030 T1031 I1032 R1079 | E55-S57 WeakPolarHBondContact OE1-CB 3.42Å; E55-S57 PolarHBondContact OE1-OG 3.01Å; E55-Y970 VanDerWaalsContact CD-OH 3.25Å; E55-Y970 HydrophobicContact CG-CD1 4.19Å; E55-Y970 HydrophobicContact CG-CE1 3.52Å; E55-Y970 VanDerWaalsContact OE1-CE1 3.24Å; E55-Y970 WeakPolarHBondContact OE1-CE1 3.19Å; E55-Y970 PolarHBondContact OE1-OH 3.22Å; E55-Y970 PolarHBondContact OE2-OH 3.48Å; E55-V1030 PolarHBondContact N-O 2.67Å; E55-T1031 HydrophobicContact CB-CG2 4.15Å; E55-T1031 HydrophobicContact CG-CG2 4.32Å; E55-T1031 CarbonylContact O-C 3.41Å; E55-T1031 WeakPolarHBondContact O-CA 3.44Å; E55-I1032 PolarHBondContact O-N 3.47Å; E55-R1079 CarbonylContact C-O 3.54Å; E55-R1079 WeakPolarHBondContact CA-O 3.35Å; E55-R1079 HydrophobicContact CB-CB 4.44Å; E55-R1079 HydrophobicContact CG-CB 4.41Å |
| 56 | I | 89.3 | Confident | 86 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 119.9 | 169.1 | -48.3 | -178.7 | 0 | 0 | 0 | 108.5 | I1032 L1034 I1066 L1068 R1079 A1081 I1084 I1089 | I56-I1032 HydrophobicContact CG1-CB 4.39Å; I56-I1032 HydrophobicContact CG1-CD1 4.31Å; I56-I1032 HydrophobicContact CG2-CB 4.29Å; I56-I1032 HydrophobicContact CG2-CG2 4.43Å; I56-L1034 HydrophobicContact CG2-CD1 3.94Å; I56-I1066 HydrophobicContact CD1-CG2 4.16Å; I56-I1066 HydrophobicContact CG2-CD1 4.48Å; I56-L1068 HydrophobicContact CD1-CD1 4.26Å; I56-L1068 HydrophobicContact CD1-CD2 4.38Å; I56-R1079 PolarHBondContact N-O 2.86Å; I56-A1081 WeakPolarHBondContact O-CB 3.24Å; I56-A1081 PolarHBondContact O-N 3.43Å; I56-I1084 HydrophobicContact CB-CD1 4.43Å; I56-I1084 HydrophobicContact CG2-CD1 3.68Å; I56-I1089 HydrophobicContact CD1-CD1 3.93Å; I56-I1089 HydrophobicContact CD1-CG1 4.27Å; I56-I1089 HydrophobicContact CD1-CG2 4.41Å |
| 57 | S | 86.8 | Confident | 86 | Confident | 5 Ų | 5 | 31.3 Ų | 31.3 | 4% | 0.035 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 159.2 | -174.4 | 48.5 | 0 | 0 | 0 | 0 | 115.1 | E55 S59 I1032 W1033 L1034 | E55-S57 WeakPolarHBondContact OE1-CB 3.42Å; E55-S57 PolarHBondContact OE1-OG 3.01Å; S57-S59 PolarHBondContact O-N 2.81Å; S57-I1032 PolarHBondContact N-O 2.58Å; S57-W1033 WeakPolarHBondContact O-CA 3.41Å; S57-W1033 PolarHBondContact OG-NE1 2.61Å; S57-L1034 PolarHBondContact O-N 3.21Å |
| 58 | E | 85.1 | Confident | 85.9 | Confident | 60 Ų | 60 | 31.2 Ų | 31.2 | 28% | 0.28 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 127.1 | 174.3 | 178.6 | -177.4 | 142.5 | 0 | 0 | 109.7 | P60 K1036 I1039 P1083 | E58-P60 WeakPolarHBondContact O-CD 3.46Å; E58-K1036 HydrophobicContact CG-CG 4.29Å; E58-K1036 WeakPolarHBondContact OE1-CE 3.41Å; E58-K1036 IonicContact OE1-NZ 3.68Å; E58-I1039 HydrophobicContact CB-CD1 4.22Å; E58-I1039 HydrophobicContact CG-CD1 4.07Å; E58-P1083 WeakPolarHBondContact OE2-CD 3.41Å |
| 59 | S | 83.4 | Confident | 85.8 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | trans | -65.1 | 118.4 | -178.6 | -179.3 | 0 | 0 | 0 | 0 | 111.4 | S57 V61 D62 K63 L1034 | S57-S59 PolarHBondContact O-N 2.81Å; S59-V61 PolarHBondContact O-N 2.7Å; S59-V61 VanDerWaalsContact O-N 3.12Å; S59-D62 PolarHBondContact O-N 2.95Å; S59-D62 PolarHBondContact OG-N 2.72Å; S59-K63 WeakPolarHBondContact CB-O 3.13Å; S59-K63 PolarHBondContact OG-N 3.41Å; S59-K63 VanDerWaalsContact OG-N 3.07Å; S59-K63 PolarHBondContact OG-O 2.99Å; S59-L1034 WeakPolarHBondContact CB-O 3.35Å; S59-L1034 PolarHBondContact N-O 2.93Å | ||
| 60 | P | 80.6 | Confident | 85.6 | Confident | 109 Ų | 109 | 31.7 Ų | 31.7 | 71% | 0.708 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -15.9 | 177.9 | 27.4 | -34.6 | 0 | 0 | 0 | 112.9 | E58 | E58-P60 WeakPolarHBondContact O-CD 3.46Š|
| 61 | V | 83.1 | Confident | 85.1 | Confident | 91 Ų | 91 | 33 Ų | 33 | 55% | 0.552 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | 9.2 | -176.8 | -64.6 | 0 | 0 | 0 | 0 | 113.8 | S59 K63 | S59-V61 PolarHBondContact O-N 2.7Å; S59-V61 VanDerWaalsContact O-N 3.12Å; V61-K63 HydrophobicContact CG2-CB 3.99Å; V61-K63 HydrophobicContact CG2-CD 4.3Å; V61-K63 HydrophobicContact CG2-CG 3.96Å; V61-K63 PolarHBondContact O-N 2.76Å |
| 62 | D | 80.9 | Confident | 84 | Confident | 58 Ų | 58 | 30.6 Ų | 30.6 | 31% | 0.31 | 17% | 0.174 | S | C | . | . | S | Bend | trans | 49.1 | 36.3 | -174.2 | -154.6 | 43 | 0 | 0 | 0 | 114.2 | S59 P1035 K1036 K1037 | S59-D62 PolarHBondContact O-N 2.95Å; S59-D62 PolarHBondContact OG-N 2.72Å; D62-P1035 WeakPolarHBondContact O-CB 3.49Å; D62-P1035 WeakPolarHBondContact OD1-CA 3.49Å; D62-P1035 VanDerWaalsContact OD1-CB 3.28Å; D62-P1035 WeakPolarHBondContact OD1-CB 3.42Å; D62-K1036 PolarHBondContact OD1-N 3.26Å; D62-K1037 IonicContact OD2-NZ 3.73Å; D62-K1037 PolarHBondContact OD2-NZ 2.63Å |
| 63 | K | 81.4 | Confident | 82.4 | Confident | 81 Ų | 81 | 37.3 Ų | 37.3 | 35% | 0.352 | 21% | 0.208 | S | C | . | . | trans | -112 | 153.1 | 170.4 | -61.4 | -168.9 | 173 | -173.3 | 0 | 111.9 | Q29 S59 V61 Q65 | Q29-K63 VanDerWaalsContact OE1-CG 3.3Å; S59-K63 WeakPolarHBondContact CB-O 3.13Å; S59-K63 PolarHBondContact OG-N 3.41Å; S59-K63 VanDerWaalsContact OG-N 3.07Å; S59-K63 PolarHBondContact OG-O 2.99Å; V61-K63 HydrophobicContact CG2-CB 3.99Å; V61-K63 HydrophobicContact CG2-CD 4.3Å; V61-K63 HydrophobicContact CG2-CG 3.96Å; V61-K63 PolarHBondContact O-N 2.76Å; K63-Q65 HydrophobicContact CB-CG 4.15Å | ||
| 64 | F | 85.9 | Confident | 80.8 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.009 | 23% | 0.234 | C | C | . | . | trans | -88.6 | 118.2 | 165.3 | -177.8 | -141.5 | 0 | 0 | 0 | 109.5 | Q29 L32 L44 I66 L92 I1032 W1033 L1034 P1035 M1038 | Q29-F64 WeakPolarHBondContact CA-O 3.32Å; Q29-F64 VanDerWaalsContact CB-O 3.29Å; Q29-F64 WeakPolarHBondContact CB-O 3.43Å; Q29-F64 PolarHBondContact N-O 3.37Å; L32-F64 HydrophobicContact CB-CD1 3.65Å; L32-F64 HydrophobicContact CB-CE1 3.72Å; L32-F64 HydrophobicContact CD1-CD1 3.72Å; L32-F64 HydrophobicContact CD1-CD2 4.47Å; L32-F64 HydrophobicContact CD1-CE1 3.78Å; L32-F64 HydrophobicContact CD1-CG 4.08Å; L32-F64 HydrophobicContact CD1-CZ 4.18Å; L32-F64 HydrophobicContact CD2-CE1 3.97Å; L32-F64 HydrophobicContact CD2-CZ 4.37Å; L32-F64 HydrophobicContact CG-CD1 4.18Å; L32-F64 HydrophobicContact CG-CE1 4.02Å; L44-F64 HydrophobicContact CD1-CZ 4.22Å; L44-F64 HydrophobicContact CD2-CE2 4.3Å; L44-F64 HydrophobicContact CD2-CZ 4.1Å; F64-I66 HydrophobicContact CE2-CG1 4.4Å; F64-I66 HydrophobicContact CZ-CD1 4.36Å; F64-L92 HydrophobicContact CE1-CD2 4.27Å; F64-I1032 HydrophobicContact CE2-CG2 4.22Å; F64-W1033 WeakPolarHBondContact CA-O 3.25Å; F64-W1033 WeakPolarHBondContact CD2-O 3.42Å; F64-L1034 HydrophobicContact CD2-CD2 3.89Å; F64-L1034 HydrophobicContact CE2-CD2 3.76Å; F64-P1035 HydrophobicContact CB-CG 4.16Å; F64-M1038 HydrophobicContact CB-SD 3.96Å; F64-M1038 HydrophobicContact CD1-CE 3.59Å; F64-M1038 HydrophobicContact CD1-SD 4.07Å; F64-M1038 HydrophobicContact CD2-CE 3.8Å; F64-M1038 HydrophobicContact CD2-SD 4.14Å; F64-M1038 HydrophobicContact CE1-CE 3.57Å; F64-M1038 HydrophobicContact CE2-CE 3.79Å; F64-M1038 HydrophobicContact CG-CE 3.72Å; F64-M1038 HydrophobicContact CG-SD 3.81Å; F64-M1038 HydrophobicContact CZ-CE 3.68Å | ||
| 65 | Q | 87.4 | Confident | 79 | Confident | 26 Ų | 26 | 44.3 Ų | 44.3 | 12% | 0.121 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 148.1 | -177.1 | -71.1 | -177.3 | -34.1 | 0 | 0 | 109.8 | L26 I27 D28 K63 W1033 | L26-Q65 HydrophobicContact CD1-CB 4.35Å; I27-Q65 WeakPolarHBondContact O-CA 3.16Å; D28-Q65 PolarHBondContact OD1-NE2 2.79Å; K63-Q65 HydrophobicContact CB-CG 4.15Å; Q65-W1033 HydrophobicContact CB-CE3 4.03Å; Q65-W1033 PolarHBondContact N-O 3.32Å; Q65-W1033 PolarHBondContact O-N 3.28Å |
| 66 | I | 89.6 | Confident | 77.2 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 119.5 | 173.1 | -56.4 | 176.5 | 0 | 0 | 0 | 108.5 | I27 L32 F64 V68 V94 V1030 T1031 I1032 | I27-I66 HydrophobicContact CB-CB 4.25Å; I27-I66 HydrophobicContact CD1-CB 4.28Å; I27-I66 HydrophobicContact CD1-CG2 4.42Å; I27-I66 HydrophobicContact CG1-CB 4.45Å; I27-I66 PolarHBondContact N-O 2.98Å; I27-I66 PolarHBondContact O-N 3Å; L32-I66 HydrophobicContact CD1-CD1 4.48Å; L32-I66 HydrophobicContact CD1-CG1 4.2Å; L32-I66 HydrophobicContact CD2-CD1 4.12Å; F64-I66 HydrophobicContact CE2-CG1 4.4Å; F64-I66 HydrophobicContact CZ-CD1 4.36Å; I66-V68 HydrophobicContact CG2-CG2 4.36Å; I66-V94 HydrophobicContact CD1-CG2 3.94Å; I66-V1030 HydrophobicContact CG2-CG1 3.99Å; I66-T1031 WeakPolarHBondContact CA-O 3.27Å; I66-I1032 HydrophobicContact CG1-CG1 4.38Å; I66-I1032 HydrophobicContact CG1-CG2 4.36Å; I66-I1032 HydrophobicContact CG2-CG1 4.29Å |
| 67 | L | 89.3 | Confident | 75.4 | Confident | 29 Ų | 29 | 50.4 Ų | 50.4 | 15% | 0.152 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 137.6 | 170.9 | -172.4 | 70.4 | 0 | 0 | 0 | 109.4 | L24 I25 L26 V1030 T1031 W1033 | L24-L67 HydrophobicContact CD1-CD1 3.88Å; L24-L67 HydrophobicContact CD1-CD2 4.33Å; L24-L67 HydrophobicContact CD1-CG 4.27Å; L24-L67 HydrophobicContact CD2-CD1 4.18Å; L24-L67 HydrophobicContact CG-CD1 3.86Å; I25-L67 CarbonylContact O-C 3.57Å; L26-L67 HydrophobicContact CB-CD1 4.28Å; L26-L67 HydrophobicContact CD1-CD1 4.21Å; L67-V1030 CarbonylContact O-C 3.49Å; L67-V1030 WeakPolarHBondContact O-CA 3.31Å; L67-T1031 PolarHBondContact N-O 2.68Å; L67-T1031 PolarHBondContact O-N 2.92Å; L67-W1033 HydrophobicContact CB-CH2 4.07Å; L67-W1033 HydrophobicContact CB-CZ3 3.9Å; L67-W1033 HydrophobicContact CD2-CH2 3.86Å; L67-W1033 HydrophobicContact CD2-CZ3 4.44Å |
| 68 | V | 88.5 | Confident | 73.7 | Confident | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.012 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 111.5 | 168.5 | -175.8 | 0 | 0 | 0 | 0 | 107.2 | I25 I66 I70 L81 L96 V1028 V1030 | I25-V68 HydrophobicContact CB-CB 4.27Å; I25-V68 PolarHBondContact N-O 2.72Å; I25-V68 PolarHBondContact O-N 3.01Å; I66-V68 HydrophobicContact CG2-CG2 4.36Å; V68-I70 HydrophobicContact CG1-CG1 4.35Å; V68-L81 HydrophobicContact CG1-CD2 4.01Å; V68-L96 HydrophobicContact CG2-CD2 4.33Å; V68-V1028 HydrophobicContact CG1-CG1 3.55Å; V68-V1030 HydrophobicContact CG1-CG2 4.35Å; V68-V1030 HydrophobicContact CG2-CG1 4.32Å; V68-V1030 HydrophobicContact CG2-CG2 4.31Å |
| 69 | N | 85.3 | Confident | 72.5 | Confident | 42 Ų | 42 | 55.8 Ų | 55.8 | 23% | 0.225 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 127.2 | 175 | -175.8 | 47.6 | 0 | 0 | 0 | 109.4 | L24 H1029 | L24-N69 HydrophobicContact CD1-CB 3.75Å; L24-N69 VanDerWaalsContact CD1-OD1 3.31Å; L24-N69 WeakPolarHBondContact CD1-OD1 3.34Å; N69-H1029 HydrophobicContact CB-CB 4.37Å; N69-H1029 PolarHBondContact N-O 3.25Å; N69-H1029 PolarHBondContact O-N 2.92Å |
| 70 | I | 80.4 | Confident | 71.7 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 121.7 | -175.1 | -54.6 | 152.9 | 0 | 0 | 0 | 107.9 | D22 E23 I25 V68 L81 | D22-I70 WeakPolarHBondContact CA-O 3.37Å; E23-I70 HydrophobicContact CB-CB 4.37Å; E23-I70 HydrophobicContact CB-CD1 3.86Å; E23-I70 HydrophobicContact CG-CD1 3.95Å; E23-I70 PolarHBondContact N-O 3.23Å; E23-I70 WeakPolarHBondContact O-CB 3.29Å; E23-I70 WeakPolarHBondContact O-CD1 3.45Å; E23-I70 WeakPolarHBondContact O-CG1 3.45Å; E23-I70 PolarHBondContact O-N 2.92Å; I25-I70 HydrophobicContact CD1-CD1 4.02Å; I25-I70 HydrophobicContact CG1-CD1 4.45Å; V68-I70 HydrophobicContact CG1-CG1 4.35Å; I70-L81 HydrophobicContact CD1-CB 3.55Å; I70-L81 HydrophobicContact CD1-CD2 3.61Å; I70-L81 HydrophobicContact CD1-CG 4.16Å; I70-L81 HydrophobicContact CG1-CB 4.43Å; I70-L81 HydrophobicContact CG1-CD2 3.7Å |
| 71 | T | 73.7 | Confident | 71.4 | Confident | 58 Ų | 58 | 58 Ų | 58 | 36% | 0.356 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 117.3 | 177.5 | 54.9 | 0 | 0 | 0 | 0 | 109.1 | F1027 | T71-F1027 PolarHBondContact N-O 3.09Å; T71-F1027 WeakPolarHBondContact O-CB 3.39Å; T71-F1027 PolarHBondContact O-N 2.91Å; T71-F1027 VanDerWaalsContact O-N 3.15Å; T71-F1027 WeakPolarHBondContact OG1-CB 3.44Å; T71-F1027 PolarHBondContact OG1-O 3.39Å |
| 72 | G | 62.6 | Low | 71.4 | Confident | 14 Ų | 14 | 58 Ų | 58 | 14% | 0.144 | 29% | 0.287 | C | S | . | . | trans | -162.9 | 128.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | H74 | G72-H74 PolarHBondContact O-N 3.32Š| ||
| 73 | N | 52.2 | Low | 71.6 | Confident | 148 Ų | 148 | 58.2 Ų | 58.2 | 79% | 0.791 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -0.5 | -174.5 | -65.7 | 3.3 | 0 | 0 | 0 | 114.7 | ||
| 74 | H | 51.7 | Low | 71.8 | Confident | 153 Ų | 153 | 60.6 Ų | 60.6 | 71% | 0.708 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -156.4 | 41.9 | -171.8 | -138.2 | -80.6 | 0 | 0 | 0 | 115.4 | G72 S76 | G72-H74 PolarHBondContact O-N 3.32Å; H74-S76 PolarHBondContact O-N 3.48Å; H74-S76 VanDerWaalsContact O-N 3.08Å |
| 75 | L | 52.3 | Low | 71.7 | Confident | 21 Ų | 21 | 61.6 Ų | 61.6 | 11% | 0.11 | 30% | 0.297 | C | S | . | . | trans | -60.2 | 113.5 | 158.4 | -108.4 | 72.2 | 0 | 0 | 0 | 108.1 | Q1026 | L75-Q1026 HydrophobicContact CD1-CG 4.13Š| ||
| 76 | S | 50.7 | Low | 71.5 | Confident | 50 Ų | 50 | 64 Ų | 64 | 35% | 0.35 | 30% | 0.304 | S | S | . | . | trans | -68.9 | 149.6 | 164.6 | 73.6 | 0 | 0 | 0 | 0 | 108.8 | H74 H78 E79 | H74-S76 PolarHBondContact O-N 3.48Å; H74-S76 VanDerWaalsContact O-N 3.08Å; S76-H78 PolarHBondContact O-N 2.9Å; S76-E79 PolarHBondContact O-N 2.94Å; S76-E79 VanDerWaalsContact O-N 3.14Å | ||
| 77 | D | 52.8 | Low | 71 | Confident | 105 Ų | 105 | 66.4 Ų | 66.4 | 56% | 0.561 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 1.8 | 179.6 | -77.9 | -54.1 | 0 | 0 | 0 | 113.7 | R19 | R19-D77 IonicContact CZ-OD2 3.54Å; R19-D77 IonicContact NH1-OD1 3.65Å; R19-D77 IonicContact NH1-OD2 2.72Å; R19-D77 PolarHBondContact NH1-OD2 3.17Å; R19-D77 IonicContact NH2-OD2 3.57Å |
| 78 | H | 50.9 | Low | 70.4 | Confident | 118 Ų | 118 | 68.2 Ų | 68.2 | 55% | 0.546 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | -19.5 | -179.5 | -59.7 | -53.3 | 0 | 0 | 0 | 115.6 | S76 S101 | S76-H78 PolarHBondContact O-N 2.9Å; H78-S101 WeakPolarHBondContact CA-OG 3.38Å; H78-S101 PolarHBondContact O-N 3.38Å; H78-S101 PolarHBondContact O-OG 3.26Å |
| 79 | E | 60.2 | Low | 69.8 | Low | 59 Ų | 59 | 74.1 Ų | 74.1 | 28% | 0.276 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 122 | 175.2 | -74 | -174 | -176.6 | 0 | 0 | 110 | S76 F100 Q1026 | S76-E79 PolarHBondContact O-N 2.94Å; S76-E79 VanDerWaalsContact O-N 3.14Å; E79-F100 HydrophobicContact CG-CD1 4.03Å; E79-F100 HydrophobicContact CG-CE1 3.8Å; E79-F100 WeakPolarHBondContact OE1-CE1 3.5Å; E79-Q1026 PolarHBondContact OE2-NE2 3.26Å |
| 80 | R | 65.5 | Low | 69.5 | Low | 151 Ų | 151 | 74.7 Ų | 74.7 | 57% | 0.57 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 138.5 | 169.7 | -65.4 | -176.4 | 72.2 | 165.3 | 1.7 | 110.3 | E23 Q99 | E23-R80 IonicContact OE1-CZ 2.78Å; E23-R80 VanDerWaalsContact OE1-CZ 3.26Å; E23-R80 IonicContact OE1-NE 2.69Å; E23-R80 PolarHBondContact OE1-NE 2.94Å; E23-R80 IonicContact OE1-NH2 3.18Å; E23-R80 PolarHBondContact OE1-NH2 3.47Å; E23-R80 IonicContact OE2-NE 3.1Å; R80-Q99 PolarHBondContact N-O 3.3Å; R80-Q99 PolarHBondContact O-N 2.95Å |
| 81 | L | 75.9 | Confident | 69.6 | Low | 8 Ų | 8 | 74.9 Ų | 74.9 | 4% | 0.042 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 139.3 | 176.2 | -172 | 65.8 | 0 | 0 | 0 | 109.4 | Y50 V68 I70 L96 V1028 | Y50-L81 HydrophobicContact CD2-CD1 4.13Å; Y50-L81 HydrophobicContact CE1-CD1 4.38Å; Y50-L81 HydrophobicContact CE2-CD1 3.27Å; Y50-L81 VanDerWaalsContact CZ-CD1 3.42Å; Y50-L81 VanDerWaalsContact OH-CD1 3.28Å; Y50-L81 WeakPolarHBondContact OH-CD1 3.16Å; V68-L81 HydrophobicContact CG1-CD2 4.01Å; I70-L81 HydrophobicContact CD1-CB 3.55Å; I70-L81 HydrophobicContact CD1-CD2 3.61Å; I70-L81 HydrophobicContact CD1-CG 4.16Å; I70-L81 HydrophobicContact CG1-CB 4.43Å; I70-L81 HydrophobicContact CG1-CD2 3.7Å; L81-L96 HydrophobicContact CD1-CB 4.41Å; L81-L96 HydrophobicContact CD2-CD2 4.43Å; L81-V1028 HydrophobicContact CD2-CG1 4.43Å; L81-V1028 HydrophobicContact CD2-CG2 4.41Å |
| 82 | K | 81.7 | Confident | 70.2 | Confident | 90 Ų | 90 | 72.1 Ų | 72.1 | 39% | 0.391 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 155 | 167.2 | -77.4 | -167.1 | 170.9 | 175.8 | 0 | 111.7 | Y97 Q99 | K82-Y97 HydrophobicContact CB-CD1 4.38Å; K82-Y97 HydrophobicContact CB-CE1 3.68Å; K82-Y97 HydrophobicContact CB-CE2 3.98Å; K82-Y97 VanDerWaalsContact CB-CZ 3.45Å; K82-Y97 WeakPolarHBondContact CB-OH 3.34Å; K82-Y97 PolarHBondContact N-O 2.95Å; K82-Y97 VanDerWaalsContact O-CD1 3.3Å; K82-Y97 WeakPolarHBondContact O-CD1 3.33Å; K82-Y97 PolarHBondContact O-N 2.99Å; K82-Y97 VanDerWaalsContact O-O 3.13Å; K82-Q99 HydrophobicContact CD-CB 4.21Å; K82-Q99 HydrophobicContact CG-CB 4.42Å |
| 83 | Y | 85.9 | Confident | 71.3 | Confident | 63 Ų | 63 | 71.8 Ų | 71.8 | 25% | 0.247 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 152.2 | 168.5 | 68.2 | -79.1 | 0 | 0 | 0 | 109.9 | I25 I27 E31 L85 E95 | I25-Y83 HydrophobicContact CG2-CD1 3.64Å; I25-Y83 HydrophobicContact CG2-CE1 3.64Å; I27-Y83 HydrophobicContact CD1-CD1 4.38Å; I27-Y83 HydrophobicContact CD1-CD2 3.47Å; I27-Y83 VanDerWaalsContact CD1-CD2 3.47Å; I27-Y83 HydrophobicContact CD1-CE2 3.87Å; I27-Y83 HydrophobicContact CD1-CG 3.75Å; I27-Y83 HydrophobicContact CG1-CD1 4.36Å; I27-Y83 HydrophobicContact CG1-CD2 3.95Å; I27-Y83 HydrophobicContact CG1-CE1 4.29Å; I27-Y83 HydrophobicContact CG1-CE2 3.86Å; I27-Y83 HydrophobicContact CG1-CG 4.19Å; I27-Y83 HydrophobicContact CG2-CE2 3.99Å; E31-Y83 WeakPolarHBondContact OE1-CE2 3.24Å; E31-Y83 PolarHBondContact OE1-OH 3.31Å; E31-Y83 WeakPolarHBondContact OE2-CE2 3.34Å; E31-Y83 PolarHBondContact OE2-OH 2.89Å; Y83-L85 HydrophobicContact CD2-CG 4.15Å; Y83-L85 HydrophobicContact CE2-CD1 4.39Å; Y83-L85 HydrophobicContact CE2-CG 4.26Å; Y83-E95 CarbonylContact C-O 3.4Å; Y83-E95 VanDerWaalsContact CA-O 3.27Å; Y83-E95 WeakPolarHBondContact CA-O 3.41Å |
| 84 | R | 84.7 | Confident | 73.1 | Confident | 132 Ų | 132 | 64.9 Ų | 64.9 | 50% | 0.498 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 121.9 | 168.4 | -179.5 | 172.4 | -174.9 | -175.4 | 5.9 | 108.6 | R86 E95 Y97 | R84-R86 HydrophobicContact CG-CG 4.13Å; R84-E95 HydrophobicContact CB-CB 4.28Å; R84-E95 WeakPolarHBondContact CD-OE2 3.46Å; R84-E95 PolarHBondContact N-O 3.43Å; R84-E95 PolarHBondContact O-N 3.12Å; R84-Y97 HydrophobicContact CB-CD1 4.23Å; R84-Y97 HydrophobicContact CB-CE1 3.75Å |
| 85 | L | 85 | Confident | 74.8 | Confident | 23 Ų | 23 | 58.4 Ų | 58.4 | 12% | 0.12 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 124.6 | 168.1 | -61.4 | 176.8 | 0 | 0 | 0 | 108.8 | I27 E31 L32 R35 Y83 F93 V94 | I27-L85 HydrophobicContact CG2-CD1 4.2Å; E31-L85 HydrophobicContact CG-CD1 3.77Å; L32-L85 HydrophobicContact CD2-CD1 4.33Å; L32-L85 HydrophobicContact CD2-CD2 4.1Å; R35-L85 HydrophobicContact CG-CB 4.46Å; R35-L85 HydrophobicContact CG-CD1 4.43Å; Y83-L85 HydrophobicContact CD2-CG 4.15Å; Y83-L85 HydrophobicContact CE2-CD1 4.39Å; Y83-L85 HydrophobicContact CE2-CG 4.26Å; L85-F93 WeakPolarHBondContact CA-O 3.45Å; L85-V94 HydrophobicContact CD2-CB 4.43Å; L85-V94 HydrophobicContact CD2-CG1 4.35Å; L85-V94 HydrophobicContact CD2-CG2 3.85Å |
| 86 | R | 82.2 | Confident | 76.4 | Confident | 75 Ų | 75 | 57.7 Ų | 57.7 | 28% | 0.283 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 141.2 | 167 | -40.4 | -178 | -176.3 | -164.6 | 6.7 | 108.1 | R84 F93 E95 | R84-R86 HydrophobicContact CG-CG 4.13Å; R86-F93 HydrophobicContact CB-CB 4.07Å; R86-F93 PolarHBondContact N-O 3.01Å; R86-F93 PolarHBondContact O-N 3.42Å; R86-E95 IonicContact CZ-OE1 2.73Å; R86-E95 IonicContact CZ-OE2 3.76Å; R86-E95 IonicContact NE-OE2 3.81Å; R86-E95 PolarHBondContact NE-OE2 2.8Å; R86-E95 IonicContact NH2-OE1 2.85Å; R86-E95 PolarHBondContact NH2-OE1 3.09Å; R86-E95 IonicContact NH2-OE2 3.64Å; R86-E95 PolarHBondContact NH2-OE2 2.81Å |
| 87 | S | 79 | Confident | 77.9 | Confident | 53 Ų | 53 | 59 Ų | 59 | 37% | 0.371 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 140.2 | 171.3 | -170 | 0 | 0 | 0 | 0 | 109.8 | R35 S91 | R35-S87 WeakPolarHBondContact O-CB 3.3Å; R35-S87 PolarHBondContact O-OG 2.92Å; R35-S87 VanDerWaalsContact O-OG 3.11Å; S87-S91 WeakPolarHBondContact CA-O 3.49Å |
| 88 | T | 78.1 | Confident | 79 | Confident | 67 Ų | 67 | 56.3 Ų | 56.3 | 41% | 0.411 | 26% | 0.259 | S | S | . | . | trans | -109.7 | -171.8 | 162.9 | 61.9 | 0 | 0 | 0 | 0 | 109.1 | D90 S91 F93 | T88-D90 VanDerWaalsContact C-N 3.27Å; T88-D90 PolarHBondContact O-N 3.21Å; T88-S91 PolarHBondContact N-O 2.97Å; T88-S91 WeakPolarHBondContact OG1-CB 3.41Å; T88-S91 PolarHBondContact OG1-N 3.33Å; T88-S91 PolarHBondContact OG1-O 2.86Å; T88-F93 HydrophobicContact CG2-CD2 4.46Å; T88-F93 HydrophobicContact CG2-CE2 3.73Å | ||
| 89 | E | 75.5 | Confident | 79.7 | Confident | 126 Ų | 126 | 54.7 Ų | 54.7 | 59% | 0.589 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -62.5 | -31.8 | 177.9 | -59.1 | 175.6 | 132 | 0 | 0 | 113.3 | P37 S39 R1104 | P37-E89 WeakPolarHBondContact CB-O 3.37Å; S39-E89 PolarHBondContact OG-O 2.87Å; S39-E89 VanDerWaalsContact OG-O 3.09Å; E89-R1104 IonicContact OE2-CZ 3.18Å; E89-R1104 IonicContact OE2-NH1 2.71Å; E89-R1104 PolarHBondContact OE2-NH1 2.84Å; E89-R1104 IonicContact OE2-NH2 2.73Å; E89-R1104 PolarHBondContact OE2-NH2 3.46Å |
| 90 | D | 78.3 | Confident | 79.6 | Confident | 54 Ų | 54 | 58.4 Ų | 58.4 | 29% | 0.289 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -129.7 | 9.1 | -171.7 | -60.2 | -42.4 | 0 | 0 | 0 | 113.5 | S39 W42 D43 T88 R1104 | S39-D90 VanDerWaalsContact CB-OD1 3.22Å; S39-D90 WeakPolarHBondContact CB-OD1 3.34Å; S39-D90 PolarHBondContact OG-OD1 2.87Å; W42-D90 CarbonylContact C-O 3.53Å; W42-D90 WeakPolarHBondContact CA-O 3.05Å; W42-D90 WeakPolarHBondContact CB-O 3.27Å; D43-D90 PolarHBondContact N-O 3.36Å; T88-D90 VanDerWaalsContact C-N 3.27Å; T88-D90 PolarHBondContact O-N 3.21Å; D90-R1104 IonicContact OD2-CZ 2.69Å; D90-R1104 IonicContact OD2-NE 2.72Å; D90-R1104 IonicContact OD2-NH2 3.76Å; D90-R1104 PolarHBondContact OD2-NH2 3.32Å |
| 91 | S | 82.6 | Confident | 78.7 | Confident | 5 Ų | 5 | 53.9 Ų | 53.9 | 4% | 0.035 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 139.8 | -177.8 | -46.3 | 0 | 0 | 0 | 0 | 114 | D43 S87 T88 | D43-S91 WeakPolarHBondContact O-CA 3.45Å; S87-S91 WeakPolarHBondContact CA-O 3.49Å; T88-S91 PolarHBondContact N-O 2.97Å; T88-S91 WeakPolarHBondContact OG1-CB 3.41Å; T88-S91 PolarHBondContact OG1-N 3.33Å; T88-S91 PolarHBondContact OG1-O 2.86Å |
| 92 | L | 86 | Confident | 77.2 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 116.9 | 169.7 | 175.7 | 59.9 | 0 | 0 | 0 | 109 | L32 R35 L36 W42 D43 L44 I45 F64 | L32-L92 HydrophobicContact CD2-CD2 4.35Å; R35-L92 HydrophobicContact CB-CD1 3.97Å; L36-L92 HydrophobicContact CD2-CD2 4.21Å; W42-L92 HydrophobicContact CE3-CB 4.29Å; W42-L92 HydrophobicContact CZ3-CB 3.93Å; W42-L92 HydrophobicContact CZ3-CD2 4.47Å; D43-L92 PolarHBondContact O-N 2.83Å; L44-L92 HydrophobicContact CD1-CB 4.33Å; L44-L92 HydrophobicContact CD1-CD2 4.13Å; L44-L92 HydrophobicContact CD1-CG 4.21Å; I45-L92 PolarHBondContact N-O 2.96Å; F64-L92 HydrophobicContact CE1-CD2 4.27Å |
| 93 | F | 86.7 | Confident | 75.3 | Confident | 7 Ų | 7 | 59.3 Ų | 59.3 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 134.2 | 178.6 | -63.5 | -106.2 | 0 | 0 | 0 | 110.9 | I45 L85 R86 T88 | I45-F93 HydrophobicContact CB-CD1 3.93Å; I45-F93 HydrophobicContact CB-CE1 4.3Å; I45-F93 HydrophobicContact CB-CG 4.28Å; I45-F93 HydrophobicContact CD1-CD1 4.14Å; I45-F93 HydrophobicContact CD1-CE1 3.64Å; I45-F93 HydrophobicContact CD1-CE2 4.19Å; I45-F93 HydrophobicContact CD1-CZ 3.67Å; I45-F93 HydrophobicContact CG2-CD1 3.74Å; I45-F93 HydrophobicContact CG2-CE1 3.99Å; I45-F93 CarbonylContact O-C 3.44Å; I45-F93 WeakPolarHBondContact O-CA 3.33Å; L85-F93 WeakPolarHBondContact CA-O 3.45Å; R86-F93 HydrophobicContact CB-CB 4.07Å; R86-F93 PolarHBondContact N-O 3.01Å; R86-F93 PolarHBondContact O-N 3.42Å; T88-F93 HydrophobicContact CG2-CD2 4.46Å; T88-F93 HydrophobicContact CG2-CE2 3.73Å |
| 94 | V | 88.6 | Confident | 73.1 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.012 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 109.3 | 170.8 | -172.2 | 0 | 0 | 0 | 0 | 107.7 | I27 L44 I45 L46 Q47 I66 L85 | I27-V94 HydrophobicContact CD1-CG1 4.17Å; L44-V94 HydrophobicContact CD1-CG2 4.48Å; I45-V94 PolarHBondContact O-N 2.78Å; L46-V94 HydrophobicContact CD1-CB 3.85Å; L46-V94 HydrophobicContact CD1-CG1 3.87Å; Q47-V94 PolarHBondContact N-O 3.37Å; I66-V94 HydrophobicContact CD1-CG2 3.94Å; L85-V94 HydrophobicContact CD2-CB 4.43Å; L85-V94 HydrophobicContact CD2-CG1 4.35Å; L85-V94 HydrophobicContact CD2-CG2 3.85Å |
| 95 | E | 87.8 | Confident | 71 | Confident | 18 Ų | 18 | 62.6 Ų | 62.6 | 8% | 0.084 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 120.6 | -174.7 | 172.2 | -173.1 | -159.7 | 0 | 0 | 110.4 | Y83 R84 R86 | Y83-E95 CarbonylContact C-O 3.4Å; Y83-E95 VanDerWaalsContact CA-O 3.27Å; Y83-E95 WeakPolarHBondContact CA-O 3.41Å; R84-E95 HydrophobicContact CB-CB 4.28Å; R84-E95 WeakPolarHBondContact CD-OE2 3.46Å; R84-E95 PolarHBondContact N-O 3.43Å; R84-E95 PolarHBondContact O-N 3.12Å; R86-E95 IonicContact CZ-OE1 2.73Å; R86-E95 IonicContact CZ-OE2 3.76Å; R86-E95 IonicContact NE-OE2 3.81Å; R86-E95 PolarHBondContact NE-OE2 2.8Å; R86-E95 IonicContact NH2-OE1 2.85Å; R86-E95 PolarHBondContact NH2-OE1 3.09Å; R86-E95 IonicContact NH2-OE2 3.64Å; R86-E95 PolarHBondContact NH2-OE2 2.81Å |
| 96 | L | 86.2 | Confident | 68.9 | Low | 5 Ų | 5 | 70 Ų | 70 | 3% | 0.026 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 126.9 | 174.2 | -63.2 | 179.2 | 0 | 0 | 0 | 110.7 | Q47 N48 P49 Y50 V68 L81 V1028 V1030 | Q47-L96 PolarHBondContact O-N 3.2Å; N48-L96 HydrophobicContact CB-CD1 4.42Å; P49-L96 WeakPolarHBondContact CD-O 3.37Å; P49-L96 WeakPolarHBondContact CG-O 3.41Å; Y50-L96 HydrophobicContact CD2-CB 4.37Å; Y50-L96 HydrophobicContact CE2-CB 4.17Å; V68-L96 HydrophobicContact CG2-CD2 4.33Å; L81-L96 HydrophobicContact CD1-CB 4.41Å; L81-L96 HydrophobicContact CD2-CD2 4.43Å; L96-V1028 HydrophobicContact CD1-CG1 4.38Å; L96-V1030 HydrophobicContact CD1-CG2 4.12Å |
| 97 | Y | 83 | Confident | 67.3 | Low | 77 Ų | 77 | 70.7 Ų | 70.7 | 30% | 0.302 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 150.1 | -176.6 | 69.8 | -79.7 | 0 | 0 | 0 | 112 | K82 R84 | K82-Y97 HydrophobicContact CB-CD1 4.38Å; K82-Y97 HydrophobicContact CB-CE1 3.68Å; K82-Y97 HydrophobicContact CB-CE2 3.98Å; K82-Y97 VanDerWaalsContact CB-CZ 3.45Å; K82-Y97 WeakPolarHBondContact CB-OH 3.34Å; K82-Y97 PolarHBondContact N-O 2.95Å; K82-Y97 VanDerWaalsContact O-CD1 3.3Å; K82-Y97 WeakPolarHBondContact O-CD1 3.33Å; K82-Y97 PolarHBondContact O-N 2.99Å; K82-Y97 VanDerWaalsContact O-O 3.13Å; R84-Y97 HydrophobicContact CB-CD1 4.23Å; R84-Y97 HydrophobicContact CB-CE1 3.75Å |
| 98 | P | 75 | Confident | 65.9 | Low | 50 Ų | 50 | 74 Ų | 74 | 33% | 0.325 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 129.1 | 174.7 | 31.1 | -29.2 | 0 | 0 | 0 | 109.4 | Y50 F100 | Y50-P98 WeakPolarHBondContact OH-CB 3.48Å; Y50-P98 WeakPolarHBondContact OH-CD 3.31Å; Y50-P98 VanDerWaalsContact OH-N 3.12Å; P98-F100 HydrophobicContact CB-CE2 4.3Å; P98-F100 HydrophobicContact CG-CE2 4.02Å |
| 99 | Q | 66.9 | Low | 64.8 | Low | 84 Ų | 84 | 71.4 Ų | 71.4 | 39% | 0.393 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 106.5 | 161.4 | -174.2 | 175.7 | 11.5 | 0 | 0 | 109.2 | R80 K82 S101 | R80-Q99 PolarHBondContact N-O 3.3Å; R80-Q99 PolarHBondContact O-N 2.95Å; K82-Q99 HydrophobicContact CD-CB 4.21Å; K82-Q99 HydrophobicContact CG-CB 4.42Å; Q99-S101 PolarHBondContact O-N 2.89Å |
| 100 | F | 57 | Low | 64 | Low | 136 Ų | 136 | 71.2 Ų | 71.2 | 60% | 0.596 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 118.7 | 157.3 | -61.4 | -79.1 | 0 | 0 | 0 | 108.6 | E79 P98 | E79-F100 HydrophobicContact CG-CD1 4.03Å; E79-F100 HydrophobicContact CG-CE1 3.8Å; E79-F100 WeakPolarHBondContact OE1-CE1 3.5Å; P98-F100 HydrophobicContact CB-CE2 4.3Å; P98-F100 HydrophobicContact CG-CE2 4.02Å |
| 101 | S | 46.6 | Very low | 63.2 | Low | 57 Ų | 57 | 73.8 Ų | 73.8 | 40% | 0.399 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -73 | 127.5 | 164.4 | 52.6 | 0 | 0 | 0 | 0 | 109 | H78 Q99 | H78-S101 WeakPolarHBondContact CA-OG 3.38Å; H78-S101 PolarHBondContact O-N 3.38Å; H78-S101 PolarHBondContact O-OG 3.26Å; Q99-S101 PolarHBondContact O-N 2.89Å |
| 102 | S | 44.4 | Very low | 62.5 | Low | 88 Ų | 88 | 80 Ų | 80 | 62% | 0.615 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 150.2 | 161.5 | 53.1 | 0 | 0 | 0 | 0 | 108.6 | T104 | S102-T104 VanDerWaalsContact C-N 3.25Å; S102-T104 PolarHBondContact O-N 2.85Å |
| 103 | P | 41.4 | Very low | 61.9 | Low | 123 Ų | 123 | 86.3 Ų | 86.3 | 80% | 0.799 | 44% | 0.437 | S | S | * | . | trans | -68.4 | 86.6 | 176.2 | 28.4 | -34.4 | 0 | 0 | 0 | 109.6 | H105 | P103-H105 PolarHBondContact O-N 2.85Å; P103-H105 VanDerWaalsContact O-N 3.12Å | ||
| 104 | T | 41.1 | Very low | 61.5 | Low | 102 Ų | 102 | 91.3 Ų | 91.3 | 63% | 0.626 | 46% | 0.463 | S | S | * | . | trans | -57.4 | 117.4 | 165.5 | 53.1 | 0 | 0 | 0 | 0 | 107.1 | S102 R106 | S102-T104 VanDerWaalsContact C-N 3.25Å; S102-T104 PolarHBondContact O-N 2.85Å; T104-R106 WeakPolarHBondContact O-CB 3.48Å; T104-R106 PolarHBondContact O-N 2.7Å | ||
| 105 | H | 39.3 | Very low | 61 | Low | 162 Ų | 162 | 98.9 Ų | 98.9 | 75% | 0.75 | 49% | 0.492 | S | S | * | . | trans | -72.8 | 64.4 | -172.1 | -167.2 | -65.7 | 0 | 0 | 0 | 111.3 | P103 N107 | P103-H105 PolarHBondContact O-N 2.85Å; P103-H105 VanDerWaalsContact O-N 3.12Å; H105-N107 VanDerWaalsContact C-N 3.27Å; H105-N107 PolarHBondContact CE1-OD1 2.77Å; H105-N107 VanDerWaalsContact CE1-OD1 3.28Å; H105-N107 PolarHBondContact ND1-OD1 2.8Å; H105-N107 PolarHBondContact O-N 2.94Å | ||
| 106 | R | 41.9 | Very low | 60.6 | Low | 179 Ų | 179 | 103.4 Ų | 103.4 | 68% | 0.675 | 52% | 0.516 | S | S | * | . | trans | -87.5 | 55.4 | -159.6 | -163.1 | 177.9 | 177.9 | 162.9 | 0.2 | 112.5 | T104 D108 G109 | T104-R106 WeakPolarHBondContact O-CB 3.48Å; T104-R106 PolarHBondContact O-N 2.7Å; R106-D108 PolarHBondContact O-N 3.12Å; R106-G109 PolarHBondContact O-N 2.95Å | ||
| 107 | N | 47.6 | Very low | 60.3 | Low | 89 Ų | 89 | 109.4 Ų | 109.4 | 48% | 0.476 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -37.5 | 175.6 | -74.5 | 25.3 | 0 | 0 | 0 | 111.4 | H105 G109 E110 E111 | H105-N107 VanDerWaalsContact C-N 3.27Å; H105-N107 PolarHBondContact CE1-OD1 2.77Å; H105-N107 VanDerWaalsContact CE1-OD1 3.28Å; H105-N107 PolarHBondContact ND1-OD1 2.8Å; H105-N107 PolarHBondContact O-N 2.94Å; N107-G109 PolarHBondContact O-N 2.79Å; N107-G109 VanDerWaalsContact O-N 3.09Å; N107-E110 PolarHBondContact O-N 2.86Å; N107-E111 PolarHBondContact O-N 3.4Å |
| 108 | D | 50.2 | Low | 60.4 | Low | 124 Ų | 124 | 110.6 Ų | 110.6 | 66% | 0.663 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -49.5 | -37.6 | 173.7 | -52.2 | -14.1 | 0 | 0 | 0 | 112.7 | R106 E110 E112 | R106-D108 PolarHBondContact O-N 3.12Å; D108-E110 VanDerWaalsContact C-N 3.35Å; D108-E110 PolarHBondContact O-N 3.44Å; D108-E112 WeakPolarHBondContact O-CB 3.19Å; D108-E112 WeakPolarHBondContact O-CG 3.42Å; D108-E112 PolarHBondContact O-N 3.3Å |
| 109 | G | 55.1 | Low | 60.9 | Low | 11 Ų | 11 | 112.7 Ų | 112.7 | 11% | 0.113 | 56% | 0.563 | C | S | . | * | H | α-helix | trans | -80.7 | -9.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115 | R106 N107 K113 | R106-G109 PolarHBondContact O-N 2.95Å; N107-G109 PolarHBondContact O-N 2.79Å; N107-G109 VanDerWaalsContact O-N 3.09Å; G109-K113 WeakPolarHBondContact O-CD 3.36Å; G109-K113 WeakPolarHBondContact O-CE 3.31Å; G109-K113 WeakPolarHBondContact O-CG 3.34Å |
| 110 | E | 58 | Low | 61.6 | Low | 122 Ų | 122 | 112 Ų | 112 | 57% | 0.57 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -95.6 | -37.9 | 167.7 | -62.8 | -124.7 | 117.1 | 0 | 0 | 110.6 | N107 D108 K113 I114 | N107-E110 PolarHBondContact O-N 2.86Å; D108-E110 VanDerWaalsContact C-N 3.35Å; D108-E110 PolarHBondContact O-N 3.44Å; E110-K113 WeakPolarHBondContact O-CB 3.28Å; E110-K113 PolarHBondContact O-N 2.95Å; E110-K113 VanDerWaalsContact O-N 3.16Å; E110-I114 VanDerWaalsContact O-CG1 3.3Å; E110-I114 WeakPolarHBondContact O-CG1 3.05Å; E110-I114 PolarHBondContact O-N 3.49Å |
| 111 | E | 61.9 | Low | 63.1 | Low | 108 Ų | 108 | 109.2 Ų | 109.2 | 51% | 0.505 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.2 | -45.4 | 171.7 | -70.3 | -165.7 | -159.5 | 0 | 0 | 111.7 | N107 K113 I114 Y115 | N107-E111 PolarHBondContact O-N 3.4Å; E111-K113 VanDerWaalsContact C-N 3.27Å; E111-K113 PolarHBondContact O-N 2.8Å; E111-I114 PolarHBondContact O-N 2.84Å; E111-I114 VanDerWaalsContact O-N 3.13Å; E111-Y115 WeakPolarHBondContact O-CB 3.44Å; E111-Y115 VanDerWaalsContact O-CD2 3.31Å; E111-Y115 WeakPolarHBondContact O-CD2 3.27Å; E111-Y115 PolarHBondContact O-N 3.34Å |
| 112 | E | 67.9 | Low | 65.1 | Low | 136 Ų | 136 | 110.1 Ų | 110.1 | 64% | 0.636 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -55.6 | -40.1 | 173.1 | -79.9 | -174.5 | 149.5 | 0 | 0 | 112.6 | D108 L116 | D108-E112 WeakPolarHBondContact O-CB 3.19Å; D108-E112 WeakPolarHBondContact O-CG 3.42Å; D108-E112 PolarHBondContact O-N 3.3Å; E112-L116 VanDerWaalsContact O-CB 3.26Å; E112-L116 WeakPolarHBondContact O-CB 3.04Å; E112-L116 PolarHBondContact O-N 2.75Å |
| 113 | K | 72.4 | Confident | 67.1 | Low | 133 Ų | 133 | 110.3 Ų | 110.3 | 58% | 0.578 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -69.1 | -40.9 | 176.6 | -69.6 | 171.4 | -169.7 | 164.6 | 0 | 111.9 | G109 E110 E111 L116 Q117 | G109-K113 WeakPolarHBondContact O-CD 3.36Å; G109-K113 WeakPolarHBondContact O-CE 3.31Å; G109-K113 WeakPolarHBondContact O-CG 3.34Å; E110-K113 WeakPolarHBondContact O-CB 3.28Å; E110-K113 PolarHBondContact O-N 2.95Å; E110-K113 VanDerWaalsContact O-N 3.16Å; E111-K113 VanDerWaalsContact C-N 3.27Å; E111-K113 PolarHBondContact O-N 2.8Å; K113-L116 PolarHBondContact O-N 3.13Å; K113-Q117 VanDerWaalsContact O-CB 3.25Å; K113-Q117 WeakPolarHBondContact O-CB 3.33Å; K113-Q117 PolarHBondContact O-N 3.21Å |
| 114 | I | 79.4 | Confident | 69.3 | Low | 112 Ų | 112 | 109.5 Ų | 109.5 | 57% | 0.574 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.7 | -46.4 | 177.5 | -69.1 | 163.7 | 0 | 0 | 0 | 109.8 | E110 E111 Q117 L118 | E110-I114 VanDerWaalsContact O-CG1 3.3Å; E110-I114 WeakPolarHBondContact O-CG1 3.05Å; E110-I114 PolarHBondContact O-N 3.49Å; E111-I114 PolarHBondContact O-N 2.84Å; E111-I114 VanDerWaalsContact O-N 3.13Å; I114-Q117 PolarHBondContact O-N 2.75Å; I114-L118 VanDerWaalsContact O-CB 3.27Å; I114-L118 WeakPolarHBondContact O-CB 3.34Å; I114-L118 PolarHBondContact O-N 2.87Å |
| 115 | Y | 79 | Confident | 71.6 | Confident | 161 Ų | 161 | 107.4 Ų | 107.4 | 63% | 0.631 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61 | -45.3 | 174.5 | -87.2 | -72.6 | 0 | 0 | 0 | 112 | E111 Q117 L118 L119 | E111-Y115 WeakPolarHBondContact O-CB 3.44Å; E111-Y115 VanDerWaalsContact O-CD2 3.31Å; E111-Y115 WeakPolarHBondContact O-CD2 3.27Å; E111-Y115 PolarHBondContact O-N 3.34Å; Y115-Q117 PolarHBondContact O-N 3.3Å; Y115-L118 PolarHBondContact O-N 2.04Å; Y115-L119 VanDerWaalsContact O-CB 3.28Å; Y115-L119 WeakPolarHBondContact O-CB 3.36Å; Y115-L119 PolarHBondContact O-N 2.71Å |
| 116 | L | 78.1 | Confident | 74 | Confident | 112 Ų | 112 | 105.1 Ų | 105.1 | 59% | 0.586 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.3 | -37.2 | 178.2 | -169.4 | 68.3 | 0 | 0 | 0 | 112.2 | E112 K113 L119 C120 | E112-L116 VanDerWaalsContact O-CB 3.26Å; E112-L116 WeakPolarHBondContact O-CB 3.04Å; E112-L116 PolarHBondContact O-N 2.75Å; K113-L116 PolarHBondContact O-N 3.13Å; L116-L119 HydrophobicContact CD1-CD2 4.34Å; L116-L119 PolarHBondContact O-N 3.34Å; L116-C120 PolarHBondContact O-N 3.4Å |
| 117 | Q | 80.2 | Confident | 76.3 | Confident | 132 Ų | 132 | 100.9 Ų | 100.9 | 62% | 0.617 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.4 | -40.5 | 175.1 | -170 | 170.6 | -72 | 0 | 0 | 111.5 | K113 I114 Y115 C120 V121 | K113-Q117 VanDerWaalsContact O-CB 3.25Å; K113-Q117 WeakPolarHBondContact O-CB 3.33Å; K113-Q117 PolarHBondContact O-N 3.21Å; I114-Q117 PolarHBondContact O-N 2.75Å; Y115-Q117 PolarHBondContact O-N 3.3Å; Q117-C120 PolarHBondContact O-N 3.18Å; Q117-V121 WeakPolarHBondContact O-CG2 3.21Å; Q117-V121 PolarHBondContact O-N 2.92Å |
| 118 | L | 83.9 | Confident | 78.2 | Confident | 102 Ų | 102 | 100.9 Ų | 100.9 | 53% | 0.534 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.4 | -36.5 | 175.3 | -165.1 | 70.2 | 0 | 0 | 0 | 111.7 | I114 Y115 V121 T122 | I114-L118 VanDerWaalsContact O-CB 3.27Å; I114-L118 WeakPolarHBondContact O-CB 3.34Å; I114-L118 PolarHBondContact O-N 2.87Å; Y115-L118 PolarHBondContact O-N 2.04Å; L118-V121 PolarHBondContact O-N 3.27Å; L118-T122 WeakPolarHBondContact O-CB 3.4Å; L118-T122 WeakPolarHBondContact O-CG2 3.44Å; L118-T122 PolarHBondContact O-N 3.5Å; L118-T122 PolarHBondContact O-OG1 3.37Å |
| 119 | L | 86.7 | Confident | 80.2 | Confident | 94 Ų | 94 | 99.3 Ų | 99.3 | 49% | 0.492 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 171.6 | -170.6 | 75.1 | 0 | 0 | 0 | 110.9 | Y115 L116 V121 T122 I123 | Y115-L119 VanDerWaalsContact O-CB 3.28Å; Y115-L119 WeakPolarHBondContact O-CB 3.36Å; Y115-L119 PolarHBondContact O-N 2.71Å; L116-L119 HydrophobicContact CD1-CD2 4.34Å; L116-L119 PolarHBondContact O-N 3.34Å; L119-V121 PolarHBondContact O-N 2.96Å; L119-T122 WeakPolarHBondContact CA-OG1 3.07Å; L119-T122 PolarHBondContact O-N 2.93Å; L119-T122 PolarHBondContact O-OG1 2.78Å; L119-I123 HydrophobicContact CD1-CD1 4.44Å; L119-I123 HydrophobicContact CD2-CD1 4.43Å; L119-I123 HydrophobicContact CG-CD1 3.9Å; L119-I123 WeakPolarHBondContact O-CB 3.19Å; L119-I123 VanDerWaalsContact O-CG1 3.24Å; L119-I123 WeakPolarHBondContact O-CG1 3.27Å; L119-I123 PolarHBondContact O-N 2.85Å |
| 120 | C | 82 | Confident | 82 | Confident | 68 Ų | 68 | 102.6 Ų | 102.6 | 46% | 0.459 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 173.8 | -83.6 | 0 | 0 | 0 | 0 | 112.5 | L116 Q117 I123 I124 | L116-C120 PolarHBondContact O-N 3.4Å; Q117-C120 PolarHBondContact O-N 3.18Å; C120-I123 PolarHBondContact O-N 2.84Å; C120-I124 WeakPolarHBondContact O-CB 3.4Å; C120-I124 WeakPolarHBondContact O-CD1 3.33Å; C120-I124 WeakPolarHBondContact O-CG1 3.46Å; C120-I124 PolarHBondContact O-N 3.37Å |
| 121 | V | 88 | Confident | 83.4 | Confident | 78 Ų | 78 | 103.1 Ų | 103.1 | 47% | 0.473 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 178.1 | 169.5 | 0 | 0 | 0 | 0 | 111.8 | Q117 L118 L119 S125 | Q117-V121 WeakPolarHBondContact O-CG2 3.21Å; Q117-V121 PolarHBondContact O-N 2.92Å; L118-V121 PolarHBondContact O-N 3.27Å; L119-V121 PolarHBondContact O-N 2.96Å; V121-S125 WeakPolarHBondContact O-CB 3.36Å; V121-S125 PolarHBondContact O-N 3.24Å; V121-S125 PolarHBondContact O-OG 3.33Å |
| 122 | T | 88.6 | Confident | 84.9 | Confident | 77 Ų | 77 | 101.6 Ų | 101.6 | 47% | 0.472 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.1 | -39.9 | 177.6 | 48.5 | 0 | 0 | 0 | 0 | 112.3 | L118 L119 S125 L126 | L118-T122 WeakPolarHBondContact O-CB 3.4Å; L118-T122 WeakPolarHBondContact O-CG2 3.44Å; L118-T122 PolarHBondContact O-N 3.5Å; L118-T122 PolarHBondContact O-OG1 3.37Å; L119-T122 WeakPolarHBondContact CA-OG1 3.07Å; L119-T122 PolarHBondContact O-N 2.93Å; L119-T122 PolarHBondContact O-OG1 2.78Å; T122-S125 PolarHBondContact O-N 3.38Å; T122-L126 WeakPolarHBondContact O-CB 3.28Å; T122-L126 PolarHBondContact O-N 2.96Å |
| 123 | I | 86.9 | Confident | 86.1 | Confident | 91 Ų | 91 | 98.9 Ų | 98.9 | 47% | 0.467 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61 | -48.2 | 172.7 | -71 | 168.5 | 0 | 0 | 0 | 111 | L119 C120 S125 L126 V127 | L119-I123 HydrophobicContact CD1-CD1 4.44Å; L119-I123 HydrophobicContact CD2-CD1 4.43Å; L119-I123 HydrophobicContact CG-CD1 3.9Å; L119-I123 WeakPolarHBondContact O-CB 3.19Å; L119-I123 VanDerWaalsContact O-CG1 3.24Å; L119-I123 WeakPolarHBondContact O-CG1 3.27Å; L119-I123 PolarHBondContact O-N 2.85Å; C120-I123 PolarHBondContact O-N 2.84Å; I123-S125 VanDerWaalsContact C-N 3.3Å; I123-S125 PolarHBondContact O-N 2.75Å; I123-L126 PolarHBondContact O-N 3.45Å; I123-V127 HydrophobicContact CG2-CG2 4.48Å; I123-V127 WeakPolarHBondContact O-CG2 3.49Å; I123-V127 PolarHBondContact O-N 2.86Å |
| 124 | I | 86.6 | Confident | 87 | Confident | 106 Ų | 106 | 95.4 Ų | 95.4 | 54% | 0.544 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.8 | -41.3 | 177.9 | -70.3 | 165.1 | 0 | 0 | 0 | 110.8 | C120 V127 L128 | C120-I124 WeakPolarHBondContact O-CB 3.4Å; C120-I124 WeakPolarHBondContact O-CD1 3.33Å; C120-I124 WeakPolarHBondContact O-CG1 3.46Å; C120-I124 PolarHBondContact O-N 3.37Å; I124-V127 PolarHBondContact O-N 3.26Å; I124-L128 HydrophobicContact CG2-CD1 4.32Å; I124-L128 PolarHBondContact O-N 2.87Å |
| 125 | S | 88.9 | Confident | 87.5 | Confident | 59 Ų | 59 | 94 Ų | 94 | 41% | 0.413 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 177.2 | -58.4 | 0 | 0 | 0 | 0 | 112 | V121 T122 I123 L128 V129 | V121-S125 WeakPolarHBondContact O-CB 3.36Å; V121-S125 PolarHBondContact O-N 3.24Å; V121-S125 PolarHBondContact O-OG 3.33Å; T122-S125 PolarHBondContact O-N 3.38Å; I123-S125 VanDerWaalsContact C-N 3.3Å; I123-S125 PolarHBondContact O-N 2.75Å; S125-L128 PolarHBondContact O-N 3.4Å; S125-V129 WeakPolarHBondContact O-CG2 3.26Å; S125-V129 PolarHBondContact O-N 2.84Å |
| 126 | L | 89.8 | Confident | 88.1 | Confident | 114 Ų | 114 | 91.4 Ų | 91.4 | 60% | 0.597 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.6 | -42.5 | 178.1 | -169 | 155.4 | 0 | 0 | 0 | 111.3 | T122 I123 L128 V129 V130 | T122-L126 WeakPolarHBondContact O-CB 3.28Å; T122-L126 PolarHBondContact O-N 2.96Å; I123-L126 PolarHBondContact O-N 3.45Å; L126-L128 VanDerWaalsContact C-N 3.34Å; L126-L128 PolarHBondContact O-N 2.97Å; L126-V129 PolarHBondContact O-N 3.48Å; L126-V130 HydrophobicContact CD2-CG2 3.96Å; L126-V130 WeakPolarHBondContact O-CG2 3.48Å; L126-V130 PolarHBondContact O-N 2.91Å |
| 127 | V | 90.2 | Very high | 88.6 | Confident | 90 Ų | 90 | 91.4 Ų | 91.4 | 55% | 0.545 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61 | -41.8 | 174.2 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | I123 I124 V130 F131 | I123-V127 HydrophobicContact CG2-CG2 4.48Å; I123-V127 WeakPolarHBondContact O-CG2 3.49Å; I123-V127 PolarHBondContact O-N 2.86Å; I124-V127 PolarHBondContact O-N 3.26Å; V127-V130 PolarHBondContact O-N 2.95Å; V127-F131 VanDerWaalsContact O-CB 3.3Å; V127-F131 WeakPolarHBondContact O-CB 3.48Å; V127-F131 PolarHBondContact O-N 3.45Å |
| 128 | L | 88.9 | Confident | 88.9 | Confident | 89 Ų | 89 | 88.7 Ų | 88.7 | 47% | 0.466 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 173.9 | -84.7 | 168 | 0 | 0 | 0 | 112.4 | I124 S125 L126 F131 V132 | I124-L128 HydrophobicContact CG2-CD1 4.32Å; I124-L128 PolarHBondContact O-N 2.87Å; S125-L128 PolarHBondContact O-N 3.4Å; L126-L128 VanDerWaalsContact C-N 3.34Å; L126-L128 PolarHBondContact O-N 2.97Å; L128-F131 PolarHBondContact O-N 2.98Å; L128-V132 WeakPolarHBondContact O-CG2 3.4Å; L128-V132 PolarHBondContact O-N 2.82Å |
| 129 | V | 92.7 | Very high | 89.1 | Confident | 91 Ų | 91 | 87.5 Ų | 87.5 | 55% | 0.552 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.7 | -47.1 | 176.9 | 170.2 | 0 | 0 | 0 | 0 | 111 | S125 L126 F131 V132 V133 | S125-V129 WeakPolarHBondContact O-CG2 3.26Å; S125-V129 PolarHBondContact O-N 2.84Å; L126-V129 PolarHBondContact O-N 3.48Å; V129-F131 VanDerWaalsContact C-N 3.3Å; V129-F131 PolarHBondContact O-N 3.35Å; V129-V132 PolarHBondContact O-N 3.24Å; V129-V133 HydrophobicContact CG1-CG2 4.32Å; V129-V133 WeakPolarHBondContact O-CB 3.43Å; V129-V133 VanDerWaalsContact O-CG2 3.3Å; V129-V133 WeakPolarHBondContact O-CG2 3.38Å; V129-V133 PolarHBondContact O-N 3.3Å |
| 130 | V | 91.3 | Very high | 89 | Confident | 80 Ų | 80 | 90.7 Ų | 90.7 | 49% | 0.485 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.1 | -37.7 | 177.4 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | L126 V127 S134 | L126-V130 HydrophobicContact CD2-CG2 3.96Å; L126-V130 WeakPolarHBondContact O-CG2 3.48Å; L126-V130 PolarHBondContact O-N 2.91Å; V127-V130 PolarHBondContact O-N 2.95Å; V130-S134 VanDerWaalsContact O-CB 3.28Å; V130-S134 WeakPolarHBondContact O-CB 3.48Å; V130-S134 PolarHBondContact O-N 3.42Å; V130-S134 PolarHBondContact O-OG 2.78Å |
| 131 | F | 89 | Confident | 88.9 | Confident | 133 Ų | 133 | 94.6 Ų | 94.6 | 58% | 0.583 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.6 | -45.5 | 176.4 | -170.5 | -107.1 | 0 | 0 | 0 | 112.2 | V127 L128 V129 S134 I135 | V127-F131 VanDerWaalsContact O-CB 3.3Å; V127-F131 WeakPolarHBondContact O-CB 3.48Å; V127-F131 PolarHBondContact O-N 3.45Å; L128-F131 PolarHBondContact O-N 2.98Å; V129-F131 VanDerWaalsContact C-N 3.3Å; V129-F131 PolarHBondContact O-N 3.35Å; F131-S134 PolarHBondContact O-N 3.44Å; F131-I135 HydrophobicContact CD1-CD1 3.82Å; F131-I135 HydrophobicContact CE1-CD1 3.5Å; F131-I135 VanDerWaalsContact CE1-CD1 3.5Å; F131-I135 HydrophobicContact CZ-CD1 4Å; F131-I135 WeakPolarHBondContact O-CG1 3.5Å; F131-I135 PolarHBondContact O-N 2.69Å |
| 132 | V | 92.5 | Very high | 88.4 | Confident | 75 Ų | 75 | 96 Ų | 96 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 176.1 | 170 | 0 | 0 | 0 | 0 | 111.3 | L128 V129 S134 I135 I136 | L128-V132 WeakPolarHBondContact O-CG2 3.4Å; L128-V132 PolarHBondContact O-N 2.82Å; V129-V132 PolarHBondContact O-N 3.24Å; V132-S134 VanDerWaalsContact C-N 3.32Å; V132-S134 PolarHBondContact O-N 3.1Å; V132-I135 PolarHBondContact O-N 2.82Å; V132-I136 HydrophobicContact CG1-CD1 3.83Å; V132-I136 HydrophobicContact CG1-CG1 4.5Å; V132-I136 WeakPolarHBondContact O-CG1 3.22Å; V132-I136 PolarHBondContact O-N 2.98Å |
| 133 | V | 93.5 | Very high | 87.9 | Confident | 80 Ų | 80 | 100.5 Ų | 100.5 | 49% | 0.485 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.2 | -41.3 | 175 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | V129 I135 I136 F137 | V129-V133 HydrophobicContact CG1-CG2 4.32Å; V129-V133 WeakPolarHBondContact O-CB 3.43Å; V129-V133 VanDerWaalsContact O-CG2 3.3Å; V129-V133 WeakPolarHBondContact O-CG2 3.38Å; V129-V133 PolarHBondContact O-N 3.3Å; V133-I135 VanDerWaalsContact C-N 3.34Å; V133-I135 PolarHBondContact O-N 3.16Å; V133-I136 PolarHBondContact O-N 2.83Å; V133-F137 WeakPolarHBondContact O-CB 3.38Å; V133-F137 PolarHBondContact O-N 2.88Å |
| 134 | S | 90.5 | Very high | 87.2 | Confident | 60 Ų | 60 | 99.3 Ų | 99.3 | 42% | 0.42 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.2 | -37.9 | 176.5 | -60.9 | 0 | 0 | 0 | 0 | 112.7 | V130 F131 V132 S138 | V130-S134 VanDerWaalsContact O-CB 3.28Å; V130-S134 WeakPolarHBondContact O-CB 3.48Å; V130-S134 PolarHBondContact O-N 3.42Å; V130-S134 PolarHBondContact O-OG 2.78Å; F131-S134 PolarHBondContact O-N 3.44Å; V132-S134 VanDerWaalsContact C-N 3.32Å; V132-S134 PolarHBondContact O-N 3.1Å; S134-S138 WeakPolarHBondContact O-CB 3.08Å; S134-S138 PolarHBondContact O-N 2.89Å; S134-S138 PolarHBondContact O-OG 3.48Å |
| 135 | I | 90 | Very high | 85.7 | Confident | 83 Ų | 83 | 103.1 Ų | 103.1 | 43% | 0.426 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.9 | -49.1 | 173.4 | -71.3 | 169.1 | 0 | 0 | 0 | 110.4 | F131 V132 V133 F137 S138 C139 | F131-I135 HydrophobicContact CD1-CD1 3.82Å; F131-I135 HydrophobicContact CE1-CD1 3.5Å; F131-I135 VanDerWaalsContact CE1-CD1 3.5Å; F131-I135 HydrophobicContact CZ-CD1 4Å; F131-I135 WeakPolarHBondContact O-CG1 3.5Å; F131-I135 PolarHBondContact O-N 2.69Å; V132-I135 PolarHBondContact O-N 2.82Å; V133-I135 VanDerWaalsContact C-N 3.34Å; V133-I135 PolarHBondContact O-N 3.16Å; I135-F137 VanDerWaalsContact C-N 3.31Å; I135-F137 PolarHBondContact O-N 3.39Å; I135-S138 WeakPolarHBondContact O-CB 3.42Å; I135-S138 PolarHBondContact O-N 3.46Å; I135-S138 VanDerWaalsContact O-N 3.13Å; I135-C139 PolarHBondContact O-N 2.94Å; I135-C139 PolarHBondContact O-SG 3.4Å; I135-C139 VanDerWaalsContact O-SG 3.37Å |
| 136 | I | 91.9 | Very high | 83.7 | Confident | 106 Ų | 106 | 109.3 Ų | 109.3 | 54% | 0.544 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -58 | -45 | 178.3 | -68.2 | 167 | 0 | 0 | 0 | 110.6 | V132 V133 S138 C139 W140 | V132-I136 HydrophobicContact CG1-CD1 3.83Å; V132-I136 HydrophobicContact CG1-CG1 4.5Å; V132-I136 WeakPolarHBondContact O-CG1 3.22Å; V132-I136 PolarHBondContact O-N 2.98Å; V133-I136 PolarHBondContact O-N 2.83Å; I136-S138 VanDerWaalsContact C-N 3.35Å; I136-S138 PolarHBondContact O-N 3Å; I136-C139 PolarHBondContact O-N 3.41Å; I136-W140 WeakPolarHBondContact O-CB 3.35Å; I136-W140 PolarHBondContact O-N 2.95Å |
| 137 | F | 88 | Confident | 81.6 | Confident | 112 Ų | 112 | 111 Ų | 111 | 49% | 0.491 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.3 | -38.9 | 177.8 | -138.2 | -91.9 | 0 | 0 | 0 | 112 | V133 I135 W140 W141 | V133-F137 WeakPolarHBondContact O-CB 3.38Å; V133-F137 PolarHBondContact O-N 2.88Å; I135-F137 VanDerWaalsContact C-N 3.31Å; I135-F137 PolarHBondContact O-N 3.39Å; F137-W140 PolarHBondContact O-N 3.35Å; F137-W141 HydrophobicContact CD1-CE3 4.2Å; F137-W141 AromaticContact CE1-CE3 3.8Å; F137-W141 HydrophobicContact CE1-CE3 3.8Å; F137-W141 HydrophobicContact CE1-CZ3 4.01Å; F137-W141 VanDerWaalsContact O-CB 3.3Å; F137-W141 WeakPolarHBondContact O-CB 3.3Å; F137-W141 PolarHBondContact O-N 3.03Å |
| 138 | S | 87.4 | Confident | 79.2 | Confident | 74 Ų | 74 | 112.3 Ų | 112.3 | 52% | 0.517 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.4 | -43.4 | 175.4 | -58.7 | 0 | 0 | 0 | 0 | 112.1 | S134 I135 I136 T142 | S134-S138 WeakPolarHBondContact O-CB 3.08Å; S134-S138 PolarHBondContact O-N 2.89Å; S134-S138 PolarHBondContact O-OG 3.48Å; I135-S138 WeakPolarHBondContact O-CB 3.42Å; I135-S138 PolarHBondContact O-N 3.46Å; I135-S138 VanDerWaalsContact O-N 3.13Å; I136-S138 VanDerWaalsContact C-N 3.35Å; I136-S138 PolarHBondContact O-N 3Å; S138-T142 WeakPolarHBondContact O-CB 3.18Å; S138-T142 WeakPolarHBondContact O-CG2 3.07Å; S138-T142 PolarHBondContact O-N 3.23Å; S138-T142 VanDerWaalsContact O-N 3.08Å; S138-T142 PolarHBondContact O-OG1 3.38Å |
| 139 | C | 87.1 | Confident | 77.1 | Confident | 78 Ų | 78 | 115.9 Ų | 115.9 | 53% | 0.527 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.6 | -33.3 | 175.4 | -68.3 | 0 | 0 | 0 | 0 | 112.7 | I135 I136 T142 K143 | I135-C139 PolarHBondContact O-N 2.94Å; I135-C139 PolarHBondContact O-SG 3.4Å; I135-C139 VanDerWaalsContact O-SG 3.37Å; I136-C139 PolarHBondContact O-N 3.41Å; C139-T142 WeakPolarHBondContact CA-OG1 3.39Å; C139-T142 PolarHBondContact O-OG1 3.37Å; C139-K143 WeakPolarHBondContact O-CB 3.4Å; C139-K143 PolarHBondContact O-N 3.07Å |
| 140 | W | 85.9 | Confident | 74.5 | Confident | 160 Ų | 160 | 118.4 Ų | 118.4 | 61% | 0.606 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -73.9 | -46.1 | 176.5 | -170 | 61.5 | 0 | 0 | 0 | 111.5 | I136 F137 T142 K143 S144 | I136-W140 WeakPolarHBondContact O-CB 3.35Å; I136-W140 PolarHBondContact O-N 2.95Å; F137-W140 PolarHBondContact O-N 3.35Å; W140-T142 PolarHBondContact O-N 3.14Å; W140-K143 PolarHBondContact O-N 3.02Å; W140-K143 VanDerWaalsContact O-N 3.11Å; W140-S144 PolarHBondContact O-N 2.92Å; W140-S144 PolarHBondContact O-OG 3.11Å; W140-S144 VanDerWaalsContact O-OG 3.08Å |
| 141 | W | 79.9 | Confident | 71.9 | Confident | 150 Ų | 150 | 122.5 Ų | 122.5 | 57% | 0.568 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -61.6 | -42.1 | 178.1 | -160.2 | -70.6 | 0 | 0 | 0 | 112.5 | F137 K143 S144 Y145 | F137-W141 HydrophobicContact CD1-CE3 4.2Å; F137-W141 AromaticContact CE1-CE3 3.8Å; F137-W141 HydrophobicContact CE1-CE3 3.8Å; F137-W141 HydrophobicContact CE1-CZ3 4.01Å; F137-W141 VanDerWaalsContact O-CB 3.3Å; F137-W141 WeakPolarHBondContact O-CB 3.3Å; F137-W141 PolarHBondContact O-N 3.03Å; W141-K143 VanDerWaalsContact C-N 3.29Å; W141-K143 PolarHBondContact O-N 3.41Å; W141-S144 PolarHBondContact O-N 2.87Å; W141-Y145 AromaticContact NE1-CD2 3.79Å; W141-Y145 AromaticContact NE1-CE2 3.78Å |
| 142 | T | 77.5 | Confident | 69.5 | Low | 109 Ų | 109 | 119.2 Ų | 119.2 | 67% | 0.669 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -68.7 | -24 | 176 | 48 | 0 | 0 | 0 | 0 | 113.5 | S138 C139 W140 | S138-T142 WeakPolarHBondContact O-CB 3.18Å; S138-T142 WeakPolarHBondContact O-CG2 3.07Å; S138-T142 PolarHBondContact O-N 3.23Å; S138-T142 VanDerWaalsContact O-N 3.08Å; S138-T142 PolarHBondContact O-OG1 3.38Å; C139-T142 WeakPolarHBondContact CA-OG1 3.39Å; C139-T142 PolarHBondContact O-OG1 3.37Å; W140-T142 PolarHBondContact O-N 3.14Å |
| 143 | K | 77.6 | Confident | 66.8 | Low | 171 Ų | 171 | 123.1 Ų | 123.1 | 74% | 0.743 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -84.4 | -35.1 | 175.3 | -167.7 | 172.4 | -178.1 | 179.7 | 0 | 112.9 | C139 W140 W141 Y145 | C139-K143 WeakPolarHBondContact O-CB 3.4Å; C139-K143 PolarHBondContact O-N 3.07Å; W140-K143 PolarHBondContact O-N 3.02Å; W140-K143 VanDerWaalsContact O-N 3.11Å; W141-K143 VanDerWaalsContact C-N 3.29Å; W141-K143 PolarHBondContact O-N 3.41Å; K143-Y145 VanDerWaalsContact C-N 3.34Å; K143-Y145 PolarHBondContact O-N 3.1Å |
| 144 | S | 71.2 | Confident | 64.3 | Low | 65 Ų | 65 | 125.2 Ų | 125.2 | 46% | 0.455 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -74.1 | -18.1 | -176.1 | -62.3 | 0 | 0 | 0 | 0 | 114.5 | W140 W141 K146 | W140-S144 PolarHBondContact O-N 2.92Å; W140-S144 PolarHBondContact O-OG 3.11Å; W140-S144 VanDerWaalsContact O-OG 3.08Å; W141-S144 PolarHBondContact O-N 2.87Å; S144-K146 VanDerWaalsContact C-N 3.29Å; S144-K146 PolarHBondContact O-N 3.37Å |
| 145 | Y | 55.3 | Low | 61.5 | Low | 187 Ų | 187 | 129.7 Ų | 129.7 | 73% | 0.733 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | 18.2 | -175.8 | -112.6 | -85.2 | 0 | 0 | 0 | 115.7 | W141 K143 I147 | W141-Y145 AromaticContact NE1-CD2 3.79Å; W141-Y145 AromaticContact NE1-CE2 3.78Å; K143-Y145 VanDerWaalsContact C-N 3.34Å; K143-Y145 PolarHBondContact O-N 3.1Å; Y145-I147 PolarHBondContact O-N 2.96Å |
| 146 | K | 48.1 | Very low | 58.7 | Low | 188 Ų | 188 | 129.4 Ų | 129.4 | 82% | 0.817 | 68% | 0.684 | S | S | * | * | trans | -95.7 | 83.7 | 173.6 | -78.4 | -165.9 | 172.7 | -171.1 | 0 | 112.1 | S144 | S144-K146 VanDerWaalsContact C-N 3.29Å; S144-K146 PolarHBondContact O-N 3.37Å | ||
| 147 | I | 45.2 | Very low | 55.6 | Low | 151 Ų | 151 | 129.3 Ų | 129.3 | 77% | 0.774 | 69% | 0.688 | S | S | * | * | trans | -128 | 118.5 | 163.8 | -58.6 | 177.2 | 0 | 0 | 0 | 107.8 | Y145 | Y145-I147 PolarHBondContact O-N 2.96Š| ||
| 148 | P | 40.3 | Very low | 52.5 | Low | 116 Ų | 116 | 133 Ų | 133 | 75% | 0.753 | 70% | 0.7 | S | S | * | * | trans | -97.6 | 129.8 | 171.9 | 34.5 | -27.9 | 0 | 0 | 0 | 111.1 | ||||
| 149 | I | 43.7 | Very low | 49.5 | Very low | 165 Ų | 165 | 137.2 Ų | 137.2 | 85% | 0.846 | 71% | 0.706 | S | S | * | * | trans | -166.2 | 154.7 | 158.3 | -104.3 | 149.7 | 0 | 0 | 0 | 108.6 | ||||
| 150 | D | 38.9 | Very low | 46.8 | Very low | 143 Ų | 143 | 139.7 Ų | 139.7 | 77% | 0.765 | 71% | 0.713 | S | S | * | * | trans | -75.4 | 175.9 | -167.3 | -60.2 | -85.3 | 0 | 0 | 0 | 117 | ||||
| 151 | L | 36.3 | Very low | 44 | Very low | 167 Ų | 167 | 138.1 Ų | 138.1 | 87% | 0.874 | 73% | 0.726 | S | S | * | * | trans | 93.8 | 133.9 | 147.5 | -134 | 71.8 | 0 | 0 | 0 | 118.4 | ||||
| 152 | G | 38.2 | Very low | 41.5 | Very low | 64 Ų | 64 | 137.4 Ų | 137.4 | 66% | 0.66 | 73% | 0.733 | S | S | * | * | trans | 79 | 98.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 153 | I | 36.3 | Very low | 39.1 | Very low | 156 Ų | 156 | 142 Ų | 142 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | cis | 58.7 | 56.5 | 21 | -39.5 | -177.6 | 0 | 0 | 0 | 113 | ||||
| 154 | T | 40.1 | Very low | 36.8 | Very low | 124 Ų | 124 | 140.6 Ų | 140.6 | 76% | 0.761 | 74% | 0.739 | S | S | * | * | trans | -131 | 121.5 | 130.5 | 50.1 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 155 | D | 33.1 | Very low | 34.8 | Very low | 154 Ų | 154 | 146 Ų | 146 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | 61.6 | 131.3 | 79.9 | -84.2 | -2 | 0 | 0 | 0 | 113 | |||||
| 156 | A | 31.7 | Very low | 33.7 | Very low | 77 Ų | 77 | 144 Ų | 144 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | cis | -158.4 | 166.4 | -1.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 157 | V | 26.4 | Very low | 32.9 | Very low | 104 Ų | 104 | 138 Ų | 138 | 63% | 0.63 | 75% | 0.75 | S | S | * | * | 39.1 | 102.8 | 129.4 | 175.4 | 0 | 0 | 0 | 0 | 117.4 | Y159 | V157-Y159 HydrophobicContact CG1-CD2 4.02Å; V157-Y159 HydrophobicContact CG1-CE2 4.18Å | |||
| 158 | Y | 22.8 | Very low | 32.4 | Very low | 189 Ų | 189 | 138.5 Ų | 138.5 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | 44.8 | 169.3 | 117.1 | -57 | -75.7 | 0 | 0 | 0 | 122.7 | |||||
| 159 | Y | 23.3 | Very low | 32.3 | Very low | 164 Ų | 164 | 138.9 Ų | 138.9 | 64% | 0.643 | 75% | 0.753 | S | S | * | * | trans | 79 | 115.8 | 151.7 | -53 | -52.3 | 0 | 0 | 0 | 120.1 | V157 S161 | V157-Y159 HydrophobicContact CG1-CD2 4.02Å; V157-Y159 HydrophobicContact CG1-CE2 4.18Å; Y159-S161 PolarHBondContact O-N 2.86Å | ||
| 160 | I | 30.1 | Very low | 32 | Very low | 130 Ų | 130 | 138.4 Ų | 138.4 | 67% | 0.667 | 75% | 0.753 | S | S | * | * | 42.5 | 82.3 | 120.7 | -46.3 | 162.7 | 0 | 0 | 0 | 114.6 | L162 | I160-L162 VanDerWaalsContact C-N 3.26Å; I160-L162 HydrophobicContact CG2-CD1 3.63Å; I160-L162 HydrophobicContact CG2-CG 3.77Å; I160-L162 PolarHBondContact O-N 2.94Å | |||
| 161 | S | 28.2 | Very low | 32.2 | Very low | 126 Ų | 126 | 134 Ų | 134 | 88% | 0.881 | 74% | 0.741 | S | S | * | * | trans | -75.9 | 84.2 | 155.1 | -61.3 | 0 | 0 | 0 | 0 | 109.6 | Y159 | Y159-S161 PolarHBondContact O-N 2.86Š| ||
| 162 | L | 27.2 | Very low | 32.3 | Very low | 136 Ų | 136 | 133.7 Ų | 133.7 | 71% | 0.712 | 74% | 0.735 | S | S | * | * | trans | -54.7 | 136.5 | 155.6 | -72.9 | 123.9 | 0 | 0 | 0 | 108.2 | I160 | I160-L162 VanDerWaalsContact C-N 3.26Å; I160-L162 HydrophobicContact CG2-CD1 3.63Å; I160-L162 HydrophobicContact CG2-CG 3.77Å; I160-L162 PolarHBondContact O-N 2.94Å | ||
| 163 | K | 27.5 | Very low | 32.3 | Very low | 206 Ų | 206 | 137.4 Ų | 137.4 | 90% | 0.896 | 73% | 0.733 | S | S | * | * | trans | -103.1 | 88.7 | 145.2 | -85.1 | -162.1 | 166.1 | -160.1 | 0 | 106.4 | ||||
| 164 | H | 28.1 | Very low | 32.5 | Very low | 141 Ų | 141 | 138 Ų | 138 | 65% | 0.653 | 73% | 0.73 | S | S | * | * | 73.2 | 77.6 | 103.3 | -123.2 | -87.5 | 0 | 0 | 0 | 109.8 | D166 | H164-D166 IonicContact CE1-OD1 3.17Å; H164-D166 PolarHBondContact CE1-OD1 3.36Å; H164-D166 IonicContact ND1-OD1 2.64Å; H164-D166 PolarHBondContact ND1-OD1 2.8Å; H164-D166 PolarHBondContact O-N 3.3Å | |||
| 165 | E | 29.2 | Very low | 32.4 | Very low | 179 Ų | 179 | 137.5 Ų | 137.5 | 84% | 0.836 | 72% | 0.722 | S | S | * | * | trans | -61.1 | 112.9 | 138.5 | -68.7 | 176.6 | 107.4 | 0 | 0 | 107.1 | G167 | E165-G167 WeakPolarHBondContact O-CA 3.46Š| ||
| 166 | D | 33.6 | Very low | 32.6 | Very low | 145 Ų | 145 | 135.1 Ų | 135.1 | 78% | 0.775 | 72% | 0.718 | S | S | * | * | trans | -82.9 | 101.7 | 144.3 | -59.9 | -45.3 | 0 | 0 | 0 | 105 | H164 | H164-D166 IonicContact CE1-OD1 3.17Å; H164-D166 PolarHBondContact CE1-OD1 3.36Å; H164-D166 IonicContact ND1-OD1 2.64Å; H164-D166 PolarHBondContact ND1-OD1 2.8Å; H164-D166 PolarHBondContact O-N 3.3Å | ||
| 167 | G | 29.8 | Very low | 32.9 | Very low | 60 Ų | 60 | 141.1 Ų | 141.1 | 62% | 0.619 | 72% | 0.724 | S | S | * | * | cis | 120.7 | 82.1 | 2.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | E165 | E165-G167 WeakPolarHBondContact O-CA 3.46Š| ||
| 168 | L | 35 | Very low | 33.4 | Very low | 162 Ų | 162 | 143.9 Ų | 143.9 | 85% | 0.848 | 73% | 0.728 | S | S | * | * | trans | -160.6 | 112.1 | 175.9 | -159.9 | 64.6 | 0 | 0 | 0 | 113.2 | ||||
| 169 | V | 38.6 | Very low | 34 | Very low | 124 Ų | 124 | 143.3 Ų | 143.3 | 75% | 0.752 | 73% | 0.729 | S | S | * | * | trans | 62.1 | 129.1 | 151.5 | 173.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 170 | D | 38.4 | Very low | 34.6 | Very low | 156 Ų | 156 | 140.5 Ų | 140.5 | 83% | 0.834 | 73% | 0.733 | S | S | * | * | cis | -171.7 | -178.6 | -23.5 | -122.7 | -75.1 | 0 | 0 | 0 | 106.2 | ||||
| 171 | G | 42.1 | Very low | 34.9 | Very low | 50 Ų | 50 | 138.3 Ų | 138.3 | 52% | 0.515 | 73% | 0.734 | S | S | . | * | cis | 169.7 | 167.5 | 2.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 172 | E | 39.2 | Very low | 35.2 | Very low | 161 Ų | 161 | 141.4 Ų | 141.4 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | trans | 65.6 | 152.7 | 175.6 | -53.6 | -146.4 | 146.2 | 0 | 0 | 117.8 | ||||
| 173 | K | 38.4 | Very low | 35.5 | Very low | 141 Ų | 141 | 139.7 Ų | 139.7 | 61% | 0.613 | 73% | 0.734 | S | S | * | * | cis | -165.3 | 148.1 | -14.6 | -112.9 | 175.6 | -168.1 | 144.5 | 0 | 110.9 | ||||
| 174 | K | 39.1 | Very low | 35.9 | Very low | 170 Ų | 170 | 136 Ų | 136 | 74% | 0.739 | 73% | 0.729 | S | S | * | * | trans | 65.7 | 158.7 | 146.8 | -69.2 | 175.3 | 155.3 | -89.2 | 0 | 119.8 | ||||
| 175 | D | 38.2 | Very low | 36.2 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 60% | 0.599 | 73% | 0.73 | S | S | * | * | cis | -161.3 | 127.9 | -16.4 | -114.5 | -33.5 | 0 | 0 | 0 | 112.5 | ||||
| 176 | S | 38.4 | Very low | 36.4 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | trans | 60.5 | 161.3 | 137.4 | 96.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 177 | R | 38.1 | Very low | 36.4 | Very low | 202 Ų | 202 | 132 Ų | 132 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | cis | -172.6 | 155.1 | -4.2 | -129.7 | 178.7 | 171.9 | 177.6 | 1.3 | 112.7 | ||||
| 178 | K | 37.2 | Very low | 36.6 | Very low | 163 Ų | 163 | 136.2 Ų | 136.2 | 71% | 0.709 | 73% | 0.733 | S | S | * | * | trans | 68 | 154.3 | 147.2 | -78.7 | 178.8 | 179.5 | -178.6 | 0 | 120.4 | ||||
| 179 | K | 35.4 | Very low | 36.5 | Very low | 176 Ų | 176 | 134.4 Ų | 134.4 | 77% | 0.765 | 73% | 0.728 | S | S | * | * | cis | -175.8 | 151.9 | -24.1 | -150.1 | -166.4 | -176.1 | -159.7 | 0 | 112 | ||||
| 180 | S | 35.6 | Very low | 36.3 | Very low | 106 Ų | 106 | 132.5 Ų | 132.5 | 74% | 0.741 | 73% | 0.725 | S | S | * | * | trans | 60.1 | 152 | 151.6 | -87.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 181 | A | 36.5 | Very low | 36.1 | Very low | 83 Ų | 83 | 130.1 Ų | 130.1 | 69% | 0.686 | 71% | 0.713 | S | S | * | * | cis | -158.3 | 144.4 | -22.2 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 182 | E | 33.3 | Very low | 35.7 | Very low | 191 Ų | 191 | 132.2 Ų | 132.2 | 89% | 0.893 | 71% | 0.711 | S | S | * | * | 175 | 158.4 | 89.9 | -79.8 | -177.8 | 121 | 0 | 0 | 105.9 | |||||
| 183 | S | 34.6 | Very low | 35.4 | Very low | 100 Ų | 100 | 128.9 Ų | 128.9 | 70% | 0.699 | 71% | 0.706 | S | S | * | * | cis | -146.7 | 141.6 | 4.8 | 47.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 184 | T | 35.6 | Very low | 35.1 | Very low | 128 Ų | 128 | 127.8 Ų | 127.8 | 79% | 0.785 | 71% | 0.711 | S | S | * | * | trans | 31.5 | 105.9 | 152.5 | 55.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 185 | S | 33.3 | Very low | 34.7 | Very low | 97 Ų | 97 | 127.2 Ų | 127.2 | 68% | 0.678 | 72% | 0.716 | S | S | * | * | cis | 99.2 | 149.7 | 11.5 | 99.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 186 | N | 33.5 | Very low | 34.3 | Very low | 137 Ų | 137 | 126.9 Ų | 126.9 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | trans | 84.9 | 85.6 | 170.1 | -47.3 | -7.5 | 0 | 0 | 0 | 115.8 | ||||
| 187 | I | 34.9 | Very low | 33.9 | Very low | 147 Ų | 147 | 125.1 Ų | 125.1 | 75% | 0.754 | 72% | 0.72 | S | S | * | * | 77.4 | 105.5 | 62.3 | -57.9 | 165.2 | 0 | 0 | 0 | 114.2 | |||||
| 188 | N | 33.6 | Very low | 33.5 | Very low | 150 Ų | 150 | 122.5 Ų | 122.5 | 80% | 0.802 | 72% | 0.722 | S | S | * | * | trans | 166.9 | 157.1 | 138 | -88.2 | -29.6 | 0 | 0 | 0 | 111.4 | ||||
| 189 | V | 33.3 | Very low | 33.1 | Very low | 123 Ų | 123 | 122.2 Ų | 122.2 | 75% | 0.745 | 72% | 0.722 | S | S | * | * | cis | -166.2 | 145.6 | -34.7 | 70.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 190 | A | 34 | Very low | 32.7 | Very low | 84 Ų | 84 | 118 Ų | 118 | 69% | 0.694 | 71% | 0.714 | S | S | * | * | trans | 65.5 | 143 | 164.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 191 | N | 33.3 | Very low | 32.4 | Very low | 106 Ų | 106 | 120.8 Ų | 120.8 | 57% | 0.567 | 72% | 0.716 | S | S | * | * | cis | -166.1 | 164.1 | 4.2 | -146 | -19 | 0 | 0 | 0 | 114.1 | G911 P912 | N191-G911 PolarHBondContact ND2-O 2.03Å; N191-P912 HydrophobicContact CB-CG 3.71Å | ||
| 192 | I | 34.9 | Very low | 31.8 | Very low | 95 Ų | 95 | 123.7 Ų | 123.7 | 49% | 0.487 | 72% | 0.719 | S | S | . | * | trans | 63.6 | 127.3 | 174.2 | -48.6 | 179.4 | 0 | 0 | 0 | 116.1 | ||||
| 193 | S | 32.7 | Very low | 31.6 | Very low | 90 Ų | 90 | 120.6 Ų | 120.6 | 63% | 0.629 | 71% | 0.707 | S | S | * | * | cis | -164.6 | 154.5 | -23.4 | 59.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 194 | T | 31.8 | Very low | 31.2 | Very low | 119 Ų | 119 | 123.2 Ų | 123.2 | 73% | 0.73 | 71% | 0.708 | S | S | * | * | trans | 42.6 | 108.8 | 145.2 | 55.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 195 | N | 30.8 | Very low | 30.7 | Very low | 158 Ų | 158 | 122.9 Ų | 122.9 | 85% | 0.845 | 70% | 0.701 | S | S | * | * | cis | 55.9 | 140.6 | 29.3 | -131.8 | 11.8 | 0 | 0 | 0 | 111.8 | ||||
| 196 | S | 28.7 | Very low | 30.4 | Very low | 105 Ų | 105 | 124.8 Ų | 124.8 | 73% | 0.734 | 70% | 0.702 | S | S | * | * | cis | -164.6 | 166 | 15.5 | 47.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 197 | G | 30.7 | Very low | 30.2 | Very low | 67 Ų | 67 | 122.4 Ų | 122.4 | 69% | 0.691 | 70% | 0.696 | S | S | * | * | trans | 159.8 | 109.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 198 | N | 30.1 | Very low | 30 | Very low | 147 Ų | 147 | 121.8 Ų | 121.8 | 79% | 0.786 | 70% | 0.7 | S | S | * | * | cis | 54.5 | 134.7 | 23.7 | -73.6 | 24.2 | 0 | 0 | 0 | 112.8 | ||||
| 199 | H | 29.4 | Very low | 30.1 | Very low | 157 Ų | 157 | 116.3 Ų | 116.3 | 73% | 0.727 | 67% | 0.672 | S | S | * | * | cis | -172.2 | 162.5 | -15.1 | -140.7 | -92.4 | 0 | 0 | 0 | 104.9 | ||||
| 200 | C | 26.3 | Very low | 29.9 | Very low | 88 Ų | 88 | 114.6 Ų | 114.6 | 60% | 0.595 | 66% | 0.656 | S | S | * | * | trans | 67 | 135.4 | 165 | -65.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 201 | E | 28.7 | Very low | 29.7 | Very low | 165 Ų | 165 | 115.8 Ų | 115.8 | 77% | 0.771 | 66% | 0.659 | S | S | * | * | 72.5 | 110.2 | 105.6 | -62.1 | 173.2 | 120.3 | 0 | 0 | 113.3 | |||||
| 202 | L | 25.3 | Very low | 29.7 | Very low | 143 Ų | 143 | 114.4 Ų | 114.4 | 75% | 0.749 | 67% | 0.67 | S | S | * | * | 91.9 | 133.6 | 56 | -179.7 | 71 | 0 | 0 | 0 | 111.1 | |||||
| 203 | I | 27.3 | Very low | 29.6 | Very low | 126 Ų | 126 | 114.5 Ų | 114.5 | 65% | 0.646 | 68% | 0.679 | S | S | * | * | trans | 75.9 | 119.7 | 162.5 | -87.1 | 166.3 | 0 | 0 | 0 | 118.5 | ||||
| 204 | E | 26.7 | Very low | 29.6 | Very low | 156 Ų | 156 | 117.5 Ų | 117.5 | 73% | 0.729 | 68% | 0.683 | S | S | * | * | trans | 62.6 | 168.5 | 140.6 | -62 | -169.2 | 140.9 | 0 | 0 | 121.7 | ||||
| 205 | L | 25.1 | Very low | 29.8 | Very low | 120 Ų | 120 | 117.3 Ų | 117.3 | 63% | 0.628 | 68% | 0.677 | S | S | * | * | cis | -156.3 | 169.1 | -46 | -107 | 174.8 | 0 | 0 | 0 | 109.3 | ||||
| 206 | I | 28.1 | Very low | 30 | Very low | 138 Ų | 138 | 114 Ų | 114 | 71% | 0.708 | 66% | 0.663 | S | S | * | * | trans | 65 | 133.3 | 150.1 | -68.1 | 158.4 | 0 | 0 | 0 | 121.7 | ||||
| 207 | S | 28.4 | Very low | 30.2 | Very low | 87 Ų | 87 | 112.7 Ų | 112.7 | 61% | 0.608 | 65% | 0.648 | S | S | * | * | trans | -55.9 | 145.1 | 172.2 | -36.5 | 0 | 0 | 0 | 0 | 118.1 | P209 | S207-P209 VanDerWaalsContact C-CD 3.47Š| ||
| 208 | T | 31.1 | Very low | 30.4 | Very low | 134 Ų | 134 | 117.6 Ų | 117.6 | 82% | 0.822 | 65% | 0.653 | S | S | * | * | trans | -126.5 | 37.6 | -174.2 | 56.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 209 | P | 34.7 | Very low | 30.4 | Very low | 35 Ų | 35 | 116 Ų | 116 | 23% | 0.227 | 65% | 0.649 | C | S | . | * | trans | -74.2 | -173.7 | -151.3 | -1.6 | 2.8 | 0 | 0 | 0 | 123.8 | S207 V449 K450 T451 | S207-P209 VanDerWaalsContact C-CD 3.47Å; P209-V449 WeakPolarHBondContact CB-O 3.24Å; P209-V449 HydrophobicContact CG-CB 4.08Å; P209-V449 HydrophobicContact CG-CG1 3.68Å; P209-K450 WeakPolarHBondContact CG-O 3.35Å; P209-T451 WeakPolarHBondContact CA-OG1 3.45Å; P209-T451 HydrophobicContact CB-CG2 2.3Å; P209-T451 WeakPolarHBondContact CB-OG1 3.32Å; P209-T451 HydrophobicContact CG-CG2 2.27Å; P209-T451 WeakPolarHBondContact O-CB 3.38Å; P209-T451 PolarHBondContact O-OG1 3.23Å | ||
| 210 | H | 30.4 | Very low | 30.5 | Very low | 87 Ų | 87 | 118.3 Ų | 118.3 | 40% | 0.403 | 66% | 0.657 | S | S | . | * | trans | 78.1 | 149.1 | 161 | -80 | 132.3 | 0 | 0 | 0 | 118.5 | K450 T451 I452 | H210-K450 WeakPolarHBondContact NE2-CD 3.29Å; H210-K450 VanDerWaalsContact NE2-CE 3.3Å; H210-K450 WeakPolarHBondContact NE2-CE 3.45Å; H210-K450 WeakPolarHBondContact NE2-CG 3.28Å; H210-K450 PolarHBondContact NE2-NZ 3.07Å; H210-T451 WeakPolarHBondContact CB-OG1 3.43Å; H210-T451 PolarHBondContact N-OG1 3.15Å; H210-T451 VanDerWaalsContact N-OG1 3.17Å; H210-T451 PolarHBondContact ND1-N 3Å; H210-T451 PolarHBondContact ND1-O 3.13Å; H210-T451 PolarHBondContact ND1-OG1 2.9Å; H210-I452 HydrophobicContact CB-CD1 4.07Å; H210-I452 HydrophobicContact CB-CG1 4.33Å | ||
| 211 | S | 30 | Very low | 30.5 | Very low | 109 Ų | 109 | 117.5 Ų | 117.5 | 76% | 0.762 | 66% | 0.656 | S | S | * | * | cis | -158.6 | 166.4 | -8.9 | 64.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 212 | G | 33 | Very low | 30.5 | Very low | 77 Ų | 77 | 115.7 Ų | 115.7 | 79% | 0.794 | 65% | 0.648 | S | S | * | * | trans | 76.8 | 164 | 166 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 213 | S | 31.6 | Very low | 30.4 | Very low | 96 Ų | 96 | 114.4 Ų | 114.4 | 67% | 0.671 | 65% | 0.646 | S | S | * | * | cis | -154 | 150.1 | -27.6 | -157.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 214 | E | 33.6 | Very low | 30.4 | Very low | 154 Ų | 154 | 119.3 Ų | 119.3 | 72% | 0.72 | 66% | 0.657 | S | S | * | * | trans | 65.9 | 130 | 145.2 | -83.7 | 169.3 | 103.2 | 0 | 0 | 127 | ||||
| 215 | N | 35.1 | Very low | 30.3 | Very low | 114 Ų | 114 | 117.8 Ų | 117.8 | 61% | 0.61 | 66% | 0.659 | S | S | * | * | trans | 91.6 | 103.3 | 130.8 | -64.7 | -24 | 0 | 0 | 0 | 124.7 | ||||
| 216 | T | 35.4 | Very low | 30.4 | Very low | 90 Ų | 90 | 117.3 Ų | 117.3 | 55% | 0.552 | 67% | 0.665 | S | S | * | * | 88.9 | 105.4 | 127.9 | 62.3 | 0 | 0 | 0 | 0 | 123.8 | R901 | T216-R901 VanDerWaalsContact O-CZ 3.3Å; T216-R901 PolarHBondContact O-NH1 3.43Å; T216-R901 PolarHBondContact O-NH2 3.28Å | |||
| 217 | N | 33.8 | Very low | 30.5 | Very low | 76 Ų | 76 | 115.8 Ų | 115.8 | 41% | 0.406 | 66% | 0.664 | S | S | . | * | 81.3 | 155.6 | 119.4 | -70 | -13.5 | 0 | 0 | 0 | 124.8 | R901 | N217-R901 PolarHBondContact O-NH2 2.95Š| |||
| 218 | Q | 34.8 | Very low | 30.5 | Very low | 170 Ų | 170 | 118.3 Ų | 118.3 | 79% | 0.794 | 68% | 0.676 | S | S | * | * | trans | 77.7 | 157.7 | 171.4 | -71.8 | -165.9 | -3.1 | 0 | 0 | 119.6 | ||||
| 219 | T | 29.9 | Very low | 30.4 | Very low | 115 Ų | 115 | 118.5 Ų | 118.5 | 71% | 0.706 | 68% | 0.677 | S | S | * | * | trans | -142 | 145.1 | -146.5 | 44.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 220 | K | 30.9 | Very low | 30.2 | Very low | 205 Ų | 205 | 120.5 Ų | 120.5 | 89% | 0.891 | 70% | 0.696 | S | S | * | * | trans | -166.3 | 151.3 | 147 | -117 | 171.7 | -177.2 | 177.9 | 0 | 110.4 | ||||
| 221 | A | 27 | Very low | 30 | Very low | 71 Ų | 71 | 125.8 Ų | 125.8 | 59% | 0.587 | 71% | 0.714 | S | S | * | * | trans | -131.6 | 146.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | H426 | A221-H426 PolarHBondContact O-CE1 3.31Š| ||
| 222 | H | 29.1 | Very low | 29.9 | Very low | 127 Ų | 127 | 124.3 Ų | 124.3 | 59% | 0.588 | 71% | 0.708 | S | S | * | * | trans | -142.2 | 144.5 | 162.7 | -90.8 | -93.5 | 0 | 0 | 0 | 108.5 | H426 | H222-H426 AromaticContact CD2-NE2 3.63Å; H222-H426 AromaticContact CE1-CE1 3.99Å; H222-H426 AromaticContact CE1-NE2 3.19Å; H222-H426 PolarHBondContact CE1-NE2 3.17Å; H222-H426 AromaticContact ND1-NE2 3.87Å; H222-H426 AromaticContact NE2-CD2 3.87Å; H222-H426 AromaticContact NE2-CE1 3.95Å; H222-H426 AromaticContact NE2-NE2 2.98Å; H222-H426 PolarHBondContact NE2-NE2 3.18Å | ||
| 223 | V | 23.2 | Very low | 29.5 | Very low | 116 Ų | 116 | 122.5 Ų | 122.5 | 70% | 0.703 | 68% | 0.682 | S | S | * | * | trans | -122.8 | 144.3 | -175.5 | 171.6 | 0 | 0 | 0 | 0 | 108.9 | V225 | V223-V225 HydrophobicContact CG1-CG2 3.85Š| ||
| 224 | Y | 26.9 | Very low | 29.3 | Very low | 228 Ų | 228 | 122.9 Ų | 122.9 | 89% | 0.894 | 68% | 0.68 | S | S | * | * | trans | -133.6 | 142.3 | 162.1 | -96 | -86.8 | 0 | 0 | 0 | 109.3 | ||||
| 225 | V | 24.7 | Very low | 29 | Very low | 125 Ų | 125 | 119.8 Ų | 119.8 | 76% | 0.758 | 68% | 0.675 | S | S | * | * | trans | -138.7 | 137.9 | -175.4 | 173.3 | 0 | 0 | 0 | 0 | 109.1 | V223 | V223-V225 HydrophobicContact CG1-CG2 3.85Š| ||
| 226 | S | 26.5 | Very low | 28.8 | Very low | 109 Ų | 109 | 118.5 Ų | 118.5 | 76% | 0.762 | 67% | 0.667 | S | S | * | * | trans | -166.4 | 149.2 | 166.8 | -142.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 227 | P | 30.3 | Very low | 28.5 | Very low | 107 Ų | 107 | 118.1 Ų | 118.1 | 70% | 0.695 | 68% | 0.681 | S | S | * | * | -135 | 118.7 | -56.2 | 34.6 | -20 | 0 | 0 | 0 | 112.7 | |||||
| 228 | T | 27.6 | Very low | 28.5 | Very low | 139 Ų | 139 | 120.5 Ų | 120.5 | 85% | 0.853 | 69% | 0.694 | S | S | * | * | trans | -150.2 | 150.3 | 166.3 | 39.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 229 | V | 30.6 | Very low | 28.3 | Very low | 139 Ų | 139 | 119.9 Ų | 119.9 | 84% | 0.842 | 70% | 0.696 | S | S | * | * | trans | 77.9 | 121.9 | 174.5 | -169.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 230 | A | 29.6 | Very low | 28.4 | Very low | 76 Ų | 76 | 119.1 Ų | 119.1 | 63% | 0.628 | 69% | 0.693 | S | S | * | * | trans | -144.8 | 146.2 | 148.3 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 231 | Y | 26.8 | Very low | 28.6 | Very low | 199 Ų | 199 | 118.1 Ų | 118.1 | 78% | 0.78 | 69% | 0.692 | S | S | * | * | cis | -131.8 | 120.9 | 10.2 | -68.5 | -105.4 | 0 | 0 | 0 | 111.7 | S435 | Y231-S435 PolarHBondContact O-OG 3Š| ||
| 232 | A | 26.4 | Very low | 28.8 | Very low | 77 Ų | 77 | 121.4 Ų | 121.4 | 64% | 0.636 | 70% | 0.699 | S | S | * | * | trans | -131.8 | 140.7 | 156.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 233 | T | 26.5 | Very low | 28.7 | Very low | 39 Ų | 39 | 122.6 Ų | 122.6 | 24% | 0.239 | 71% | 0.709 | C | S | . | * | B | Isolated β-bridge | trans | -139.3 | 140.1 | -162 | 55.7 | 0 | 0 | 0 | 0 | 112.1 | L433 V434 S435 | T233-L433 CarbonylContact C-O 3.59Å; T233-L433 VanDerWaalsContact CB-CB 3.46Å; T233-L433 WeakPolarHBondContact CB-O 3.01Å; T233-L433 HydrophobicContact CG2-CB 3.77Å; T233-L433 HydrophobicContact CG2-CD1 4.3Å; T233-L433 VanDerWaalsContact O-O 3.1Å; T233-L433 PolarHBondContact OG1-O 2.86Å; T233-V434 VanDerWaalsContact OG1-CA 3.29Å; T233-V434 WeakPolarHBondContact OG1-CA 3.46Å; T233-V434 PolarHBondContact OG1-N 3.39Å; T233-S435 PolarHBondContact OG1-N 3.48Å |
| 234 | V | 26.2 | Very low | 29 | Very low | 105 Ų | 105 | 121.4 Ų | 121.4 | 64% | 0.636 | 71% | 0.712 | S | S | * | * | trans | -107.5 | 137.7 | -164.8 | -177.7 | 0 | 0 | 0 | 0 | 110.9 | I236 | V234-I236 HydrophobicContact CG1-CG1 4Š| ||
| 235 | S | 27.2 | Very low | 29.2 | Very low | 88 Ų | 88 | 116 Ų | 116 | 62% | 0.615 | 71% | 0.708 | S | S | * | * | trans | -102.4 | 141.4 | 161.2 | -169.6 | 0 | 0 | 0 | 0 | 110 | A432 | S235-A432 WeakPolarHBondContact OG-CB 3.27Š| ||
| 236 | I | 30.3 | Very low | 29.4 | Very low | 87 Ų | 87 | 114.6 Ų | 114.6 | 45% | 0.446 | 71% | 0.709 | S | S | . | * | trans | -120.5 | 119.3 | -169.9 | -65.2 | 171.8 | 0 | 0 | 0 | 108.8 | V234 S430 | V234-I236 HydrophobicContact CG1-CG1 4Å; I236-S430 WeakPolarHBondContact CD1-OG 3.04Å | ||
| 237 | G | 29.9 | Very low | 29.5 | Very low | 82 Ų | 82 | 116.3 Ų | 116.3 | 85% | 0.845 | 71% | 0.708 | S | S | * | * | trans | -86.2 | 107.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 238 | N | 33.4 | Very low | 29.6 | Very low | 126 Ų | 126 | 116.4 Ų | 116.4 | 67% | 0.674 | 71% | 0.707 | S | S | * | * | trans | -80 | 147.3 | 168.5 | -71.4 | -13 | 0 | 0 | 0 | 110.2 | ||||
| 239 | N | 31.7 | Very low | 29.7 | Very low | 158 Ų | 158 | 114.9 Ų | 114.9 | 85% | 0.845 | 70% | 0.698 | S | S | * | * | trans | -116.5 | 115.6 | 162.8 | -163 | 2.9 | 0 | 0 | 0 | 108.4 | ||||
| 240 | P | 32.1 | Very low | 29.8 | Very low | 98 Ų | 98 | 115.4 Ų | 115.4 | 64% | 0.636 | 69% | 0.694 | S | S | * | * | trans | -98.8 | 147.9 | -170.2 | 36.2 | -33.6 | 0 | 0 | 0 | 113.5 | ||||
| 241 | Q | 34.7 | Very low | 29.9 | Very low | 184 Ų | 184 | 119.3 Ų | 119.3 | 86% | 0.86 | 70% | 0.704 | S | S | * | * | trans | -170 | 167.5 | 139.7 | -113.2 | 173.7 | 71.4 | 0 | 0 | 112.8 | ||||
| 242 | L | 30.4 | Very low | 30.3 | Very low | 141 Ų | 141 | 115 Ų | 115 | 74% | 0.738 | 70% | 0.701 | S | S | * | * | trans | 67.8 | 78.1 | 167.4 | -71 | 153.4 | 0 | 0 | 0 | 117.7 | ||||
| 243 | N | 27.6 | Very low | 30.6 | Very low | 151 Ų | 151 | 115 Ų | 115 | 81% | 0.807 | 70% | 0.7 | S | S | * | * | 35.2 | 117.4 | 112.6 | -50.9 | -9 | 0 | 0 | 0 | 118.5 | |||||
| 244 | A | 29.9 | Very low | 30.9 | Very low | 91 Ų | 91 | 120.3 Ų | 120.3 | 75% | 0.752 | 73% | 0.727 | S | S | * | * | -177 | 127.4 | 104.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 245 | S | 30.3 | Very low | 31.3 | Very low | 116 Ų | 116 | 122.1 Ų | 122.1 | 81% | 0.811 | 72% | 0.724 | S | S | * | * | trans | 54.3 | 134.6 | 138.2 | -55.2 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 246 | A | 30 | Very low | 31.8 | Very low | 94 Ų | 94 | 123.2 Ų | 123.2 | 78% | 0.777 | 73% | 0.728 | S | S | * | * | trans | 73.1 | 137.9 | 148.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 247 | L | 29.2 | Very low | 31.9 | Very low | 145 Ų | 145 | 125.2 Ų | 125.2 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | cis | -162.9 | 157.8 | -8.3 | -151.6 | 72.8 | 0 | 0 | 0 | 110 | ||||
| 248 | T | 30.8 | Very low | 32.1 | Very low | 109 Ų | 109 | 126.5 Ų | 126.5 | 67% | 0.669 | 73% | 0.733 | S | S | * | * | trans | 56.2 | 134.9 | 149.9 | 44.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 249 | T | 30.7 | Very low | 31.8 | Very low | 108 Ų | 108 | 129.3 Ų | 129.3 | 66% | 0.663 | 73% | 0.734 | S | S | * | * | cis | -171.6 | 162.2 | -0.5 | 7.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 250 | I | 32.8 | Very low | 31.7 | Very low | 149 Ų | 149 | 132.1 Ų | 132.1 | 76% | 0.764 | 73% | 0.734 | S | S | * | * | trans | 58.4 | 103.7 | 144.7 | -65.1 | 163.1 | 0 | 0 | 0 | 115.6 | ||||
| 251 | L | 30.4 | Very low | 31.6 | Very low | 158 Ų | 158 | 133 Ų | 133 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | cis | 57.7 | 152.6 | 36.2 | -114.7 | 76 | 0 | 0 | 0 | 113.7 | ||||
| 252 | P | 35.2 | Very low | 31.2 | Very low | 110 Ų | 110 | 131.1 Ų | 131.1 | 71% | 0.714 | 74% | 0.738 | S | S | * | * | cis | -145 | -161.6 | 5.6 | 41.9 | -19.9 | 0 | 0 | 0 | 116.3 | ||||
| 253 | A | 32.8 | Very low | 31.2 | Very low | 75 Ų | 75 | 128.8 Ų | 128.8 | 62% | 0.62 | 74% | 0.74 | S | S | * | * | trans | 78.7 | 143.6 | 140.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 254 | N | 33.5 | Very low | 31.1 | Very low | 152 Ų | 152 | 126.9 Ų | 126.9 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | cis | -165.5 | -177 | -3.1 | -105.6 | -5.7 | 0 | 0 | 0 | 107.6 | ||||
| 255 | Y | 34.4 | Very low | 31.1 | Very low | 143 Ų | 143 | 126.3 Ų | 126.3 | 56% | 0.561 | 75% | 0.748 | S | S | * | * | cis | -179.2 | 170.2 | -40.7 | -149.5 | -124.4 | 0 | 0 | 0 | 104.5 | L257 | Y255-L257 PolarHBondContact OH-O 2.98Š| ||
| 256 | P | 36.9 | Very low | 31 | Very low | 110 Ų | 110 | 129.5 Ų | 129.5 | 71% | 0.714 | 75% | 0.75 | S | S | * | * | cis | -134.8 | 164.9 | 14.7 | 43.6 | -25.7 | 0 | 0 | 0 | 119.2 | ||||
| 257 | L | 34.3 | Very low | 30.8 | Very low | 129 Ų | 129 | 131.3 Ų | 131.3 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | trans | -131.4 | 153.6 | 162.5 | -87.8 | 154.7 | 0 | 0 | 0 | 109.2 | Y255 | Y255-L257 PolarHBondContact OH-O 2.98Š| ||
| 258 | P | 33.7 | Very low | 30.8 | Very low | 109 Ų | 109 | 134.4 Ų | 134.4 | 71% | 0.708 | 75% | 0.745 | S | S | * | * | trans | -111.2 | 134.5 | 140.2 | 33.4 | -25 | 0 | 0 | 0 | 109.6 | ||||
| 259 | R | 26.3 | Very low | 30.8 | Very low | 185 Ų | 185 | 134 Ų | 134 | 70% | 0.698 | 75% | 0.747 | S | S | * | * | 64.8 | 133.7 | 53.8 | -58.7 | -174.6 | -179.4 | -158.4 | -1.2 | 111 | |||||
| 260 | Y | 30 | Very low | 30.8 | Very low | 217 Ų | 217 | 135.6 Ų | 135.6 | 85% | 0.851 | 76% | 0.757 | S | S | * | * | cis | -124.9 | 141.7 | 40.2 | -61.8 | -90.6 | 0 | 0 | 0 | 111.5 | ||||
| 261 | V | 30.5 | Very low | 30.8 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 72% | 0.715 | 76% | 0.758 | S | S | * | * | 73.5 | 116.7 | 63.1 | 178.9 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 262 | V | 24.8 | Very low | 31 | Very low | 143 Ų | 143 | 131.5 Ų | 131.5 | 87% | 0.867 | 76% | 0.756 | S | S | * | * | trans | -123.7 | 142.5 | 167.4 | 173.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 263 | A | 31.2 | Very low | 31.2 | Very low | 93 Ų | 93 | 131.7 Ų | 131.7 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | trans | -111.4 | 143.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 264 | A | 25.4 | Very low | 31.5 | Very low | 110 Ų | 110 | 133.9 Ų | 133.9 | 91% | 0.909 | 75% | 0.752 | S | S | * | * | trans | -93.1 | 150.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 265 | G | 29.6 | Very low | 31.6 | Very low | 80 Ų | 80 | 132 Ų | 132 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | trans | -150.8 | 148.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 266 | E | 28 | Very low | 31.5 | Very low | 182 Ų | 182 | 131.9 Ų | 131.9 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | trans | -121.5 | 173.4 | -159.8 | -155.6 | -177.6 | 171.5 | 0 | 0 | 113 | ||||
| 267 | M | 27.3 | Very low | 31.3 | Very low | 133 Ų | 133 | 132.5 Ų | 132.5 | 66% | 0.655 | 76% | 0.757 | S | S | * | * | trans | 87.3 | 120.9 | 160 | -72.1 | -152.8 | 172.9 | 0 | 0 | 122 | ||||
| 268 | R | 28.9 | Very low | 31.1 | Very low | 209 Ų | 209 | 132.2 Ų | 132.2 | 79% | 0.789 | 76% | 0.76 | S | S | * | * | 76 | 101.6 | 127.9 | -69.8 | 179.2 | 171.2 | -179.7 | -3.4 | 122.4 | |||||
| 269 | S | 30 | Very low | 31 | Very low | 101 Ų | 101 | 131.3 Ų | 131.3 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | 78.4 | 152.2 | 103.4 | -149.5 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 270 | T | 31.3 | Very low | 31.3 | Very low | 142 Ų | 142 | 129.8 Ų | 129.8 | 87% | 0.871 | 76% | 0.763 | S | S | * | * | trans | 65.5 | 144.1 | 171 | 60.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 271 | G | 32.5 | Very low | 31.3 | Very low | 76 Ų | 76 | 127 Ų | 127 | 78% | 0.784 | 76% | 0.761 | S | S | * | * | trans | -172 | -39.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 272 | N | 35.5 | Very low | 31.3 | Very low | 145 Ų | 145 | 126.7 Ų | 126.7 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | trans | 67 | 151 | 170.2 | -110.1 | 14.5 | 0 | 0 | 0 | 120.6 | ||||
| 273 | N | 38.2 | Very low | 31.7 | Very low | 113 Ų | 113 | 129.8 Ų | 129.8 | 60% | 0.604 | 75% | 0.752 | S | S | * | * | trans | 73.8 | 105.8 | 141.2 | -69.3 | 7 | 0 | 0 | 0 | 123.3 | ||||
| 274 | N | 38.6 | Very low | 31.9 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 65% | 0.647 | 76% | 0.755 | S | S | * | * | 120.6 | 122.4 | 99.5 | -82.6 | 4.2 | 0 | 0 | 0 | 120.6 | |||||
| 275 | T | 36.7 | Very low | 32.4 | Very low | 112 Ų | 112 | 132.7 Ų | 132.7 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | trans | 68.4 | 147.4 | 140 | 61.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 276 | N | 32.2 | Very low | 32.4 | Very low | 141 Ų | 141 | 132.8 Ų | 132.8 | 75% | 0.754 | 73% | 0.726 | S | S | * | * | cis | -166.5 | 179.9 | -13.4 | -102.6 | -9.1 | 0 | 0 | 0 | 109.5 | ||||
| 277 | V | 32.5 | Very low | 32.4 | Very low | 124 Ų | 124 | 125.4 Ų | 125.4 | 75% | 0.752 | 70% | 0.699 | S | S | * | * | trans | 85.4 | 80.1 | 157 | -162.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 278 | T | 29.7 | Very low | 32.5 | Very low | 122 Ų | 122 | 121.5 Ų | 121.5 | 75% | 0.748 | 68% | 0.682 | S | S | * | * | 52.1 | 151.4 | 126.6 | 64.1 | 0 | 0 | 0 | 0 | 126 | |||||
| 279 | S | 31.7 | Very low | 32.4 | Very low | 91 Ų | 91 | 116.6 Ų | 116.6 | 64% | 0.636 | 67% | 0.671 | S | S | * | * | trans | 82 | 102.9 | 141.1 | 51.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 280 | D | 31.8 | Very low | 32.2 | Very low | 153 Ų | 153 | 117.5 Ų | 117.5 | 82% | 0.818 | 67% | 0.666 | S | S | * | * | 82.2 | 94.2 | 119.8 | -54.3 | -16 | 0 | 0 | 0 | 122.7 | |||||
| 281 | L | 30.5 | Very low | 31.9 | Very low | 157 Ų | 157 | 113.4 Ų | 113.4 | 82% | 0.822 | 65% | 0.652 | S | S | * | * | 104.4 | 131 | 111.4 | -162.8 | 62.4 | 0 | 0 | 0 | 120.1 | |||||
| 282 | D | 31.6 | Very low | 31.7 | Very low | 113 Ų | 113 | 116.4 Ų | 116.4 | 60% | 0.604 | 66% | 0.656 | S | S | * | * | trans | 67.3 | 91.3 | 162.5 | -79.3 | -20.4 | 0 | 0 | 0 | 123.6 | ||||
| 283 | R | 32.1 | Very low | 31.4 | Very low | 208 Ų | 208 | 114.4 Ų | 114.4 | 79% | 0.785 | 65% | 0.65 | S | S | * | * | 81.7 | 93.1 | 115.1 | -74.3 | 173.1 | 175.9 | -168.4 | -6.2 | 122 | |||||
| 284 | L | 35.3 | Very low | 30.9 | Very low | 158 Ų | 158 | 114.9 Ų | 114.9 | 83% | 0.827 | 65% | 0.652 | S | S | * | * | 64.4 | 145.3 | 121.9 | -88.3 | 72.8 | 0 | 0 | 0 | 121.2 | |||||
| 285 | P | 37.2 | Very low | 30.3 | Very low | 105 Ų | 105 | 115.9 Ų | 115.9 | 68% | 0.682 | 66% | 0.656 | S | S | * | * | cis | -138.7 | 163.8 | -36.7 | 33.4 | -14.1 | 0 | 0 | 0 | 116.4 | ||||
| 286 | D | 29.2 | Very low | 29.9 | Very low | 83 Ų | 83 | 115.7 Ų | 115.7 | 44% | 0.444 | 65% | 0.65 | S | S | . | * | trans | -79.5 | -177.6 | 168.7 | -120 | -9 | 0 | 0 | 0 | 112.2 | K875 G877 | D286-K875 WeakPolarHBondContact OD1-CB 3.44Å; D286-K875 WeakPolarHBondContact OD1-CD 3.42Å; D286-K875 WeakPolarHBondContact OD1-CE 3.35Å; D286-K875 WeakPolarHBondContact OD1-CG 3.36Å; D286-K875 IonicContact OD1-NZ 2.63Å; D286-K875 VanDerWaalsContact OD2-CE 3.28Å; D286-K875 WeakPolarHBondContact OD2-CE 3.35Å; D286-K875 IonicContact OD2-NZ 3.37Å; D286-K875 PolarHBondContact OD2-NZ 3.39Å; D286-G877 CarbonylContact C-O 3.16Å | ||
| 287 | G | 26.7 | Very low | 29.7 | Very low | 27 Ų | 27 | 112.5 Ų | 112.5 | 28% | 0.278 | 64% | 0.639 | S | S | . | * | cis | 175.9 | -12.1 | 9.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | L876 G877 | G287-L876 CarbonylContact C-O 3.54Å; G287-L876 WeakPolarHBondContact CA-O 3.06Å; G287-G877 PolarHBondContact N-O 3.04Å | ||
| 288 | T | 29.9 | Very low | 29.4 | Very low | 50 Ų | 50 | 108.6 Ų | 108.6 | 31% | 0.307 | 62% | 0.62 | S | S | . | * | trans | 77.1 | 146.4 | -179.6 | -18.2 | 0 | 0 | 0 | 0 | 119.5 | G877 L878 E879 | T288-G877 WeakPolarHBondContact OG1-CA 3.34Å; T288-L878 WeakPolarHBondContact CA-O 3.29Å; T288-L878 WeakPolarHBondContact CB-O 3.46Å; T288-L878 HydrophobicContact CG2-CB 4Å; T288-L878 HydrophobicContact CG2-CD2 3.7Å; T288-L878 HydrophobicContact CG2-CG 4.18Å; T288-L878 WeakPolarHBondContact CG2-O 3.33Å; T288-L878 PolarHBondContact N-O 3.19Å; T288-L878 PolarHBondContact OG1-O 2.83Å; T288-E879 HydrophobicContact CG2-CG 3.55Å | ||
| 289 | I | 27.3 | Very low | 29.4 | Very low | 107 Ų | 107 | 107.3 Ų | 107.3 | 55% | 0.549 | 61% | 0.608 | S | S | . | * | trans | 108.4 | 92.5 | 149.1 | -62.7 | -166.7 | 0 | 0 | 0 | 119.5 | E879 | I289-E879 VanDerWaalsContact C-OE2 3.32Å; I289-E879 WeakPolarHBondContact CA-OE2 3.41Å; I289-E879 PolarHBondContact N-OE2 2.03Å | ||
| 290 | I | 25.1 | Very low | 29.2 | Very low | 119 Ų | 119 | 108.1 Ų | 108.1 | 61% | 0.61 | 61% | 0.614 | S | S | * | * | 64.5 | 104.6 | 128.7 | -56.2 | 177.3 | 0 | 0 | 0 | 119.4 | E879 | I290-E879 PolarHBondContact N-OE2 3.36Š| |||
| 291 | G | 24.6 | Very low | 29 | Very low | 56 Ų | 56 | 106.7 Ų | 106.7 | 58% | 0.577 | 62% | 0.616 | S | S | * | * | 115 | 98.5 | 87.2 | 0 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 292 | T | 28.8 | Very low | 28.9 | Very low | 140 Ų | 140 | 107.3 Ų | 107.3 | 86% | 0.859 | 62% | 0.62 | S | S | * | * | trans | 66.8 | 177.3 | 139.6 | 69.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 293 | P | 29.1 | Very low | 28.7 | Very low | 102 Ų | 102 | 105.3 Ų | 105.3 | 66% | 0.662 | 63% | 0.626 | S | S | * | * | cis | -134.5 | 154.8 | -13.9 | 18.6 | 6.7 | 0 | 0 | 0 | 118.5 | ||||
| 294 | I | 27.4 | Very low | 28.4 | Very low | 124 Ų | 124 | 101.6 Ų | 101.6 | 64% | 0.636 | 63% | 0.626 | S | S | * | * | trans | 57.8 | 128.6 | 135.1 | -55.8 | 165 | 0 | 0 | 0 | 122.6 | V887 | I294-V887 HydrophobicContact CG1-CG2 4.46Å; I294-V887 HydrophobicContact CG2-CG1 4.39Å; I294-V887 HydrophobicContact CG2-CG2 3.99Å | ||
| 295 | L | 27.7 | Very low | 28.2 | Very low | 142 Ų | 142 | 101.9 Ų | 101.9 | 74% | 0.743 | 63% | 0.627 | S | S | * | * | trans | 175.2 | -178 | 130.7 | -93.8 | 179.2 | 0 | 0 | 0 | 114.4 | V887 | L295-V887 WeakPolarHBondContact O-CG1 3.43Š| ||
| 296 | L | 26.9 | Very low | 27.8 | Very low | 108 Ų | 108 | 101.1 Ų | 101.1 | 57% | 0.565 | 63% | 0.629 | S | S | * | * | -147.3 | 148.9 | -128.2 | -101.2 | 154.3 | 0 | 0 | 0 | 115.8 | V887 | L296-V887 HydrophobicContact CG-CG1 4.26Š| |||
| 297 | S | 27.6 | Very low | 27.7 | Very low | 74 Ų | 74 | 100.5 Ų | 100.5 | 52% | 0.517 | 64% | 0.643 | S | S | . | * | trans | 139.3 | 85.1 | 137.7 | -172.3 | 0 | 0 | 0 | 0 | 120 | T888 L889 P890 A891 | S297-T888 PolarHBondContact N-O 3.38Å; S297-L889 VanDerWaalsContact C-C 3.47Å; S297-L889 CarbonylContact C-O 3.48Å; S297-L889 VanDerWaalsContact CA-O 3.3Å; S297-L889 WeakPolarHBondContact CA-O 3.33Å; S297-L889 PolarHBondContact N-O 2.81Å; S297-P890 CarbonylContact O-C 3.54Å; S297-P890 WeakPolarHBondContact O-CA 3.49Å; S297-A891 PolarHBondContact O-N 3.07Å | ||
| 298 | A | 28.1 | Very low | 27.9 | Very low | 41 Ų | 41 | 106.7 Ų | 106.7 | 34% | 0.339 | 67% | 0.669 | S | S | . | * | trans | -14.1 | 144.6 | 175 | 0 | 0 | 0 | 0 | 0 | 127.9 | L889 P890 A891 | A298-L889 VanDerWaalsContact CA-C 3.48Å; A298-L889 HydrophobicContact CB-CD1 3.46Å; A298-L889 VanDerWaalsContact CB-CD1 3.46Å; A298-L889 PolarHBondContact N-O 3.47Å; A298-P890 CarbonylContact C-O 3.58Å; A298-P890 VanDerWaalsContact C-O 3.24Å; A298-P890 CarbonylContact O-C 3.56Å; A298-A891 CarbonylContact O-C 3.55Å; A298-A891 PolarHBondContact O-N 2.8Å | ||
| 299 | N | 29 | Very low | 28.1 | Very low | 95 Ų | 95 | 111.5 Ų | 111.5 | 51% | 0.508 | 69% | 0.692 | S | S | . | * | trans | 175.6 | -168.6 | 135.4 | -99.6 | -10.8 | 0 | 0 | 0 | 116.3 | P890 A891 N892 | N299-P890 VanDerWaalsContact N-C 3.28Å; N299-P890 PolarHBondContact N-O 3.32Å; N299-A891 WeakPolarHBondContact CB-O 3.3Å; N299-A891 PolarHBondContact ND2-O 3.38Å; N299-N892 PolarHBondContact ND2-O 3.44Å | ||
| 300 | S | 26.8 | Very low | 28.6 | Very low | 109 Ų | 109 | 111.8 Ų | 111.8 | 76% | 0.762 | 70% | 0.7 | S | S | * | * | trans | -131.9 | 148.4 | -156.9 | 59.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 301 | S | 29 | Very low | 29 | Very low | 123 Ų | 123 | 113 Ų | 113 | 86% | 0.86 | 71% | 0.708 | S | S | * | * | trans | -175.2 | 165.9 | 137.4 | 57.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 302 | N | 26.7 | Very low | 29.3 | Very low | 170 Ų | 170 | 114.8 Ų | 114.8 | 91% | 0.909 | 71% | 0.712 | S | S | * | * | trans | -73.1 | 164.6 | -170.8 | -59.5 | -32.3 | 0 | 0 | 0 | 117.2 | ||||
| 303 | G | 27.2 | Very low | 29.4 | Very low | 70 Ų | 70 | 113.3 Ų | 113.3 | 72% | 0.722 | 71% | 0.707 | S | S | * | * | trans | 140.5 | 98.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 304 | V | 27.3 | Very low | 29.6 | Very low | 130 Ų | 130 | 113.8 Ų | 113.8 | 79% | 0.788 | 71% | 0.713 | S | S | * | * | 71.7 | 103.7 | 51.6 | -173.2 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 305 | I | 29.9 | Very low | 29.7 | Very low | 164 Ų | 164 | 112.2 Ų | 112.2 | 84% | 0.841 | 72% | 0.718 | S | S | * | * | trans | 175.6 | 124 | 137 | -84.3 | 148.4 | 0 | 0 | 0 | 105 | ||||
| 306 | A | 29.2 | Very low | 29.9 | Very low | 89 Ų | 89 | 112.9 Ų | 112.9 | 74% | 0.736 | 72% | 0.723 | S | S | * | * | cis | 103.1 | 121.9 | 7.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 307 | G | 28.3 | Very low | 29.9 | Very low | 71 Ų | 71 | 115.9 Ų | 115.9 | 73% | 0.732 | 74% | 0.738 | S | S | * | * | trans | 90.5 | 151.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 308 | L | 30.5 | Very low | 30 | Very low | 156 Ų | 156 | 117.2 Ų | 117.2 | 82% | 0.817 | 74% | 0.739 | S | S | * | * | cis | -145 | 138.4 | -4.4 | -69.1 | 166.9 | 0 | 0 | 0 | 106.5 | ||||
| 309 | L | 33.4 | Very low | 29.9 | Very low | 152 Ų | 152 | 118.7 Ų | 118.7 | 80% | 0.796 | 75% | 0.747 | S | S | * | * | 67.4 | 145.4 | 64 | -76.4 | 172.2 | 0 | 0 | 0 | 115.1 | |||||
| 310 | P | 38.3 | Very low | 29.6 | Very low | 112 Ų | 112 | 119.2 Ų | 119.2 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | cis | -121 | -160.6 | -8.5 | 44.7 | -28.3 | 0 | 0 | 0 | 111.9 | ||||
| 311 | D | 33 | Very low | 29.4 | Very low | 146 Ų | 146 | 120.7 Ų | 120.7 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | -153.2 | 179.5 | 68.1 | -146.4 | -25.2 | 0 | 0 | 0 | 114.3 | |||||
| 312 | S | 31.1 | Very low | 29.2 | Very low | 92 Ų | 92 | 120.8 Ų | 120.8 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | trans | -82.7 | 140.7 | -144.5 | 44.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 313 | S | 31.7 | Very low | 29 | Very low | 109 Ų | 109 | 123 Ų | 123 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | 132.7 | 147.2 | 115.7 | 71.9 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 314 | S | 32.1 | Very low | 28.8 | Very low | 112 Ų | 112 | 126.2 Ų | 126.2 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | trans | 76.2 | 61.4 | 163.4 | 69.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 315 | A | 30 | Very low | 28.7 | Very low | 91 Ų | 91 | 128.6 Ų | 128.6 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | 57.9 | 150.1 | 124.7 | 0 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 316 | N | 31.1 | Very low | 28.4 | Very low | 157 Ų | 157 | 129.6 Ų | 129.6 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | trans | 71.7 | 66.6 | 158.8 | -65.8 | -21.2 | 0 | 0 | 0 | 119.2 | ||||
| 317 | I | 28.1 | Very low | 28.3 | Very low | 171 Ų | 171 | 128.9 Ų | 128.9 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | trans | -79.1 | 121.5 | 156.6 | -61.8 | 173.5 | 0 | 0 | 0 | 109.7 | ||||
| 318 | N | 29.8 | Very low | 28.1 | Very low | 102 Ų | 102 | 135.1 Ų | 135.1 | 55% | 0.545 | 77% | 0.767 | S | S | . | * | trans | -131.7 | 137 | 162.5 | -114.4 | -65.3 | 0 | 0 | 0 | 109 | S320 | N318-S320 PolarHBondContact O-N 2.85Š| ||
| 319 | S | 24.7 | Very low | 28.3 | Very low | 71 Ų | 71 | 133.7 Ų | 133.7 | 50% | 0.497 | 77% | 0.767 | S | S | . | * | trans | -78.9 | 116 | -158.1 | 60.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 320 | S | 24.1 | Very low | 27.9 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | trans | -153.7 | 157.2 | 161.1 | 57.4 | 0 | 0 | 0 | 0 | 111.9 | N318 | N318-S320 PolarHBondContact O-N 2.85Š| ||
| 321 | V | 22.9 | Very low | 27.5 | Very low | 141 Ų | 141 | 136.1 Ų | 136.1 | 86% | 0.855 | 77% | 0.77 | S | S | * | * | trans | -80.6 | 119.1 | -177.9 | 175.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 322 | T | 23.5 | Very low | 27.4 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 77% | 0.767 | 77% | 0.77 | S | S | * | * | trans | -149.6 | 144.3 | 159 | -32.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 323 | Y | 23.3 | Very low | 27.2 | Very low | 217 Ų | 217 | 135.8 Ų | 135.8 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | trans | -71.8 | 153.8 | 166.2 | -61.6 | -104.8 | 0 | 0 | 0 | 111.3 | ||||
| 324 | V | 23.2 | Very low | 27.1 | Very low | 137 Ų | 137 | 135.8 Ų | 135.8 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | trans | -164 | 146.9 | 138.9 | 127.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 325 | K | 23.8 | Very low | 27 | Very low | 179 Ų | 179 | 138 Ų | 138 | 78% | 0.778 | 77% | 0.77 | S | S | * | * | trans | 16.2 | 117.8 | 166.6 | -65.6 | 178 | 173.9 | 176.8 | 0 | 119.8 | ||||
| 326 | L | 24.8 | Very low | 26.9 | Very low | 185 Ų | 185 | 140.5 Ų | 140.5 | 97% | 0.969 | 77% | 0.766 | S | S | * | * | -75.9 | 110 | 128.3 | -84.1 | 160.1 | 0 | 0 | 0 | 108 | |||||
| 327 | A | 25.9 | Very low | 26.7 | Very low | 75 Ų | 75 | 141.3 Ų | 141.3 | 62% | 0.62 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 157.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 328 | K | 24.7 | Very low | 26.7 | Very low | 202 Ų | 202 | 139.2 Ų | 139.2 | 88% | 0.878 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 141.7 | 173.2 | -63.3 | -179.3 | 179.1 | -177.9 | 0 | 109.9 | F330 | K328-F330 PolarHBondContact O-N 3.35Š|
| 329 | P | 33.9 | Very low | 26.6 | Very low | 125 Ų | 125 | 138.8 Ų | 138.8 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 132.9 | 165.6 | 28.5 | -33.1 | 0 | 0 | 0 | 109.5 | ||
| 330 | F | 25.3 | Very low | 26.9 | Very low | 193 Ų | 193 | 142.4 Ų | 142.4 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | -117.8 | 136.8 | 169.7 | -169.1 | -80.4 | 0 | 0 | 0 | 107.2 | K328 | K328-F330 PolarHBondContact O-N 3.35Š| ||
| 331 | V | 30.4 | Very low | 27.2 | Very low | 123 Ų | 123 | 144.4 Ų | 144.4 | 75% | 0.745 | 78% | 0.783 | S | S | * | * | trans | -117 | 101.7 | -170.3 | 178.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 332 | V | 32.1 | Very low | 27.6 | Very low | 130 Ų | 130 | 140.9 Ų | 140.9 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | trans | 67.7 | 162.7 | 149.1 | -176 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 333 | S | 26.1 | Very low | 28 | Very low | 100 Ų | 100 | 142.2 Ų | 142.2 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | -134.6 | 159.7 | -163.1 | -175.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 334 | C | 29.9 | Very low | 28.5 | Very low | 109 Ų | 109 | 136.6 Ų | 136.6 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | -162.3 | 139.8 | 122.4 | -103.7 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 335 | E | 30 | Very low | 28.9 | Very low | 158 Ų | 158 | 134.8 Ų | 134.8 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | trans | 26.2 | 151.8 | 134.1 | -61.3 | -169.1 | 131.1 | 0 | 0 | 122.7 | ||||
| 336 | Q | 28.3 | Very low | 29.4 | Very low | 145 Ų | 145 | 133.9 Ų | 133.9 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | cis | -173.4 | 141.7 | -15.9 | 169.1 | 163.9 | -116.3 | 0 | 0 | 110.6 | ||||
| 337 | K | 27 | Very low | 29.7 | Very low | 174 Ų | 174 | 129.2 Ų | 129.2 | 76% | 0.757 | 71% | 0.712 | S | S | * | * | trans | 63.7 | 126 | 159.9 | -83 | -178 | 175.8 | 178.8 | 0 | 122.4 | ||||
| 338 | V | 26.7 | Very low | 30 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 77% | 0.77 | 71% | 0.71 | S | S | * | * | 82.5 | 131.8 | 126.4 | 172 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 339 | A | 29.1 | Very low | 30.4 | Very low | 92 Ų | 92 | 129.1 Ų | 129.1 | 76% | 0.76 | 71% | 0.705 | S | S | * | * | trans | 69.1 | 156.3 | 156.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 340 | L | 29.5 | Very low | 30.9 | Very low | 147 Ų | 147 | 128.2 Ų | 128.2 | 77% | 0.77 | 70% | 0.699 | S | S | * | * | cis | -169.2 | 153.8 | -30 | -170.2 | 70.1 | 0 | 0 | 0 | 108.6 | ||||
| 341 | D | 31 | Very low | 31 | Very low | 148 Ų | 148 | 126.7 Ų | 126.7 | 79% | 0.791 | 70% | 0.699 | S | S | * | * | trans | 57.6 | 145.7 | 158.9 | -71.5 | -21.2 | 0 | 0 | 0 | 124.6 | ||||
| 342 | G | 30.2 | Very low | 31.1 | Very low | 68 Ų | 68 | 126.1 Ų | 126.1 | 70% | 0.701 | 70% | 0.695 | S | S | * | * | trans | 112 | 100.5 | 142.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 343 | L | 32.1 | Very low | 30.9 | Very low | 153 Ų | 153 | 128.8 Ų | 128.8 | 80% | 0.801 | 70% | 0.702 | S | S | * | * | 61.8 | 140.4 | 69.3 | -100.4 | 68.3 | 0 | 0 | 0 | 115.1 | |||||
| 344 | H | 33.7 | Very low | 31.2 | Very low | 99 Ų | 99 | 127.2 Ų | 127.2 | 46% | 0.458 | 70% | 0.701 | S | S | . | * | cis | -167.5 | 149.6 | 5 | -143.7 | -2.5 | 0 | 0 | 0 | 113.2 | T680 | H344-T680 WeakPolarHBondContact NE2-CG2 3.28Š| ||
| 345 | I | 33.2 | Very low | 31.4 | Very low | 99 Ų | 99 | 127.8 Ų | 127.8 | 51% | 0.508 | 71% | 0.706 | S | S | . | * | trans | 64.8 | 155.2 | 136.1 | -101.3 | 177.5 | 0 | 0 | 0 | 119.3 | ||||
| 346 | K | 33.1 | Very low | 31.6 | Very low | 160 Ų | 160 | 125.4 Ų | 125.4 | 70% | 0.696 | 70% | 0.702 | S | S | * | * | cis | -151.2 | 170.9 | 12.1 | -142.9 | 170.3 | 165.1 | 169.5 | 0 | 115.7 | ||||
| 347 | E | 31 | Very low | 32 | Very low | 86 Ų | 86 | 125.9 Ų | 125.9 | 40% | 0.402 | 70% | 0.704 | S | S | . | * | trans | -43 | 155.3 | 176.1 | -69.3 | 131.2 | -134 | 0 | 0 | 124.4 | V677 | E347-V677 HydrophobicContact CG-CG1 3.79Š| ||
| 348 | D | 31.9 | Very low | 32.2 | Very low | 107 Ų | 107 | 123.7 Ų | 123.7 | 57% | 0.572 | 70% | 0.701 | S | S | * | * | 86.7 | 125.5 | 127.2 | -72.7 | 9 | 0 | 0 | 0 | 129 | |||||
| 349 | H | 33.6 | Very low | 32.7 | Very low | 169 Ų | 169 | 122.9 Ų | 122.9 | 78% | 0.782 | 70% | 0.696 | S | S | * | * | trans | 76.7 | 157.4 | 137.7 | -78.4 | -46.7 | 0 | 0 | 0 | 123 | ||||
| 350 | P | 44.6 | Very low | 33 | Very low | 105 Ų | 105 | 124.9 Ų | 124.9 | 68% | 0.682 | 69% | 0.694 | S | S | * | * | trans | -120.9 | 172.9 | -150.7 | 43.8 | -33.5 | 0 | 0 | 0 | 115.9 | ||||
| 351 | L | 28.2 | Very low | 33.2 | Very low | 161 Ų | 161 | 123.3 Ų | 123.3 | 84% | 0.843 | 69% | 0.691 | S | S | * | * | trans | -176.3 | 126.2 | 143.6 | -101.2 | 168.7 | 0 | 0 | 0 | 114.1 | ||||
| 352 | V | 32.5 | Very low | 33.5 | Very low | 111 Ų | 111 | 121 Ų | 121 | 67% | 0.673 | 69% | 0.687 | S | S | * | * | trans | 46.7 | 140.1 | 133.3 | 171.2 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 353 | M | 28.2 | Very low | 33.8 | Very low | 187 Ų | 187 | 122.8 Ų | 122.8 | 92% | 0.921 | 69% | 0.688 | S | S | * | * | trans | 71.4 | 144.8 | 164.4 | -79.5 | 161.9 | -179.2 | 0 | 0 | 118.5 | ||||
| 354 | G | 31.7 | Very low | 34 | Very low | 66 Ų | 66 | 121.9 Ų | 121.9 | 68% | 0.68 | 69% | 0.689 | S | S | * | * | cis | 167.2 | 176.3 | -7.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 355 | S | 33 | Very low | 34.1 | Very low | 122 Ų | 122 | 122 Ų | 122 | 85% | 0.853 | 70% | 0.698 | S | S | * | * | trans | 71.5 | 150.4 | 166.4 | -86 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 356 | V | 34.3 | Very low | 33.9 | Very low | 107 Ų | 107 | 126.7 Ų | 126.7 | 65% | 0.648 | 72% | 0.715 | S | S | * | * | cis | -168.4 | 148.5 | -19 | 92.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 357 | Q | 36.7 | Very low | 33.8 | Very low | 155 Ų | 155 | 124.8 Ų | 124.8 | 72% | 0.724 | 72% | 0.717 | S | S | * | * | trans | 64.4 | 156.9 | 153.9 | -68.1 | 176.8 | 14 | 0 | 0 | 120.5 | ||||
| 358 | N | 32.6 | Very low | 33.8 | Very low | 128 Ų | 128 | 129.2 Ų | 129.2 | 68% | 0.684 | 74% | 0.743 | S | S | * | * | cis | -165.5 | 161 | -13.9 | -114 | -4.1 | 0 | 0 | 0 | 114.5 | ||||
| 359 | V | 36.5 | Very low | 33.7 | Very low | 110 Ų | 110 | 128.3 Ų | 128.3 | 67% | 0.667 | 75% | 0.75 | S | S | * | * | trans | 78.3 | 118.5 | 136.9 | 162.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 360 | D | 35.2 | Very low | 33.4 | Very low | 134 Ų | 134 | 126.3 Ų | 126.3 | 72% | 0.717 | 75% | 0.75 | S | S | * | * | trans | 65.1 | 152.1 | 138.5 | -65.4 | 11.5 | 0 | 0 | 0 | 124.5 | ||||
| 361 | T | 33.8 | Very low | 32.9 | Very low | 114 Ų | 114 | 127.7 Ų | 127.7 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | cis | -159.7 | 159.1 | -18.1 | 25 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 362 | S | 36.6 | Very low | 33 | Very low | 101 Ų | 101 | 124 Ų | 124 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | trans | 81.7 | 133.4 | 144.8 | 76.9 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 363 | S | 36.5 | Very low | 32.8 | Very low | 105 Ų | 105 | 126.9 Ų | 126.9 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | 63.5 | 144 | 153.6 | 70.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 364 | T | 37.1 | Very low | 32.8 | Very low | 134 Ų | 134 | 127.3 Ų | 127.3 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | cis | -151.5 | 166 | -10.4 | 8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 365 | P | 35.9 | Very low | 32.7 | Very low | 100 Ų | 100 | 131.5 Ų | 131.5 | 65% | 0.649 | 76% | 0.757 | S | S | * | * | trans | -110.1 | 155 | -150.8 | 40 | -37.1 | 0 | 0 | 0 | 119 | ||||
| 366 | K | 29.7 | Very low | 32.4 | Very low | 198 Ų | 198 | 135.1 Ų | 135.1 | 86% | 0.861 | 75% | 0.752 | S | S | * | * | trans | 62.6 | 146.8 | 150.4 | -62.5 | 165.9 | -177.3 | 178.7 | 0 | 116.6 | ||||
| 367 | T | 30.3 | Very low | 32.4 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | -165.7 | 141.8 | 50.9 | -55.9 | 0 | 0 | 0 | 0 | 111 | A369 | T367-A369 HydrophobicContact CG2-CB 4.45Š| |||
| 368 | L | 30.7 | Very low | 32.3 | Very low | 180 Ų | 180 | 135.8 Ų | 135.8 | 94% | 0.942 | 76% | 0.761 | S | S | * | * | trans | -91 | 132.4 | 159 | -92.8 | 68.4 | 0 | 0 | 0 | 108.7 | ||||
| 369 | A | 29.9 | Very low | 32.4 | Very low | 87 Ų | 87 | 135.3 Ų | 135.3 | 72% | 0.719 | 77% | 0.765 | S | S | * | * | trans | -139.2 | 140.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | T367 | T367-A369 HydrophobicContact CG2-CB 4.45Š| ||
| 370 | T | 28.3 | Very low | 32.1 | Very low | 128 Ų | 128 | 135 Ų | 135 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -58.8 | 135.2 | 174.5 | 48.3 | 0 | 0 | 0 | 0 | 113.9 | S372 | T370-S372 VanDerWaalsContact C-N 3.35Å; T370-S372 PolarHBondContact O-N 2.95Å | ||
| 371 | S | 33.6 | Very low | 32 | Very low | 133 Ų | 133 | 139.5 Ų | 139.5 | 93% | 0.93 | 78% | 0.775 | S | S | * | * | trans | -78.6 | 69.7 | 176.5 | -53 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 372 | S | 29.3 | Very low | 31.7 | Very low | 84 Ų | 84 | 144.1 Ų | 144.1 | 59% | 0.587 | 78% | 0.779 | S | S | * | * | trans | -86.8 | 114.1 | 170.4 | 67.6 | 0 | 0 | 0 | 0 | 111.3 | T370 R374 | T370-S372 VanDerWaalsContact C-N 3.35Å; T370-S372 PolarHBondContact O-N 2.95Å; S372-R374 VanDerWaalsContact C-N 3.31Å; S372-R374 PolarHBondContact O-N 3.36Å | ||
| 373 | L | 28.5 | Very low | 31.7 | Very low | 171 Ų | 171 | 148.8 Ų | 148.8 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | trans | -78.6 | 75.4 | 175.9 | -107.9 | 168.5 | 0 | 0 | 0 | 111.9 | ||||
| 374 | R | 27.8 | Very low | 31.4 | Very low | 196 Ų | 196 | 150 Ų | 150 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | trans | -95.1 | 104.5 | 167 | -89.4 | -178 | 167.2 | 149.8 | -1.8 | 110.1 | S372 | S372-R374 VanDerWaalsContact C-N 3.31Å; S372-R374 PolarHBondContact O-N 3.36Å | ||
| 375 | L | 29.9 | Very low | 31.2 | Very low | 154 Ų | 154 | 148.5 Ų | 148.5 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | trans | -88.9 | 118.1 | 164.8 | -87.3 | 163 | 0 | 0 | 0 | 110.1 | ||||
| 376 | R | 28.1 | Very low | 31.1 | Very low | 198 Ų | 198 | 150.8 Ų | 150.8 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | trans | -145.3 | 76.3 | 176.9 | -99.5 | -169.4 | 173 | 172.2 | -1.9 | 111.6 | ||||
| 377 | T | 33.7 | Very low | 31.1 | Very low | 118 Ų | 118 | 149.6 Ų | 149.6 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | trans | -161.1 | 145.6 | 166.5 | 40 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 378 | L | 34 | Very low | 31.4 | Very low | 158 Ų | 158 | 151.6 Ų | 151.6 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | cis | -147.5 | 158.6 | -17 | -97.1 | 164.4 | 0 | 0 | 0 | 106.4 | ||||
| 379 | P | 35.1 | Very low | 31.9 | Very low | 118 Ų | 118 | 149.6 Ų | 149.6 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | trans | -82 | 144.2 | 178.8 | 33.3 | -33.5 | 0 | 0 | 0 | 112.3 | ||||
| 380 | S | 30 | Very low | 31.9 | Very low | 103 Ų | 103 | 151.9 Ų | 151.9 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | trans | 159 | 154.8 | 138.6 | -169.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 381 | R | 32.5 | Very low | 32.2 | Very low | 230 Ų | 230 | 155.5 Ų | 155.5 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | trans | 57.9 | 99.3 | 161.8 | -77.3 | 167.4 | -177.7 | -176.4 | -0.6 | 119.7 | ||||
| 382 | R | 28.8 | Very low | 32 | Very low | 211 Ų | 211 | 153.9 Ų | 153.9 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | 7.5 | 132.2 | 128.9 | -57.8 | 176.9 | 179.5 | -175.8 | -2.3 | 116.6 | |||||
| 383 | H | 35.5 | Very low | 32.2 | Very low | 199 Ų | 199 | 156.3 Ų | 156.3 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | -142.7 | 155 | 125.7 | -96.6 | 92.7 | 0 | 0 | 0 | 109.5 | |||||
| 384 | V | 29.9 | Very low | 32.6 | Very low | 131 Ų | 131 | 156 Ų | 156 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -115.3 | 129.9 | -172.7 | 175.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 385 | A | 34.5 | Very low | 32.9 | Very low | 101 Ų | 101 | 151.3 Ų | 151.3 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -149 | 76.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 386 | K | 32.3 | Very low | 33 | Very low | 149 Ų | 149 | 150.8 Ų | 150.8 | 65% | 0.648 | 79% | 0.791 | S | S | * | * | 75.8 | 102.1 | 82.9 | -174 | 177.1 | 179.8 | 178.6 | 0 | 111.1 | F388 | K386-F388 HydrophobicContact CD-CE2 4.26Š| |||
| 387 | E | 30.8 | Very low | 33.2 | Very low | 172 Ų | 172 | 149.1 Ų | 149.1 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -67.7 | 162.9 | 173 | -55.9 | 101.5 | 147.2 | 0 | 0 | 113 | ||||
| 388 | F | 36 | Very low | 33.1 | Very low | 163 Ų | 163 | 149.1 Ų | 149.1 | 72% | 0.715 | 80% | 0.798 | S | S | * | * | trans | -142 | 106.8 | 156.3 | -92.6 | -79 | 0 | 0 | 0 | 110.4 | K386 | K386-F388 HydrophobicContact CD-CE2 4.26Š| ||
| 389 | L | 40.5 | Very low | 33 | Very low | 138 Ų | 138 | 152 Ų | 152 | 72% | 0.723 | 80% | 0.799 | S | S | * | * | trans | 61.7 | 109.8 | 147.8 | -55.6 | 171.4 | 0 | 0 | 0 | 120 | ||||
| 390 | D | 30.4 | Very low | 32.8 | Very low | 134 Ų | 134 | 151.5 Ų | 151.5 | 72% | 0.717 | 80% | 0.797 | S | S | * | * | 30.8 | 124.3 | 115.2 | -53.6 | -48 | 0 | 0 | 0 | 120.3 | |||||
| 391 | E | 35.1 | Very low | 33 | Very low | 205 Ų | 205 | 157.7 Ų | 157.7 | 96% | 0.958 | 81% | 0.805 | S | S | * | * | -133.1 | 106 | 123.3 | -88.4 | -155.4 | 153.4 | 0 | 0 | 110.3 | |||||
| 392 | S | 29.9 | Very low | 33.1 | Very low | 98 Ų | 98 | 152.6 Ų | 152.6 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | trans | -153.9 | 155.6 | 155.5 | 72.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 393 | V | 33 | Very low | 33.5 | Very low | 136 Ų | 136 | 147.8 Ų | 147.8 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | 80.5 | 141.6 | -179.7 | -167.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 394 | L | 36.6 | Very low | 33.4 | Very low | 164 Ų | 164 | 145.6 Ų | 145.6 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | trans | 85.6 | 95.1 | 161.5 | -136.9 | 75 | 0 | 0 | 0 | 120.2 | ||||
| 395 | A | 34.9 | Very low | 33.6 | Very low | 97 Ų | 97 | 145.3 Ų | 145.3 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | trans | -174.8 | 51.3 | 130.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | M397 | A395-M397 PolarHBondContact O-N 2.86Š| ||
| 396 | T | 31 | Very low | 33.6 | Very low | 144 Ų | 144 | 147.5 Ų | 147.5 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | -88.8 | 87.7 | 170.4 | 47.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 397 | M | 32.5 | Very low | 33.6 | Very low | 163 Ų | 163 | 148.8 Ų | 148.8 | 80% | 0.803 | 79% | 0.787 | S | S | * | * | trans | -156.7 | 124 | 157.6 | -130 | -179.2 | -179 | 0 | 0 | 112.4 | A395 | A395-M397 PolarHBondContact O-N 2.86Š| ||
| 398 | S | 30.9 | Very low | 33.8 | Very low | 117 Ų | 117 | 148.8 Ų | 148.8 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -148.4 | 95.6 | 167.5 | 54 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 399 | R | 33.4 | Very low | 33.7 | Very low | 220 Ų | 220 | 144.1 Ų | 144.1 | 83% | 0.83 | 79% | 0.789 | S | S | * | * | trans | -159.5 | 116.1 | 164.7 | -118.9 | 166.3 | -174.1 | -164.6 | -0.7 | 116.4 | ||||
| 400 | S | 30.7 | Very low | 33.4 | Very low | 106 Ų | 106 | 143.8 Ų | 143.8 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | trans | 85.4 | 156.7 | 141.6 | 85.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 401 | R | 34 | Very low | 33.5 | Very low | 234 Ų | 234 | 143.5 Ų | 143.5 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | 139.4 | 103.9 | 160.8 | -90.1 | 178 | 176.2 | -178.2 | -2.2 | 115.6 | ||||
| 402 | T | 34.2 | Very low | 33.3 | Very low | 122.5 Ų | 122.5 | 141.9 Ų | 141.9 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | trans | -78.3 | 154.8 | 143.2 | 51.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 403 | P | 36.5 | Very low | 33.4 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | -140.5 | 165.8 | 73.1 | 31.6 | -10.1 | 0 | 0 | 0 | 114.9 | |||||
| 404 | L | 34.4 | Very low | 33.2 | Very low | 153 Ų | 153 | 142.1 Ų | 142.1 | 80% | 0.801 | 78% | 0.775 | S | S | * | * | trans | 79.4 | 137.1 | 143.6 | -93.8 | 81.8 | 0 | 0 | 0 | 121.5 | ||||
| 405 | N | 33.1 | Very low | 32.8 | Very low | 124 Ų | 124 | 142.6 Ų | 142.6 | 66% | 0.663 | 77% | 0.773 | S | S | * | * | cis | 128.8 | 138.6 | 43.7 | -124.1 | 2.8 | 0 | 0 | 0 | 116.3 | ||||
| 406 | N | 35.2 | Very low | 32.5 | Very low | 147.5 Ų | 147.5 | 143.6 Ų | 143.6 | 79% | 0.789 | 77% | 0.769 | S | S | * | * | trans | 131.6 | 146.8 | 151.9 | -88.5 | -27.4 | 0 | 0 | 0 | 115.4 | ||||
| 407 | K | 32.9 | Very low | 32.4 | Very low | 176 Ų | 176 | 144.4 Ų | 144.4 | 77% | 0.765 | 76% | 0.762 | S | S | * | * | -146.2 | 163.5 | -89.4 | -105.3 | 179 | 178.4 | -178.9 | 0 | 111.6 | |||||
| 408 | I | 34 | Very low | 32.3 | Very low | 172 Ų | 172 | 141.7 Ų | 141.7 | 88% | 0.882 | 75% | 0.751 | S | S | * | * | trans | 100 | 126.7 | 151.9 | -60.4 | 155.4 | 0 | 0 | 0 | 113.9 | ||||
| 409 | G | 34.6 | Very low | 32.2 | Very low | 64.5 Ų | 64.5 | 144.2 Ų | 144.2 | 67% | 0.665 | 75% | 0.749 | S | S | * | * | 159.7 | 153.5 | 81.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 410 | V | 34.9 | Very low | 31.9 | Very low | 130.5 Ų | 130.5 | 137.4 Ų | 137.4 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | trans | 136.5 | 107.8 | -170.8 | 177.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 411 | N | 32.4 | Very low | 31.9 | Very low | 129.5 Ų | 129.5 | 138.5 Ų | 138.5 | 69% | 0.693 | 74% | 0.742 | S | S | * | * | 75.5 | 121.8 | 122.6 | -69.6 | 3.7 | 0 | 0 | 0 | 119.5 | |||||
| 412 | Q | 30.6 | Very low | 31.5 | Very low | 169.5 Ų | 169.5 | 135.2 Ų | 135.2 | 79% | 0.792 | 74% | 0.739 | S | S | * | * | 89.3 | 150.5 | 82 | -122.8 | -178 | 2.1 | 0 | 0 | 119.8 | |||||
| 413 | I | 31.2 | Very low | 31.2 | Very low | 130.5 Ų | 130.5 | 134.7 Ų | 134.7 | 67% | 0.669 | 74% | 0.736 | S | S | * | * | trans | 93.7 | 89.4 | 153.5 | -65.6 | 169.2 | 0 | 0 | 0 | 118 | ||||
| 414 | T | 29.3 | Very low | 30.9 | Very low | 109.5 Ų | 109.5 | 135.4 Ų | 135.4 | 67% | 0.672 | 74% | 0.738 | S | S | * | * | 67.8 | 138.8 | 105.9 | 68 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 415 | Q | 28.4 | Very low | 30.6 | Very low | 174 Ų | 174 | 131.5 Ų | 131.5 | 81% | 0.813 | 73% | 0.728 | S | S | * | * | 82.9 | 156.5 | 123.8 | -121.6 | -170.4 | -11.2 | 0 | 0 | 116.4 | |||||
| 416 | V | 27.8 | Very low | 30.5 | Very low | 118 Ų | 118 | 132.7 Ų | 132.7 | 72% | 0.715 | 73% | 0.73 | S | S | * | * | 134.8 | 142.7 | -101.7 | 147.4 | 0 | 0 | 0 | 0 | 112 | |||||
| 417 | H | 29.6 | Very low | 30.3 | Very low | 160.5 Ų | 160.5 | 131.3 Ų | 131.3 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | 90.5 | 123.7 | 101.8 | -138.3 | 58.9 | 0 | 0 | 0 | 117.5 | |||||
| 418 | N | 29.2 | Very low | 30.3 | Very low | 107 Ų | 107 | 130.5 Ų | 130.5 | 57% | 0.572 | 73% | 0.729 | S | S | * | * | trans | 56.3 | 145.9 | 138.5 | -69.3 | 29.9 | 0 | 0 | 0 | 121.2 | ||||
| 419 | E | 29.6 | Very low | 30.4 | Very low | 168 Ų | 168 | 127 Ų | 127 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | 118.1 | 158.4 | 66.1 | -86.1 | 174.5 | -147.6 | 0 | 0 | 114.4 | |||||
| 420 | A | 28.1 | Very low | 30.3 | Very low | 78 Ų | 78 | 128.3 Ų | 128.3 | 65% | 0.645 | 72% | 0.717 | S | S | * | * | cis | -166.2 | -152.5 | -9.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 421 | V | 29.2 | Very low | 30.1 | Very low | 128 Ų | 128 | 125.7 Ų | 125.7 | 78% | 0.776 | 72% | 0.717 | S | S | * | * | trans | 69.8 | 96.3 | 163.6 | -168.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 422 | M | 26.7 | Very low | 30 | Very low | 165 Ų | 165 | 123.2 Ų | 123.2 | 81% | 0.813 | 71% | 0.714 | S | S | * | * | 65.2 | 136.1 | 85.1 | -71.7 | -140.6 | -121.1 | 0 | 0 | 116.3 | |||||
| 423 | T | 28.3 | Very low | 29.9 | Very low | 112.5 Ų | 112.5 | 121.9 Ų | 121.9 | 69% | 0.69 | 71% | 0.712 | S | S | * | * | 137 | 141.6 | 67.3 | 35.3 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 424 | T | 29.9 | Very low | 29.8 | Very low | 125 Ų | 125 | 121.8 Ų | 121.8 | 77% | 0.767 | 72% | 0.717 | S | S | * | * | 140.4 | 142.3 | 67.2 | 18.5 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 425 | A | 28.4 | Very low | 29.8 | Very low | 71.5 Ų | 71.5 | 120.5 Ų | 120.5 | 59% | 0.591 | 71% | 0.713 | S | S | * | * | trans | 148.3 | 150.2 | 140 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 426 | H | 30.7 | Very low | 30 | Very low | 150.5 Ų | 150.5 | 119.1 Ų | 119.1 | 70% | 0.697 | 71% | 0.71 | S | S | * | * | trans | 145.4 | 124.6 | 162 | -68.6 | -62.1 | 0 | 0 | 0 | 111.7 | A221 H222 | A221-H426 PolarHBondContact O-CE1 3.31Å; H222-H426 AromaticContact CD2-NE2 3.63Å; H222-H426 AromaticContact CE1-CE1 3.99Å; H222-H426 AromaticContact CE1-NE2 3.19Å; H222-H426 PolarHBondContact CE1-NE2 3.17Å; H222-H426 AromaticContact ND1-NE2 3.87Å; H222-H426 AromaticContact NE2-CD2 3.87Å; H222-H426 AromaticContact NE2-CE1 3.95Å; H222-H426 AromaticContact NE2-NE2 2.98Å; H222-H426 PolarHBondContact NE2-NE2 3.18Å | ||
| 427 | T | 31.3 | Very low | 30.1 | Very low | 117.5 Ų | 117.5 | 120.5 Ų | 120.5 | 72% | 0.721 | 71% | 0.714 | S | S | * | * | cis | 144.6 | 138.5 | 34.2 | 57.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 428 | L | 33 | Very low | 30.4 | Very low | 158 Ų | 158 | 118.5 Ų | 118.5 | 83% | 0.827 | 71% | 0.714 | S | S | * | * | -97.7 | -170.7 | 78.1 | -121 | 72.5 | 0 | 0 | 0 | 114.1 | |||||
| 429 | P | 35.4 | Very low | 30.3 | Very low | 99 Ų | 99 | 119.2 Ų | 119.2 | 64% | 0.643 | 73% | 0.728 | S | S | * | * | -140 | -174 | -65.5 | 42.5 | -23.2 | 0 | 0 | 0 | 117.8 | |||||
| 430 | S | 32 | Very low | 30.3 | Very low | 92.5 Ų | 92.5 | 117.4 Ų | 117.4 | 65% | 0.647 | 73% | 0.728 | S | S | * | * | trans | 62.8 | 131 | 147.4 | -57 | 0 | 0 | 0 | 0 | 120.6 | I236 | I236-S430 WeakPolarHBondContact CD1-OG 3.04Š| ||
| 431 | G | 30.7 | Very low | 30.2 | Very low | 76.5 Ų | 76.5 | 120.6 Ų | 120.6 | 79% | 0.789 | 73% | 0.734 | S | S | * | * | -174.2 | 145.4 | 75.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 432 | A | 30.6 | Very low | 30.2 | Very low | 76 Ų | 76 | 121.5 Ų | 121.5 | 63% | 0.628 | 73% | 0.733 | S | S | * | * | -149.8 | 173.5 | 113.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S235 | S235-A432 WeakPolarHBondContact OG-CB 3.27Š| |||
| 433 | L | 27.7 | Very low | 30.2 | Very low | 142 Ų | 142 | 120 Ų | 120 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | trans | 151.8 | 130.6 | 165.7 | -73.1 | 168.4 | 0 | 0 | 0 | 114.2 | T233 | T233-L433 CarbonylContact C-O 3.59Å; T233-L433 VanDerWaalsContact CB-CB 3.46Å; T233-L433 WeakPolarHBondContact CB-O 3.01Å; T233-L433 HydrophobicContact CG2-CB 3.77Å; T233-L433 HydrophobicContact CG2-CD1 4.3Å; T233-L433 VanDerWaalsContact O-O 3.1Å; T233-L433 PolarHBondContact OG1-O 2.86Å | ||
| 434 | V | 29.5 | Very low | 30.1 | Very low | 129 Ų | 129 | 125.8 Ų | 125.8 | 78% | 0.782 | 74% | 0.736 | S | S | * | * | trans | -43 | 126.2 | 150.5 | -178.2 | 0 | 0 | 0 | 0 | 116.1 | T233 | T233-V434 VanDerWaalsContact OG1-CA 3.29Å; T233-V434 WeakPolarHBondContact OG1-CA 3.46Å; T233-V434 PolarHBondContact OG1-N 3.39Å | ||
| 435 | S | 29.2 | Very low | 30.2 | Very low | 83 Ų | 83 | 126 Ų | 126 | 58% | 0.58 | 74% | 0.738 | S | S | * | * | B | Isolated β-bridge | trans | -151.3 | 141.8 | 164.7 | 175.4 | 0 | 0 | 0 | 0 | 110.1 | Y231 T233 | Y231-S435 PolarHBondContact O-OG 3Å; T233-S435 PolarHBondContact OG1-N 3.48Å |
| 436 | L | 32.2 | Very low | 30.3 | Very low | 144 Ų | 144 | 128.4 Ų | 128.4 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | trans | -145.9 | 113.2 | -178.3 | -90.2 | 171.1 | 0 | 0 | 0 | 112 | ||||
| 437 | N | 31.4 | Very low | 30.3 | Very low | 148 Ų | 148 | 129 Ų | 129 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | trans | 134.8 | 167.6 | 155.4 | -95.4 | -12 | 0 | 0 | 0 | 113.2 | ||||
| 438 | P | 34.7 | Very low | 30.4 | Very low | 117.5 Ų | 117.5 | 129.7 Ų | 129.7 | 76% | 0.763 | 76% | 0.759 | S | S | * | * | -95.5 | 170.6 | -61.4 | 37.7 | -37.5 | 0 | 0 | 0 | 116.1 | |||||
| 439 | S | 27.8 | Very low | 30.1 | Very low | 121 Ų | 121 | 126.5 Ų | 126.5 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | trans | -83 | 126.7 | -177.1 | -52.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 440 | V | 29.5 | Very low | 29.9 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | trans | -115.2 | 131.8 | 158.9 | -179.9 | 0 | 0 | 0 | 0 | 108.7 | L442 | V440-L442 HydrophobicContact CB-CD1 4.11Å; V440-L442 HydrophobicContact CG1-CD1 3.68Å; V440-L442 PolarHBondContact O-N 2.93Å; V440-L442 VanDerWaalsContact O-N 3.1Å | ||
| 441 | L | 26.9 | Very low | 29.8 | Very low | 146 Ų | 146 | 129.2 Ų | 129.2 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | trans | -84.2 | 107.8 | -174.8 | -175.2 | 73.9 | 0 | 0 | 0 | 112 | I443 | L441-I443 HydrophobicContact CD1-CD1 4.25Å; L441-I443 HydrophobicContact CD1-CG1 4.04Å; L441-I443 HydrophobicContact CD2-CD1 4.18Å; L441-I443 HydrophobicContact CG-CD1 4.42Å; L441-I443 HydrophobicContact CG-CG1 4.27Å; L441-I443 PolarHBondContact O-N 2.98Å | ||
| 442 | L | 27.5 | Very low | 29.9 | Very low | 147 Ų | 147 | 132.1 Ų | 132.1 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | trans | -113.9 | 125.4 | 158.8 | -97.5 | 127 | 0 | 0 | 0 | 111.4 | V440 | V440-L442 HydrophobicContact CB-CD1 4.11Å; V440-L442 HydrophobicContact CG1-CD1 3.68Å; V440-L442 PolarHBondContact O-N 2.93Å; V440-L442 VanDerWaalsContact O-N 3.1Å | ||
| 443 | I | 27.7 | Very low | 29.9 | Very low | 132.5 Ų | 132.5 | 134.1 Ų | 134.1 | 68% | 0.679 | 74% | 0.738 | S | S | * | * | trans | -101.2 | 127.7 | 177.4 | -59 | 171.2 | 0 | 0 | 0 | 108.4 | L441 | L441-I443 HydrophobicContact CD1-CD1 4.25Å; L441-I443 HydrophobicContact CD1-CG1 4.04Å; L441-I443 HydrophobicContact CD2-CD1 4.18Å; L441-I443 HydrophobicContact CG-CD1 4.42Å; L441-I443 HydrophobicContact CG-CG1 4.27Å; L441-I443 PolarHBondContact O-N 2.98Å | ||
| 444 | R | 27 | Very low | 30.2 | Very low | 233.5 Ų | 233.5 | 135.5 Ų | 135.5 | 88% | 0.881 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -121.7 | 140.4 | 160 | -100.8 | 178.6 | -179.2 | 157.8 | 1 | 111.5 | ||
| 445 | T | 30.5 | Very low | 30.3 | Very low | 130.5 Ų | 130.5 | 137.8 Ų | 137.8 | 80% | 0.801 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 148.4 | -177.7 | 49.7 | 0 | 0 | 0 | 0 | 111 | ||
| 446 | S | 32 | Very low | 30.3 | Very low | 120.5 Ų | 120.5 | 138.9 Ų | 138.9 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -115.2 | 153.3 | 174 | 54.7 | 0 | 0 | 0 | 0 | 113 | ||
| 447 | Q | 30.7 | Very low | 30.2 | Very low | 164.5 Ų | 164.5 | 141.2 Ų | 141.2 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | trans | -98.3 | 163.9 | 174.4 | -69.1 | 167.6 | -55.3 | 0 | 0 | 110.2 | ||||
| 448 | P | 32.5 | Very low | 30.1 | Very low | 131 Ų | 131 | 138.1 Ų | 138.1 | 85% | 0.851 | 76% | 0.758 | S | S | * | * | trans | -103.7 | 157.2 | 132.4 | 36 | -33.4 | 0 | 0 | 0 | 113 | ||||
| 449 | V | 27.3 | Very low | 29.8 | Very low | 92.5 Ų | 92.5 | 135.9 Ų | 135.9 | 56% | 0.561 | 76% | 0.758 | S | S | * | * | trans | -101 | 148.3 | 178.4 | -176.2 | 0 | 0 | 0 | 0 | 109.8 | P209 | P209-V449 WeakPolarHBondContact CB-O 3.24Å; P209-V449 HydrophobicContact CG-CB 4.08Å; P209-V449 HydrophobicContact CG-CG1 3.68Å | ||
| 450 | K | 30.4 | Very low | 29.9 | Very low | 189 Ų | 189 | 138.5 Ų | 138.5 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | trans | -128 | 135.7 | 167.2 | -116.3 | -174.5 | 170.9 | -147.4 | 0 | 110.9 | P209 H210 | P209-K450 WeakPolarHBondContact CG-O 3.35Å; H210-K450 WeakPolarHBondContact NE2-CD 3.29Å; H210-K450 VanDerWaalsContact NE2-CE 3.3Å; H210-K450 WeakPolarHBondContact NE2-CE 3.45Å; H210-K450 WeakPolarHBondContact NE2-CG 3.28Å; H210-K450 PolarHBondContact NE2-NZ 3.07Å | ||
| 451 | T | 29.4 | Very low | 30 | Very low | 59 Ų | 59 | 138.4 Ų | 138.4 | 36% | 0.362 | 75% | 0.754 | S | S | . | * | trans | -111.7 | 174.5 | -158 | 58.9 | 0 | 0 | 0 | 0 | 109.7 | P209 H210 | P209-T451 WeakPolarHBondContact CA-OG1 3.45Å; P209-T451 HydrophobicContact CB-CG2 2.3Å; P209-T451 WeakPolarHBondContact CB-OG1 3.32Å; P209-T451 HydrophobicContact CG-CG2 2.27Å; P209-T451 WeakPolarHBondContact O-CB 3.38Å; P209-T451 PolarHBondContact O-OG1 3.23Å; H210-T451 WeakPolarHBondContact CB-OG1 3.43Å; H210-T451 PolarHBondContact N-OG1 3.15Å; H210-T451 VanDerWaalsContact N-OG1 3.17Å; H210-T451 PolarHBondContact ND1-N 3Å; H210-T451 PolarHBondContact ND1-O 3.13Å; H210-T451 PolarHBondContact ND1-OG1 2.9Å | ||
| 452 | I | 32.8 | Very low | 30.3 | Very low | 136.5 Ų | 136.5 | 139 Ų | 139 | 70% | 0.7 | 75% | 0.752 | S | S | * | * | trans | 141.1 | 127 | 147.2 | -73.6 | 161.2 | 0 | 0 | 0 | 113.5 | H210 | H210-I452 HydrophobicContact CB-CD1 4.07Å; H210-I452 HydrophobicContact CB-CG1 4.33Å | ||
| 453 | N | 31.6 | Very low | 30.5 | Very low | 118.5 Ų | 118.5 | 137.2 Ų | 137.2 | 63% | 0.634 | 75% | 0.747 | S | S | * | * | trans | -11.9 | 158.8 | 155.1 | -36.7 | -6.4 | 0 | 0 | 0 | 117.6 | ||||
| 454 | E | 34.5 | Very low | 30.7 | Very low | 172 Ų | 172 | 137.5 Ų | 137.5 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | -163.1 | 156.9 | 59.1 | -112.1 | 157.3 | -174.6 | 0 | 0 | 110.6 | |||||
| 455 | E | 30.2 | Very low | 30.9 | Very low | 176 Ų | 176 | 133.5 Ų | 133.5 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | trans | -35.1 | 153.6 | 160.4 | -79.2 | -175.9 | 138.1 | 0 | 0 | 115.8 | ||||
| 456 | C | 29.5 | Very low | 30.9 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 72% | 0.716 | 74% | 0.74 | S | S | * | * | -65.9 | 150.4 | 78.5 | -93.7 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 457 | E | 29.6 | Very low | 30.9 | Very low | 193.5 Ų | 193.5 | 135.8 Ų | 135.8 | 90% | 0.904 | 73% | 0.732 | S | S | * | * | -96.1 | 160.6 | 116.1 | -65.3 | -176.3 | 136.4 | 0 | 0 | 114.6 | |||||
| 458 | G | 29.3 | Very low | 30.9 | Very low | 81.5 Ų | 81.5 | 133.5 Ų | 133.5 | 84% | 0.84 | 73% | 0.729 | S | S | * | * | 116.1 | 133.9 | 78.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 459 | G | 28.9 | Very low | 30.8 | Very low | 72.5 Ų | 72.5 | 133.9 Ų | 133.9 | 75% | 0.747 | 72% | 0.722 | S | S | * | * | 137 | 151.4 | 59.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 460 | M | 30.7 | Very low | 31 | Very low | 175 Ų | 175 | 134.7 Ų | 134.7 | 86% | 0.862 | 73% | 0.728 | S | S | * | * | trans | 64.3 | 117.3 | 151.4 | -67.5 | -174.4 | 174.2 | 0 | 0 | 122.4 | ||||
| 461 | N | 30.7 | Very low | 31.1 | Very low | 129.5 Ų | 129.5 | 132 Ų | 132 | 69% | 0.693 | 73% | 0.727 | S | S | * | * | 74.3 | 145.9 | 128.2 | -66.8 | 28.4 | 0 | 0 | 0 | 121.9 | |||||
| 462 | E | 33.3 | Very low | 31.2 | Very low | 157.5 Ų | 157.5 | 135.4 Ų | 135.4 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | 150.5 | 138.6 | 70.2 | -111.9 | 157.8 | -127.1 | 0 | 0 | 119.2 | |||||
| 463 | T | 31.9 | Very low | 31.5 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 67% | 0.669 | 75% | 0.748 | S | S | * | * | trans | -7.4 | 159.9 | 157 | 57.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 464 | N | 32.9 | Very low | 31.5 | Very low | 139 Ų | 139 | 136.4 Ų | 136.4 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | trans | 118.6 | 136.4 | 142 | -67.8 | -25.8 | 0 | 0 | 0 | 114.2 | ||||
| 465 | Q | 30.5 | Very low | 31.2 | Very low | 150.5 Ų | 150.5 | 134.4 Ų | 134.4 | 70% | 0.703 | 75% | 0.749 | S | S | * | * | cis | 134.3 | 134.9 | 0.5 | -165.5 | 178.4 | 56 | 0 | 0 | 111.3 | ||||
| 466 | F | 31.1 | Very low | 31.2 | Very low | 175.5 Ų | 175.5 | 132.2 Ų | 132.2 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | trans | 141.7 | 137.2 | 158.3 | -81.8 | -91.1 | 0 | 0 | 0 | 112.1 | ||||
| 467 | N | 30.4 | Very low | 31.2 | Very low | 122.5 Ų | 122.5 | 133 Ų | 133 | 66% | 0.655 | 74% | 0.744 | S | S | * | * | cis | 132.4 | 162.3 | 17.6 | -96.6 | -7 | 0 | 0 | 0 | 111.3 | ||||
| 468 | V | 31.1 | Very low | 31.1 | Very low | 118 Ų | 118 | 127.7 Ų | 127.7 | 72% | 0.715 | 73% | 0.728 | S | S | * | * | 140.2 | 140.1 | 84.5 | 136.7 | 0 | 0 | 0 | 0 | 114 | |||||
| 469 | I | 31.1 | Very low | 31.2 | Very low | 138 Ų | 138 | 133.2 Ų | 133.2 | 71% | 0.708 | 73% | 0.729 | S | S | * | * | 77.1 | 122.5 | 105.9 | -68.7 | 167.8 | 0 | 0 | 0 | 114 | |||||
| 470 | T | 30.2 | Very low | 31.4 | Very low | 110.5 Ų | 110.5 | 134.8 Ų | 134.8 | 68% | 0.678 | 73% | 0.729 | S | S | * | * | cis | 132 | 146.9 | 19.4 | 51.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 471 | T | 34.1 | Very low | 31.4 | Very low | 132.5 Ų | 132.5 | 134.2 Ų | 134.2 | 81% | 0.813 | 73% | 0.728 | S | S | * | * | 137.7 | 158.2 | 127.2 | 54.9 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 472 | V | 31.7 | Very low | 31.4 | Very low | 129 Ų | 129 | 130.8 Ų | 130.8 | 78% | 0.782 | 72% | 0.724 | S | S | * | * | -140.4 | -176.7 | -79.5 | 161.4 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 473 | P | 37.4 | Very low | 31.2 | Very low | 110.5 Ų | 110.5 | 128.9 Ų | 128.9 | 72% | 0.718 | 72% | 0.723 | S | S | * | * | trans | -108 | -158.4 | -151.8 | 42.4 | -30.5 | 0 | 0 | 0 | 114.1 | ||||
| 474 | E | 32 | Very low | 31.1 | Very low | 166 Ų | 166 | 131.3 Ų | 131.3 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | trans | 135.9 | 140.9 | 152.7 | -80.7 | -157.2 | 142.9 | 0 | 0 | 115.3 | ||||
| 475 | L | 27.9 | Very low | 30.9 | Very low | 130.5 Ų | 130.5 | 129 Ų | 129 | 68% | 0.683 | 73% | 0.725 | S | S | * | * | 127.6 | 158.5 | 52.7 | -85.1 | 178.6 | 0 | 0 | 0 | 115.4 | |||||
| 476 | L | 29.9 | Very low | 30.9 | Very low | 129.5 Ų | 129.5 | 128.1 Ų | 128.1 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | 129.2 | 131.7 | 75.2 | -91.7 | 167 | 0 | 0 | 0 | 117.7 | |||||
| 477 | T | 29.4 | Very low | 30.8 | Very low | 122 Ų | 122 | 123 Ų | 123 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | trans | 58.3 | 151.3 | 139.8 | 55.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 478 | S | 29.3 | Very low | 30.7 | Very low | 82.5 Ų | 82.5 | 125.2 Ų | 125.2 | 58% | 0.577 | 74% | 0.736 | S | S | * | * | cis | -173.9 | 162.4 | -14 | 58 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 479 | K | 31.1 | Very low | 30.6 | Very low | 197.5 Ų | 197.5 | 123.9 Ų | 123.9 | 86% | 0.859 | 74% | 0.738 | S | S | * | * | trans | 68.5 | 153.7 | 161.9 | -62.4 | 163 | -177.2 | 173.8 | 0 | 115.6 | ||||
| 480 | S | 32.1 | Very low | 30.5 | Very low | 105 Ų | 105 | 123 Ų | 123 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | cis | -165.3 | 141.6 | -11.1 | 78.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 481 | L | 30.3 | Very low | 30.4 | Very low | 163.5 Ų | 163.5 | 122 Ų | 122 | 86% | 0.856 | 75% | 0.748 | S | S | * | * | cis | 136.3 | 139.3 | 35.8 | -174 | 74.4 | 0 | 0 | 0 | 109.5 | T483 | L481-T483 HydrophobicContact CD1-CG2 3.97Š| ||
| 482 | G | 32.1 | Very low | 30.1 | Very low | 58.5 Ų | 58.5 | 121.2 Ų | 121.2 | 60% | 0.603 | 74% | 0.742 | S | S | * | * | 167.4 | 120.6 | 90.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 483 | T | 29.1 | Very low | 30.2 | Very low | 116 Ų | 116 | 121 Ų | 121 | 71% | 0.712 | 74% | 0.743 | S | S | * | * | 57.3 | 132.7 | 91.1 | 66.7 | 0 | 0 | 0 | 0 | 114.8 | L481 | L481-T483 HydrophobicContact CD1-CG2 3.97Š| |||
| 484 | I | 28.8 | Very low | 29.5 | Very low | 160.5 Ų | 160.5 | 122.3 Ų | 122.3 | 82% | 0.823 | 74% | 0.743 | S | S | * | * | cis | -146.4 | -174.3 | 8.5 | -60.4 | 169.9 | 0 | 0 | 0 | 108.3 | ||||
| 485 | S | 29.3 | Very low | 29.3 | Very low | 91.5 Ų | 91.5 | 125.4 Ų | 125.4 | 64% | 0.64 | 75% | 0.75 | S | S | * | * | cis | -165.9 | 176 | -10.9 | -159.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 486 | T | 30 | Very low | 29.2 | Very low | 131.5 Ų | 131.5 | 124.5 Ų | 124.5 | 81% | 0.807 | 75% | 0.749 | S | S | * | * | trans | 11.6 | 142.5 | 161.3 | 51.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 487 | G | 30.1 | Very low | 29.1 | Very low | 67 Ų | 67 | 123.7 Ų | 123.7 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | -175.7 | 108.3 | 82 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 488 | I | 27.9 | Very low | 29 | Very low | 169 Ų | 169 | 125 Ų | 125 | 87% | 0.867 | 76% | 0.757 | S | S | * | * | 65.6 | 122.5 | 107.3 | -57.3 | 170.2 | 0 | 0 | 0 | 116.8 | |||||
| 489 | A | 28.3 | Very low | 29 | Very low | 91 Ų | 91 | 126.6 Ų | 126.6 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | 23.1 | 147.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 490 | S | 29.7 | Very low | 28.9 | Very low | 118 Ų | 118 | 124.5 Ų | 124.5 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | -149.8 | 143.1 | 59.7 | -103.1 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 491 | A | 28.4 | Very low | 28.9 | Very low | 91.5 Ų | 91.5 | 125.1 Ų | 125.1 | 76% | 0.756 | 77% | 0.769 | S | S | * | * | trans | -13 | 117.1 | 140.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 492 | V | 28.4 | Very low | 28.8 | Very low | 115 Ų | 115 | 120.7 Ų | 120.7 | 70% | 0.697 | 76% | 0.762 | S | S | * | * | trans | 140.8 | 125.6 | 144.4 | -179.9 | 0 | 0 | 0 | 0 | 113.4 | L494 | V492-L494 HydrophobicContact CG1-CB 3.56Å; V492-L494 HydrophobicContact CG1-CD1 3.66Å; V492-L494 HydrophobicContact CG1-CG 3.55Å; V492-L494 PolarHBondContact O-N 3.26Å | ||
| 493 | P | 31.8 | Very low | 28.8 | Very low | 123.5 Ų | 123.5 | 124.3 Ų | 124.3 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | -94.9 | 116.7 | 134 | 31.5 | -33.6 | 0 | 0 | 0 | 111.6 | Y495 | P493-Y495 PolarHBondContact O-N 2.95Š| ||
| 494 | L | 24.3 | Very low | 28.8 | Very low | 138 Ų | 138 | 124.7 Ų | 124.7 | 72% | 0.723 | 78% | 0.781 | S | S | * | * | -8.1 | 107.8 | 104.8 | -76.8 | 175.6 | 0 | 0 | 0 | 113.1 | V492 V496 | V492-L494 HydrophobicContact CG1-CB 3.56Å; V492-L494 HydrophobicContact CG1-CD1 3.66Å; V492-L494 HydrophobicContact CG1-CG 3.55Å; V492-L494 PolarHBondContact O-N 3.26Å; L494-V496 HydrophobicContact CB-CG2 4.5Å; L494-V496 HydrophobicContact CD2-CG2 4.27Å; L494-V496 PolarHBondContact O-N 3.37Å | |||
| 495 | Y | 27.4 | Very low | 28.8 | Very low | 232.5 Ų | 232.5 | 120.9 Ų | 120.9 | 91% | 0.912 | 78% | 0.781 | S | S | * | * | trans | -119.7 | 95.9 | 143.7 | -102 | -78.9 | 0 | 0 | 0 | 107.3 | P493 | P493-Y495 PolarHBondContact O-N 2.95Š| ||
| 496 | V | 25.6 | Very low | 28.8 | Very low | 111.5 Ų | 111.5 | 124.9 Ų | 124.9 | 68% | 0.676 | 79% | 0.79 | S | S | * | * | trans | -1.4 | 115.9 | 130.3 | 178.6 | 0 | 0 | 0 | 0 | 111.6 | L494 | L494-V496 HydrophobicContact CB-CG2 4.5Å; L494-V496 HydrophobicContact CD2-CG2 4.27Å; L494-V496 PolarHBondContact O-N 3.37Å | ||
| 497 | S | 27.6 | Very low | 28.6 | Very low | 112.5 Ų | 112.5 | 124.6 Ų | 124.6 | 79% | 0.787 | 78% | 0.782 | S | S | * | * | trans | -122.6 | 128.8 | 154 | 53.5 | 0 | 0 | 0 | 0 | 110.4 | S499 | S497-S499 PolarHBondContact O-N 3.02Š| ||
| 498 | N | 27.5 | Very low | 28.5 | Very low | 148 Ų | 148 | 128.5 Ų | 128.5 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -75.3 | 134.1 | 180 | -70.3 | -7.1 | 0 | 0 | 0 | 112.1 | ||||
| 499 | S | 30 | Very low | 28.6 | Very low | 117 Ų | 117 | 125.9 Ų | 125.9 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -124.4 | 127.5 | 132.2 | 55.1 | 0 | 0 | 0 | 0 | 109.7 | S497 | S497-S499 PolarHBondContact O-N 3.02Š| ||
| 500 | I | 29 | Very low | 28.8 | Very low | 154.5 Ų | 154.5 | 127 Ų | 127 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | trans | -101 | 123.9 | 173.5 | -69.2 | 172.7 | 0 | 0 | 0 | 108.8 | G502 | I500-G502 PolarHBondContact O-N 3.23Š| ||
| 501 | S | 30.7 | Very low | 28.9 | Very low | 117.5 Ų | 117.5 | 126.2 Ų | 126.2 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | trans | -81.3 | 117.6 | 164.1 | 50.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 502 | G | 29.6 | Very low | 29.1 | Very low | 69.5 Ų | 69.5 | 128.5 Ų | 128.5 | 72% | 0.716 | 77% | 0.768 | S | S | * | * | trans | -127.9 | 123.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | I500 | I500-G502 PolarHBondContact O-N 3.23Š| ||
| 503 | T | 30.7 | Very low | 29.2 | Very low | 134.5 Ų | 134.5 | 129.3 Ų | 129.3 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -133 | 127.8 | 176.8 | 36.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 504 | S | 28.8 | Very low | 29.2 | Very low | 125.5 Ų | 125.5 | 126.5 Ų | 126.5 | 88% | 0.878 | 77% | 0.766 | S | S | * | * | trans | 99.4 | 124.9 | 152.1 | -67.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 505 | G | 30.7 | Very low | 29.6 | Very low | 79.5 Ų | 79.5 | 131 Ų | 131 | 82% | 0.82 | 78% | 0.775 | S | S | * | * | trans | 162.3 | 116.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 506 | E | 29.2 | Very low | 29.6 | Very low | 176.5 Ų | 176.5 | 128.4 Ų | 128.4 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | -117.2 | 162.1 | 77.9 | -122.8 | 178.7 | 142.5 | 0 | 0 | 111.3 | |||||
| 507 | L | 25.1 | Very low | 30.1 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 65% | 0.654 | 78% | 0.775 | S | S | * | * | 135.2 | 160.7 | 74.8 | -156.3 | 63.7 | 0 | 0 | 0 | 113.9 | |||||
| 508 | M | 27.8 | Very low | 30.2 | Very low | 149.5 Ų | 149.5 | 127.9 Ų | 127.9 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | 71 | 138.6 | 166.2 | -48.9 | -53.3 | -175.1 | 0 | 0 | 116.6 | ||||
| 509 | T | 30.7 | Very low | 30.1 | Very low | 112.5 Ų | 112.5 | 130.5 Ų | 130.5 | 69% | 0.69 | 78% | 0.777 | S | S | * | * | cis | -168.9 | 152.3 | -6.3 | 18.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 510 | T | 32.2 | Very low | 30.1 | Very low | 116 Ų | 116 | 129.7 Ų | 129.7 | 71% | 0.712 | 77% | 0.771 | S | S | * | * | 130.9 | 137.1 | 74.5 | 33.2 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 511 | S | 32.3 | Very low | 30.1 | Very low | 100 Ų | 100 | 129.4 Ų | 129.4 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | trans | 63 | 146.5 | 139.1 | 8.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 512 | N | 31.3 | Very low | 30.1 | Very low | 141 Ų | 141 | 129.6 Ų | 129.6 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | cis | -165.8 | 151.2 | -2.4 | -120.3 | -5.3 | 0 | 0 | 0 | 111.1 | ||||
| 513 | V | 31.8 | Very low | 30.1 | Very low | 131.5 Ų | 131.5 | 131.5 Ų | 131.5 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | 57.1 | 135 | 153.4 | -176.7 | 0 | 0 | 0 | 0 | 118.3 | Y515 | V513-Y515 HydrophobicContact CG1-CD2 4.46Š| ||
| 514 | G | 30.6 | Very low | 30 | Very low | 63.5 Ų | 63.5 | 130.4 Ų | 130.4 | 66% | 0.655 | 77% | 0.768 | S | S | * | * | cis | 163.6 | -179.1 | -2.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 515 | Y | 33.3 | Very low | 30 | Very low | 234 Ų | 234 | 130.4 Ų | 130.4 | 92% | 0.918 | 76% | 0.762 | S | S | * | * | trans | 75.8 | 119.5 | 175.9 | -72.1 | -84 | 0 | 0 | 0 | 120 | V513 | V513-Y515 HydrophobicContact CG1-CD2 4.46Š| ||
| 516 | M | 27.9 | Very low | 29.9 | Very low | 176.5 Ų | 176.5 | 132.6 Ų | 132.6 | 87% | 0.869 | 75% | 0.754 | S | S | * | * | trans | -112.7 | -176.3 | 161.4 | -114.6 | -160.1 | 171.5 | 0 | 0 | 110.4 | ||||
| 517 | P | 35.2 | Very low | 29.8 | Very low | 109 Ų | 109 | 127.5 Ų | 127.5 | 71% | 0.708 | 74% | 0.736 | S | S | * | * | -125.4 | -169.7 | -50.8 | 36.5 | -17.1 | 0 | 0 | 0 | 115.5 | |||||
| 518 | S | 29.8 | Very low | 30 | Very low | 104.5 Ų | 104.5 | 127.5 Ų | 127.5 | 73% | 0.731 | 74% | 0.741 | S | S | * | * | trans | 157.2 | 127 | 146.8 | 45.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 519 | F | 25.8 | Very low | 29.9 | Very low | 204 Ų | 204 | 124.5 Ų | 124.5 | 90% | 0.895 | 74% | 0.735 | S | S | * | * | trans | -11.9 | 156.2 | 158.4 | -73.4 | -100.6 | 0 | 0 | 0 | 117.2 | ||||
| 520 | S | 29.9 | Very low | 29.7 | Very low | 99 Ų | 99 | 124.2 Ų | 124.2 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | -162.7 | 159.8 | -116.1 | 58.4 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 521 | I | 29.5 | Very low | 29.6 | Very low | 148.5 Ų | 148.5 | 124.3 Ų | 124.3 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | trans | 154.4 | 144.3 | 179.1 | -62.5 | 163.3 | 0 | 0 | 0 | 112.1 | ||||
| 522 | P | 31.2 | Very low | 29.4 | Very low | 121 Ų | 121 | 123.7 Ų | 123.7 | 79% | 0.786 | 73% | 0.728 | S | S | * | * | -93.9 | 167.5 | 87.6 | 24.9 | -14.5 | 0 | 0 | 0 | 112.2 | |||||
| 523 | S | 28.8 | Very low | 29.4 | Very low | 109 Ų | 109 | 122.4 Ų | 122.4 | 76% | 0.762 | 72% | 0.717 | S | S | * | * | -147.7 | 126 | -114.3 | -71.7 | 0 | 0 | 0 | 0 | 110 | |||||
| 524 | S | 27.4 | Very low | 29.3 | Very low | 113 Ų | 113 | 121.5 Ų | 121.5 | 79% | 0.79 | 71% | 0.705 | S | S | * | * | trans | -118.2 | 135.9 | 175.1 | 54.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 525 | V | 30.1 | Very low | 29.2 | Very low | 124 Ų | 124 | 124.3 Ų | 124.3 | 75% | 0.752 | 70% | 0.703 | S | S | * | * | 165.5 | 117.6 | 93.8 | -178.7 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 526 | I | 28.9 | Very low | 29 | Very low | 126 Ų | 126 | 119.1 Ų | 119.1 | 65% | 0.646 | 69% | 0.691 | S | S | * | * | trans | -36.7 | 114.2 | 156.9 | -53.4 | 172.3 | 0 | 0 | 0 | 112.9 | V528 D1310 | I526-V528 HydrophobicContact CG2-CG2 4.4Å; I526-D1310 WeakPolarHBondContact CA-OD1 3.37Å; I526-D1310 WeakPolarHBondContact CG1-OD1 3.36Å; I526-D1310 PolarHBondContact N-OD1 2.76Å | ||
| 527 | P | 26.9 | Very low | 29.1 | Very low | 69.5 Ų | 69.5 | 117.2 Ų | 117.2 | 45% | 0.451 | 68% | 0.684 | S | S | . | * | trans | -89.2 | 153.7 | 165.7 | 22.7 | -18.9 | 0 | 0 | 0 | 113.8 | P1309 M1341 | P527-P1309 VanDerWaalsContact C-CB 3.41Å; P527-P1309 VanDerWaalsContact C-CG 3.42Å; P527-P1309 HydrophobicContact CB-CB 3.65Å; P527-P1309 HydrophobicContact CB-CG 3.57Å; P527-P1309 HydrophobicContact CG-CB 3.44Å; P527-P1309 VanDerWaalsContact CG-CB 3.44Å; P527-P1309 HydrophobicContact CG-CG 3.83Å; P527-P1309 WeakPolarHBondContact O-CB 3.37Å; P527-P1309 WeakPolarHBondContact O-CG 3.28Å; P527-M1341 HydrophobicContact CB-CE 3.97Å; P527-M1341 HydrophobicContact CB-CG 3.43Å; P527-M1341 VanDerWaalsContact CB-CG 3.43Å; P527-M1341 HydrophobicContact CB-SD 4.34Å; P527-M1341 HydrophobicContact CG-CE 3.69Å; P527-M1341 HydrophobicContact CG-CG 3.42Å; P527-M1341 VanDerWaalsContact CG-CG 3.42Å; P527-M1341 HydrophobicContact CG-SD 3.84Å | ||
| 528 | V | 28.4 | Very low | 28.9 | Very low | 125.5 Ų | 125.5 | 117.2 Ų | 117.2 | 76% | 0.761 | 67% | 0.674 | S | S | * | * | trans | -146.9 | 125.4 | 162.4 | 178.6 | 0 | 0 | 0 | 0 | 111 | I526 | I526-V528 HydrophobicContact CG2-CG2 4.4Š| ||
| 529 | S | 25.5 | Very low | 28.9 | Very low | 86 Ų | 86 | 120 Ų | 120 | 60% | 0.601 | 67% | 0.67 | S | S | * | * | trans | -53.1 | 151.3 | 149.3 | 130.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 530 | C | 26.7 | Very low | 29.1 | Very low | 106.5 Ų | 106.5 | 115.2 Ų | 115.2 | 72% | 0.72 | 65% | 0.653 | S | S | * | * | -175.9 | 156.4 | 65.6 | -125.6 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 531 | N | 31 | Very low | 29.2 | Very low | 117.5 Ų | 117.5 | 114.8 Ų | 114.8 | 63% | 0.628 | 65% | 0.648 | S | S | * | * | trans | -9.6 | 154.8 | 165.3 | -78.7 | -22 | 0 | 0 | 0 | 119.4 | ||||
| 532 | S | 28.5 | Very low | 29.2 | Very low | 87.5 Ų | 87.5 | 110.9 Ų | 110.9 | 61% | 0.612 | 65% | 0.645 | S | S | * | * | -171 | 162.1 | 60.3 | 36.2 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 533 | H | 30.5 | Very low | 29.2 | Very low | 114.5 Ų | 114.5 | 114.1 Ų | 114.1 | 53% | 0.53 | 65% | 0.649 | S | S | . | * | 134.8 | 124.7 | 94 | -83.2 | -42.7 | 0 | 0 | 0 | 114.1 | |||||
| 534 | Q | 29.4 | Very low | 29.2 | Very low | 113.5 Ų | 113.5 | 111.9 Ų | 111.9 | 53% | 0.53 | 64% | 0.643 | S | S | . | * | 85.7 | 146.1 | 98.8 | -69.5 | 171.5 | -30.7 | 0 | 0 | 119.4 | |||||
| 535 | I | 28.8 | Very low | 29.3 | Very low | 122 Ų | 122 | 111.5 Ų | 111.5 | 63% | 0.626 | 64% | 0.64 | S | S | * | * | 157.5 | 135.1 | 101.4 | -51.7 | -178.5 | 0 | 0 | 0 | 115.2 | |||||
| 536 | L | 29.4 | Very low | 29.2 | Very low | 125 Ų | 125 | 111.4 Ų | 111.4 | 65% | 0.654 | 64% | 0.636 | S | S | * | * | 151.3 | 146.5 | 54.1 | -161.2 | 65.1 | 0 | 0 | 0 | 111.7 | |||||
| 537 | N | 29.9 | Very low | 29.3 | Very low | 135.5 Ų | 135.5 | 111.8 Ų | 111.8 | 73% | 0.725 | 64% | 0.635 | S | S | * | * | trans | -152.4 | 125.6 | 173.5 | -64.1 | -46.5 | 0 | 0 | 0 | 111.1 | ||||
| 538 | H | 30.9 | Very low | 29.4 | Very low | 109.5 Ų | 109.5 | 112.6 Ų | 112.6 | 51% | 0.507 | 64% | 0.638 | S | S | . | * | 126.2 | 115.9 | 51.6 | -94.8 | -65 | 0 | 0 | 0 | 115.2 | L540 N1055 | H538-L540 WeakPolarHBondContact ND1-CD1 3.36Å; H538-N1055 VanDerWaalsContact CG-O 3.26Å; H538-N1055 PolarHBondContact ND1-O 3.44Å; H538-N1055 VanDerWaalsContact ND1-O 3.15Å | |||
| 539 | Y | 28.6 | Very low | 29.5 | Very low | 164 Ų | 164 | 111.6 Ų | 111.6 | 64% | 0.643 | 64% | 0.637 | S | S | * | * | 131 | 112.4 | 128.7 | -104.6 | -91.3 | 0 | 0 | 0 | 117.1 | K1056 K1057 Q1058 | Y539-K1056 HydrophobicContact CD2-CG 4.47Å; Y539-K1056 HydrophobicContact CE1-CB 4.29Å; Y539-K1056 HydrophobicContact CE2-CB 4.36Å; Y539-K1056 HydrophobicContact CE2-CD 4.48Å; Y539-K1056 HydrophobicContact CE2-CG 3.9Å; Y539-K1057 VanDerWaalsContact CD1-C 3.45Å; Y539-K1057 HydrophobicContact CD1-CB 4.19Å; Y539-K1057 VanDerWaalsContact CD1-O 3.31Å; Y539-K1057 WeakPolarHBondContact CD1-O 3.47Å; Y539-K1057 HydrophobicContact CG-CB 4.46Å; Y539-K1057 PolarHBondContact O-NZ 3.49Å; Y539-Q1058 HydrophobicContact CE1-CB 4.5Å; Y539-Q1058 HydrophobicContact CE1-CG 3.81Å | |||
| 540 | L | 31.1 | Very low | 29.6 | Very low | 102.5 Ų | 102.5 | 110.7 Ų | 110.7 | 54% | 0.537 | 64% | 0.641 | S | S | . | * | trans | -9.9 | 158.8 | 139.8 | -83.9 | 75.1 | 0 | 0 | 0 | 114.3 | H538 K1057 | H538-L540 WeakPolarHBondContact ND1-CD1 3.36Å; L540-K1057 CarbonylContact C-O 3.6Å; L540-K1057 WeakPolarHBondContact O-CB 3.46Å; L540-K1057 WeakPolarHBondContact O-CD 3.47Å; L540-K1057 WeakPolarHBondContact O-CE 3.1Å; L540-K1057 WeakPolarHBondContact O-CG 3.43Å; L540-K1057 PolarHBondContact O-NZ 2.83Å; L540-K1057 VanDerWaalsContact O-NZ 3.14Å | ||
| 541 | P | 32.7 | Very low | 29.7 | Very low | 90 Ų | 90 | 113.2 Ų | 113.2 | 58% | 0.584 | 65% | 0.646 | S | S | * | * | -105 | 172.3 | -107.7 | 31.7 | -17.6 | 0 | 0 | 0 | 111.9 | K1057 Q1058 P1059 | P541-K1057 VanDerWaalsContact CD-O 3.26Å; P541-K1057 WeakPolarHBondContact CD-O 3.32Å; P541-Q1058 VanDerWaalsContact CG-O 3.26Å; P541-Q1058 WeakPolarHBondContact CG-O 3.39Å; P541-P1059 HydrophobicContact CB-CB 4.37Å; P541-P1059 HydrophobicContact CG-CB 4.27Å | |||
| 542 | G | 29.3 | Very low | 29.6 | Very low | 67.5 Ų | 67.5 | 114.5 Ų | 114.5 | 70% | 0.696 | 65% | 0.652 | S | S | * | * | -173 | 144.5 | -92 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 543 | H | 30.8 | Very low | 29.7 | Very low | 188.5 Ų | 188.5 | 116.2 Ų | 116.2 | 87% | 0.873 | 66% | 0.664 | S | S | * | * | trans | -10.5 | 151.3 | 179.7 | -76.2 | -95 | 0 | 0 | 0 | 115.1 | L1061 | H543-L1061 WeakPolarHBondContact NE2-CD1 3.36Š| ||
| 544 | G | 28.3 | Very low | 29.6 | Very low | 62 Ų | 62 | 117.4 Ų | 117.4 | 64% | 0.639 | 67% | 0.674 | S | S | * | * | 147.8 | 130.3 | 79.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 545 | S | 30 | Very low | 29.7 | Very low | 105 Ų | 105 | 117.3 Ų | 117.3 | 73% | 0.734 | 69% | 0.686 | S | S | * | * | 65.3 | 136.4 | 111.6 | 58.9 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 546 | D | 28.1 | Very low | 29.8 | Very low | 121.5 Ų | 121.5 | 120.4 Ų | 120.4 | 65% | 0.65 | 70% | 0.698 | S | S | * | * | -115.5 | 150.9 | 95.3 | -68.8 | -60.6 | 0 | 0 | 0 | 111.9 | |||||
| 547 | E | 30.3 | Very low | 29.8 | Very low | 135 Ų | 135 | 117.7 Ų | 117.7 | 63% | 0.631 | 70% | 0.701 | S | S | * | * | trans | 116 | 147.9 | 134.6 | -73 | -140.2 | 104.4 | 0 | 0 | 117.5 | R1104 | E547-R1104 VanDerWaalsContact CD-NH1 3.27Å; E547-R1104 IonicContact OE1-CZ 3.69Å; E547-R1104 IonicContact OE1-NH1 2.81Å; E547-R1104 PolarHBondContact OE1-NH1 2.71Å; E547-R1104 IonicContact OE1-NH2 2.71Å; E547-R1104 PolarHBondContact OE1-NH2 3.24Å; E547-R1104 IonicContact OE2-CZ 2.88Å; E547-R1104 IonicContact OE2-NE 2.65Å; E547-R1104 IonicContact OE2-NH1 3.17Å; E547-R1104 IonicContact OE2-NH2 4Å; E547-R1104 PolarHBondContact OE2-NH2 3.26Å | ||
| 548 | T | 29.9 | Very low | 29.7 | Very low | 85.5 Ų | 85.5 | 116.6 Ų | 116.6 | 53% | 0.525 | 70% | 0.703 | S | S | . | * | 102.8 | 161.6 | 72 | 54.5 | 0 | 0 | 0 | 0 | 115.9 | R1104 Q1108 | T548-R1104 VanDerWaalsContact OG1-CD 3.23Å; T548-R1104 WeakPolarHBondContact OG1-CD 3.5Å; T548-R1104 PolarHBondContact OG1-NH1 3.26Å; T548-Q1108 PolarHBondContact O-NE2 3.22Å | |||
| 549 | S | 29.2 | Very low | 29.5 | Very low | 104.5 Ų | 104.5 | 117.7 Ų | 117.7 | 73% | 0.731 | 72% | 0.718 | S | S | * | * | trans | 64.5 | 132 | 134.6 | -47.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 550 | G | 28.4 | Very low | 29.5 | Very low | 67 Ų | 67 | 115.5 Ų | 115.5 | 69% | 0.691 | 73% | 0.726 | S | S | * | * | 157.7 | 148.5 | 68.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 551 | I | 29 | Very low | 29.2 | Very low | 159 Ų | 159 | 119.8 Ų | 119.8 | 82% | 0.815 | 74% | 0.741 | S | S | * | * | trans | 66.8 | 100.5 | 161.4 | -57 | 173.5 | 0 | 0 | 0 | 114.3 | ||||
| 552 | L | 27.9 | Very low | 29 | Very low | 146 Ų | 146 | 122 Ų | 122 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | 67.2 | 122.3 | 75.7 | -72.7 | 167.2 | 0 | 0 | 0 | 115 | |||||
| 553 | S | 31.5 | Very low | 28.9 | Very low | 122 Ų | 122 | 123.6 Ų | 123.6 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | trans | -167.1 | 133.3 | 134.5 | -117.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 554 | D | 28.3 | Very low | 28.8 | Very low | 140.5 Ų | 140.5 | 117.9 Ų | 117.9 | 75% | 0.751 | 75% | 0.752 | S | S | * | * | trans | -96.1 | 158.3 | -172.8 | -50.8 | -83.6 | 0 | 0 | 0 | 114 | ||||
| 555 | S | 32 | Very low | 29.1 | Very low | 111.5 Ų | 111.5 | 120.5 Ų | 120.5 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | trans | -178.3 | 115.3 | 144.7 | -123.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 556 | E | 30.7 | Very low | 29.2 | Very low | 186.5 Ų | 186.5 | 124.2 Ų | 124.2 | 87% | 0.871 | 76% | 0.763 | S | S | * | * | 55.9 | 114.6 | 67.6 | -63 | -152.9 | 163.9 | 0 | 0 | 114.3 | |||||
| 557 | G | 29.1 | Very low | 29.2 | Very low | 69 Ų | 69 | 123.9 Ų | 123.9 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | 122.7 | 178.4 | 79.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 558 | S | 27.9 | Very low | 29.1 | Very low | 111.5 Ų | 111.5 | 124.4 Ų | 124.4 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | 128.7 | 136 | 69.9 | -76.7 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 559 | T | 27.1 | Very low | 29.1 | Very low | 132 Ų | 132 | 125 Ų | 125 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | 58.5 | 96.9 | 94.4 | 66 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 560 | S | 28.4 | Very low | 29 | Very low | 118 Ų | 118 | 128.2 Ų | 128.2 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -177.1 | 130.7 | 137.5 | 49.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 561 | F | 23.9 | Very low | 29 | Very low | 194 Ų | 194 | 133.1 Ų | 133.1 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | cis | 80.5 | 77 | 39 | -114.3 | -70.6 | 0 | 0 | 0 | 116.8 | ||||
| 562 | T | 29.5 | Very low | 29 | Very low | 135 Ų | 135 | 133.3 Ų | 133.3 | 83% | 0.828 | 78% | 0.782 | S | S | * | * | trans | -169.1 | 128.5 | 139 | 31.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 563 | A | 27.4 | Very low | 29 | Very low | 101 Ų | 101 | 131 Ų | 131 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | cis | 84.9 | 108.8 | 45.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 564 | G | 27.5 | Very low | 28.9 | Very low | 70 Ų | 70 | 133.5 Ų | 133.5 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | 161.2 | 122 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 565 | P | 35.6 | Very low | 29.2 | Very low | 115.5 Ų | 115.5 | 131.8 Ų | 131.8 | 75% | 0.75 | 77% | 0.773 | S | S | * | * | trans | -125.5 | 164.3 | -159.6 | 40.6 | -27.6 | 0 | 0 | 0 | 116.6 | ||||
| 566 | Q | 30.9 | Very low | 28.9 | Very low | 183 Ų | 183 | 134.6 Ų | 134.6 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | 138.4 | 153.1 | 142.2 | -97.6 | 171.7 | 33.3 | 0 | 0 | 117.4 | ||||
| 567 | T | 28.5 | Very low | 28.8 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 71% | 0.712 | 77% | 0.769 | S | S | * | * | trans | 5.5 | 146 | 177.4 | 55.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 568 | N | 29.3 | Very low | 29 | Very low | 144.5 Ų | 144.5 | 137 Ų | 137 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | cis | -161.3 | 155.9 | 38.1 | -109.2 | -9 | 0 | 0 | 0 | 113 | ||||
| 569 | T | 28.5 | Very low | 29 | Very low | 98.5 Ų | 98.5 | 135.4 Ų | 135.4 | 60% | 0.604 | 76% | 0.758 | S | S | * | * | trans | -7.7 | 162.6 | 163.9 | 49.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 570 | F | 27.6 | Very low | 29.1 | Very low | 171 Ų | 171 | 133.3 Ų | 133.3 | 75% | 0.75 | 75% | 0.749 | S | S | * | * | 141.6 | 133.6 | 106.8 | -80.9 | -90.6 | 0 | 0 | 0 | 117.3 | |||||
| 571 | F | 28 | Very low | 29.2 | Very low | 170.5 Ų | 170.5 | 131 Ų | 131 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | 108.4 | 152.5 | 62.5 | -97.5 | -121.4 | 0 | 0 | 0 | 117.8 | |||||
| 572 | L | 28.8 | Very low | 29.5 | Very low | 162.5 Ų | 162.5 | 127.2 Ų | 127.2 | 85% | 0.851 | 74% | 0.742 | S | S | * | * | trans | -10.2 | 158.2 | 152.4 | -81.7 | 158 | 0 | 0 | 0 | 115.2 | ||||
| 573 | S | 29 | Very low | 29.5 | Very low | 98 Ų | 98 | 125.6 Ų | 125.6 | 69% | 0.685 | 74% | 0.736 | S | S | * | * | trans | -151.9 | 162.1 | 179.2 | 51.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 574 | H | 29.6 | Very low | 29.5 | Very low | 175 Ų | 175 | 128 Ų | 128 | 81% | 0.81 | 74% | 0.735 | S | S | * | * | trans | -4.1 | 157.1 | 159.5 | -71.4 | -47.2 | 0 | 0 | 0 | 112.7 | ||||
| 575 | P | 33.3 | Very low | 29.5 | Very low | 104.5 Ų | 104.5 | 130.8 Ų | 130.8 | 68% | 0.679 | 74% | 0.738 | S | S | * | * | trans | -132.4 | 175 | -171.1 | 14.1 | 10.1 | 0 | 0 | 0 | 112.5 | ||||
| 576 | F | 27.1 | Very low | 29.2 | Very low | 170.5 Ų | 170.5 | 134 Ų | 134 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | 77.2 | 130.9 | 100.8 | -86.1 | -60.6 | 0 | 0 | 0 | 119.1 | |||||
| 577 | Y | 27.3 | Very low | 28.9 | Very low | 210 Ų | 210 | 130.8 Ų | 130.8 | 82% | 0.824 | 74% | 0.735 | S | S | * | * | trans | 6.9 | 147.4 | 159.7 | -93 | -87.6 | 0 | 0 | 0 | 117.2 | ||||
| 578 | P | 33.6 | Very low | 28.9 | Very low | 97 Ų | 97 | 132.9 Ų | 132.9 | 63% | 0.63 | 74% | 0.741 | S | S | * | * | trans | -130.2 | 176 | 144.8 | 36.7 | -21.2 | 0 | 0 | 0 | 113.6 | E849 | P578-E849 WeakPolarHBondContact CB-OE1 3.35Å; P578-E849 WeakPolarHBondContact CB-OE2 3.44Å; P578-E849 VanDerWaalsContact CG-CD 3.48Å; P578-E849 WeakPolarHBondContact CG-OE1 3.26Å; P578-E849 WeakPolarHBondContact CG-OE2 3.39Å | ||
| 579 | A | 28.8 | Very low | 28.9 | Very low | 76.5 Ų | 76.5 | 134 Ų | 134 | 63% | 0.632 | 74% | 0.741 | S | S | * | * | trans | -148.4 | 135 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | N848 E849 | A579-N848 VanDerWaalsContact O-O 3.05Å; A579-E849 PolarHBondContact N-OE2 2.78Å | ||
| 580 | S | 29.5 | Very low | 29.1 | Very low | 87.5 Ų | 87.5 | 134.7 Ų | 134.7 | 61% | 0.612 | 75% | 0.747 | S | S | * | * | trans | -130.5 | 148.2 | 172.2 | 47.4 | 0 | 0 | 0 | 0 | 116.6 | N848 E849 T850 | S580-N848 WeakPolarHBondContact CA-O 3.22Å; S580-E849 VanDerWaalsContact CA-O 3.28Å; S580-E849 WeakPolarHBondContact CA-O 3.43Å; S580-E849 WeakPolarHBondContact CB-O 3.44Å; S580-T850 WeakPolarHBondContact CB-O 3.2Å; S580-T850 WeakPolarHBondContact CB-OG1 3.48Å; S580-T850 PolarHBondContact N-OG1 2.91Å; S580-T850 PolarHBondContact OG-OG1 2.64Å | ||
| 581 | G | 28.8 | Very low | 29 | Very low | 71.5 Ų | 71.5 | 132 Ų | 132 | 74% | 0.737 | 74% | 0.744 | S | S | * | * | trans | 151.5 | 119 | 139.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 582 | S | 30 | Very low | 29 | Very low | 113.5 Ų | 113.5 | 131 Ų | 131 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | trans | 148.6 | 151 | 163.7 | -156.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 583 | S | 29.8 | Very low | 28.8 | Very low | 101.5 Ų | 101.5 | 128.5 Ų | 128.5 | 71% | 0.71 | 74% | 0.741 | S | S | * | * | -170.1 | 157.6 | 51.4 | 38.7 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 584 | D | 28.8 | Very low | 28.9 | Very low | 150 Ų | 150 | 128.8 Ų | 128.8 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | -118.8 | 166 | 123.4 | -77.8 | -81.3 | 0 | 0 | 0 | 115.4 | |||||
| 585 | V | 26.8 | Very low | 28.8 | Very low | 130 Ų | 130 | 127.4 Ų | 127.4 | 79% | 0.788 | 75% | 0.747 | S | S | * | * | trans | -113.1 | 146.2 | 152.3 | 152.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 586 | Q | 29 | Very low | 28.5 | Very low | 183 Ų | 183 | 125.7 Ų | 125.7 | 86% | 0.855 | 75% | 0.749 | S | S | * | * | trans | -118.6 | 166.2 | 148.8 | -82.4 | 175.1 | -2 | 0 | 0 | 113.7 | ||||
| 587 | V | 24.8 | Very low | 28.7 | Very low | 116 Ų | 116 | 125.8 Ų | 125.8 | 70% | 0.703 | 76% | 0.756 | S | S | * | * | trans | -170.7 | 123.8 | 160.7 | 178 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 588 | I | 28.6 | Very low | 28.8 | Very low | 159.5 Ų | 159.5 | 123.7 Ų | 123.7 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | 142.9 | 128.3 | 142.9 | -84.3 | 157.3 | 0 | 0 | 0 | 116.2 | ||||
| 589 | Q | 30.1 | Very low | 28.8 | Very low | 167.5 Ų | 167.5 | 123.9 Ų | 123.9 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | trans | -93 | 156.9 | 157 | -68.1 | -178.9 | -38.1 | 0 | 0 | 109.1 | V591 | Q589-V591 HydrophobicContact CB-CG2 4.43Š| ||
| 590 | P | 32 | Very low | 28.9 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | -147.5 | 150 | 90.2 | 42.3 | -25.6 | 0 | 0 | 0 | 113.2 | |||||
| 591 | V | 26 | Very low | 28.9 | Very low | 114 Ų | 114 | 129.5 Ų | 129.5 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | 76.3 | 112.2 | 70.6 | 176.5 | 0 | 0 | 0 | 0 | 115.4 | Q589 | Q589-V591 HydrophobicContact CB-CG2 4.43Š| |||
| 592 | I | 27.1 | Very low | 28.9 | Very low | 151 Ų | 151 | 131.7 Ų | 131.7 | 77% | 0.774 | 77% | 0.767 | S | S | * | * | trans | 126.5 | 133.6 | 140.6 | -82.7 | 166.5 | 0 | 0 | 0 | 117 | ||||
| 593 | S | 26 | Very low | 28.9 | Very low | 108.5 Ų | 108.5 | 131.2 Ų | 131.2 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | trans | 59.1 | 131.8 | 157.6 | -68.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 594 | S | 29 | Very low | 29 | Very low | 104.5 Ų | 104.5 | 131.6 Ų | 131.6 | 73% | 0.731 | 77% | 0.766 | S | S | * | * | cis | -166.1 | 126.4 | 49 | 55.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 595 | T | 27.8 | Very low | 29.1 | Very low | 145.5 Ų | 145.5 | 129.7 Ų | 129.7 | 89% | 0.893 | 76% | 0.76 | S | S | * | * | trans | 139 | 133.3 | 165.2 | 49.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 596 | G | 28.4 | Very low | 29.3 | Very low | 70 Ų | 70 | 132.5 Ų | 132.5 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | 174.2 | 108.2 | -74.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 597 | I | 29.8 | Very low | 29.2 | Very low | 171 Ų | 171 | 130.8 Ų | 130.8 | 88% | 0.877 | 76% | 0.758 | S | S | * | * | trans | 66.5 | 118.8 | 157.4 | -55.8 | 170.2 | 0 | 0 | 0 | 117.6 | ||||
| 598 | M | 30.3 | Very low | 29.5 | Very low | 166 Ų | 166 | 134.7 Ų | 134.7 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -49.4 | 176.3 | 155.1 | -91.4 | -164.6 | 131.4 | 0 | 0 | 114.9 | ||||
| 599 | P | 34.5 | Very low | 29.4 | Very low | 101.5 Ų | 101.5 | 131.8 Ų | 131.8 | 66% | 0.659 | 76% | 0.76 | S | S | * | * | cis | -150.5 | 172.5 | 39.8 | 42.3 | -21.8 | 0 | 0 | 0 | 118.2 | ||||
| 600 | K | 29.7 | Very low | 29.3 | Very low | 188 Ų | 188 | 131 Ų | 131 | 82% | 0.817 | 76% | 0.76 | S | S | * | * | trans | 43.9 | 149.6 | 140.3 | -68.4 | 170.6 | -176.2 | 177.8 | 0 | 119.9 | ||||
| 601 | S | 29.2 | Very low | 29 | Very low | 93 Ų | 93 | 131.6 Ų | 131.6 | 65% | 0.65 | 76% | 0.762 | S | S | * | * | cis | -168.4 | 175.8 | -12.5 | 51.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 602 | T | 30.2 | Very low | 29.1 | Very low | 119 Ų | 119 | 131 Ų | 131 | 73% | 0.73 | 76% | 0.762 | S | S | * | * | 92.4 | 145 | 117.9 | 21.4 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 603 | S | 29.5 | Very low | 29.2 | Very low | 103.667 Ų | 103.667 | 131.8 Ų | 131.8 | 73% | 0.725 | 76% | 0.763 | S | S | * | * | 91.6 | 127 | 127.5 | 49.3 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 604 | S | 32 | Very low | 29.3 | Very low | 109.333 Ų | 109.333 | 133.4 Ų | 133.4 | 77% | 0.765 | 76% | 0.762 | S | S | * | * | 162.5 | 151.1 | 125 | 62.3 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 605 | T | 29.7 | Very low | 29.4 | Very low | 110.333 Ų | 110.333 | 134.5 Ų | 134.5 | 68% | 0.677 | 76% | 0.764 | S | S | * | * | trans | -133 | 151.7 | 176.7 | 42.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 606 | F | 31 | Very low | 29.4 | Very low | 188 Ų | 188 | 132.7 Ų | 132.7 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | trans | 154.3 | 118.3 | 135.9 | -87.9 | -73 | 0 | 0 | 0 | 113.3 | ||||
| 607 | L | 27 | Very low | 29.8 | Very low | 147 Ų | 147 | 135.2 Ų | 135.2 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | 64.9 | 115.2 | 69.8 | -103.4 | 177.3 | 0 | 0 | 0 | 118.4 | |||||
| 608 | K | 31.2 | Very low | 29.8 | Very low | 197.333 Ų | 197.333 | 132.4 Ų | 132.4 | 86% | 0.858 | 76% | 0.756 | S | S | * | * | trans | 134.3 | 147.8 | 147.2 | -79.7 | 170 | -178.3 | 178.7 | 0 | 113.5 | ||||
| 609 | S | 27.1 | Very low | 29.8 | Very low | 100 Ų | 100 | 130.9 Ų | 130.9 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | cis | 150.7 | 137 | 11.2 | -177.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 610 | L | 27.2 | Very low | 29.4 | Very low | 150.667 Ų | 150.667 | 130.1 Ų | 130.1 | 79% | 0.789 | 75% | 0.753 | S | S | * | * | cis | -164.4 | 172.1 | 37.8 | -138.6 | 68.8 | 0 | 0 | 0 | 115 | ||||
| 611 | T | 27.2 | Very low | 29.4 | Very low | 125 Ų | 125 | 127.6 Ų | 127.6 | 77% | 0.767 | 75% | 0.754 | S | S | * | * | trans | 35.7 | 123.7 | 165.4 | 48.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 612 | S | 28.3 | Very low | 29.4 | Very low | 100.667 Ų | 100.667 | 129.3 Ų | 129.3 | 70% | 0.704 | 75% | 0.754 | S | S | * | * | 175.9 | 147.7 | 99.2 | 61.8 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 613 | Q | 29 | Very low | 29.3 | Very low | 169.333 Ų | 169.333 | 131.1 Ų | 131.1 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | 69.9 | 122.4 | 127.8 | -61.7 | -169.2 | 5.2 | 0 | 0 | 118.9 | |||||
| 614 | I | 26.4 | Very low | 29.4 | Very low | 142 Ų | 142 | 130.9 Ų | 130.9 | 73% | 0.728 | 76% | 0.755 | S | S | * | * | 100.8 | 124.7 | 66.1 | -72 | 166.8 | 0 | 0 | 0 | 113.7 | |||||
| 615 | T | 31.1 | Very low | 29.2 | Very low | 126.333 Ų | 126.333 | 132.3 Ų | 132.3 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | trans | 149.6 | 97.3 | 152.8 | 26.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 616 | S | 29.5 | Very low | 29.2 | Very low | 108.667 Ų | 108.667 | 132.4 Ų | 132.4 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | 69 | 160.7 | 107.5 | 72 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 617 | P | 35.2 | Very low | 29 | Very low | 122.333 Ų | 122.333 | 129 Ų | 129 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | -124 | 172.2 | -113 | 36.7 | -19 | 0 | 0 | 0 | 115.7 | |||||
| 618 | S | 29.5 | Very low | 29 | Very low | 111.667 Ų | 111.667 | 128.3 Ų | 128.3 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | trans | -132.8 | 147.5 | 165.3 | 24.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 619 | V | 31.2 | Very low | 28.9 | Very low | 135.667 Ų | 135.667 | 124.8 Ų | 124.8 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | trans | -93.2 | 125.2 | 156.1 | 179.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 620 | S | 26.6 | Very low | 28.9 | Very low | 84.6667 Ų | 84.6667 | 127.1 Ų | 127.1 | 59% | 0.592 | 74% | 0.739 | S | S | * | * | trans | 37.1 | 150.1 | 138.9 | -54.4 | 0 | 0 | 0 | 0 | 115.6 | L1370 | S620-L1370 WeakPolarHBondContact OG-CD2 3.28Š| ||
| 621 | T | 30 | Very low | 28.9 | Very low | 134.667 Ų | 134.667 | 129.4 Ų | 129.4 | 83% | 0.826 | 74% | 0.738 | S | S | * | * | trans | 162.5 | 135.6 | 145.5 | -35.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 622 | I | 28.4 | Very low | 29 | Very low | 129.333 Ų | 129.333 | 128.3 Ų | 128.3 | 66% | 0.663 | 73% | 0.734 | S | S | * | * | trans | -129.1 | 150.9 | 176.5 | -78.5 | 150 | 0 | 0 | 0 | 109.9 | P624 L1370 | I622-P624 HydrophobicContact CG2-CG 4.46Å; I622-L1370 VanDerWaalsContact CD1-O 3.23Å; I622-L1370 WeakPolarHBondContact CD1-O 3.45Å; I622-L1370 WeakPolarHBondContact CG1-O 3.37Å | ||
| 623 | L | 29 | Very low | 29 | Very low | 157 Ų | 157 | 130.6 Ų | 130.6 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | trans | -119.3 | 147.5 | 164.2 | -138.8 | 84.3 | 0 | 0 | 0 | 111.1 | L625 | L623-L625 HydrophobicContact CD2-CD1 3.78Š| ||
| 624 | P | 30.7 | Very low | 28.9 | Very low | 99.6667 Ų | 99.6667 | 128.3 Ų | 128.3 | 65% | 0.647 | 74% | 0.742 | S | S | * | * | trans | -110.3 | 164.3 | -174.5 | 38 | -32.4 | 0 | 0 | 0 | 115 | I622 | I622-P624 HydrophobicContact CG2-CG 4.46Š| ||
| 625 | L | 27 | Very low | 29.1 | Very low | 138.667 Ų | 138.667 | 127.3 Ų | 127.3 | 73% | 0.726 | 75% | 0.748 | S | S | * | * | trans | -165.7 | 123.7 | 165.1 | -93.1 | 98 | 0 | 0 | 0 | 115.7 | L623 | L623-L625 HydrophobicContact CD2-CD1 3.78Š| ||
| 626 | T | 29.6 | Very low | 28.9 | Very low | 112.667 Ų | 112.667 | 125.2 Ų | 125.2 | 69% | 0.691 | 75% | 0.751 | S | S | * | * | trans | 77.6 | 101.7 | 150.9 | 33.5 | 0 | 0 | 0 | 0 | 120.4 | E685 | T626-E685 VanDerWaalsContact C-CD 3.48Š| ||
| 627 | V | 27.6 | Very low | 29 | Very low | 114.667 Ų | 114.667 | 123.9 Ų | 123.9 | 70% | 0.695 | 75% | 0.747 | S | S | * | * | 46 | 106 | 125.8 | -178.1 | 0 | 0 | 0 | 0 | 118.8 | E685 | V627-E685 VanDerWaalsContact C-CD 3.48Å; V627-E685 VanDerWaalsContact CA-OE2 3.26Å; V627-E685 WeakPolarHBondContact CA-OE2 3.35Å; V627-E685 PolarHBondContact N-OE1 3.43Å; V627-E685 PolarHBondContact N-OE2 3.06Å | |||
| 628 | L | 27.3 | Very low | 28.9 | Very low | 133.333 Ų | 133.333 | 124 Ų | 124 | 70% | 0.698 | 75% | 0.745 | S | S | * | * | trans | 140.8 | 146.6 | 136.8 | -82.4 | 168.6 | 0 | 0 | 0 | 114.9 | T683 C684 E685 | L628-T683 HydrophobicContact CB-CG2 3.5Å; L628-T683 VanDerWaalsContact CB-CG2 3.5Å; L628-T683 HydrophobicContact CD1-CG2 4.19Å; L628-T683 HydrophobicContact CD2-CG2 3.55Å; L628-T683 HydrophobicContact CG-CG2 3.88Å; L628-C684 VanDerWaalsContact CB-C 3.45Å; L628-C684 VanDerWaalsContact CB-O 3.31Å; L628-C684 WeakPolarHBondContact CB-O 3.18Å; L628-C684 PolarHBondContact O-SG 3.43Å; L628-C684 VanDerWaalsContact O-SG 3.38Å; L628-E685 HydrophobicContact CB-CB 4.39Å; L628-E685 PolarHBondContact N-OE2 3.47Å; L628-E685 WeakPolarHBondContact O-CB 3.1Å | ||
| 629 | T | 29.5 | Very low | 29.2 | Very low | 123.333 Ų | 123.333 | 128.9 Ų | 128.9 | 76% | 0.757 | 75% | 0.748 | S | S | * | * | trans | -162 | 154.8 | 142.1 | 50.3 | 0 | 0 | 0 | 0 | 117.4 | T683 | T629-T683 PolarHBondContact O-OG1 2.04Š| ||
| 630 | E | 27.2 | Very low | 29.7 | Very low | 149 Ų | 149 | 128 Ų | 128 | 70% | 0.696 | 74% | 0.736 | S | S | * | * | trans | -53.7 | 142.3 | 170.2 | -68 | -146.7 | 119.2 | 0 | 0 | 116.5 | P682 T683 C684 | E630-P682 HydrophobicContact CG-CG 4.07Å; E630-P682 WeakPolarHBondContact OE1-CD 3.48Å; E630-P682 WeakPolarHBondContact OE1-CG 3.01Å; E630-T683 WeakPolarHBondContact CA-OG1 3.07Å; E630-T683 VanDerWaalsContact CG-O 3.27Å; E630-T683 WeakPolarHBondContact CG-O 3.4Å; E630-T683 PolarHBondContact N-OG1 3.36Å; E630-C684 HydrophobicContact CG-CB 4.29Å; E630-C684 PolarHBondContact N-SG 2.88Å | ||
| 631 | R | 27.2 | Very low | 30.5 | Very low | 199.333 Ų | 199.333 | 127.6 Ų | 127.6 | 75% | 0.752 | 73% | 0.733 | S | S | * | * | 104.7 | 106.1 | 110.6 | -172.1 | 175.9 | -169.2 | 155.1 | 3 | 115.9 | L681 P682 | R631-L681 PolarHBondContact NH2-O 3.34Å; R631-P682 HydrophobicContact CB-CG 3.8Å; R631-P682 HydrophobicContact CG-CG 3.88Å | |||
| 632 | S | 28.8 | Very low | 31.4 | Very low | 100.333 Ų | 100.333 | 126 Ų | 126 | 70% | 0.702 | 72% | 0.724 | S | S | * | * | trans | 156.4 | 143 | 134.6 | 56.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 633 | N | 29.1 | Very low | 32.2 | Very low | 150 Ų | 150 | 124.2 Ų | 124.2 | 80% | 0.802 | 72% | 0.716 | S | S | * | * | trans | 57.5 | 106 | 150.1 | -61.9 | 0.8 | 0 | 0 | 0 | 121 | ||||
| 634 | S | 26.4 | Very low | 33.1 | Very low | 122 Ų | 122 | 119.7 Ų | 119.7 | 85% | 0.853 | 69% | 0.692 | S | S | * | * | trans | -169.5 | 124.3 | 137.3 | 52.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 635 | S | 30 | Very low | 34 | Very low | 120.667 Ų | 120.667 | 119.8 Ų | 119.8 | 84% | 0.844 | 69% | 0.686 | S | S | * | * | trans | -147 | 125.5 | 156 | 54.6 | 0 | 0 | 0 | 0 | 109.5 | A637 | S635-A637 PolarHBondContact O-N 3.16Š| ||
| 636 | G | 27.2 | Very low | 34.8 | Very low | 81.6667 Ų | 81.6667 | 116.4 Ų | 116.4 | 84% | 0.842 | 68% | 0.678 | S | S | * | * | trans | -86.5 | 107.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T638 | G636-T638 PolarHBondContact O-N 3.13Š| ||
| 637 | A | 30.6 | Very low | 35.8 | Very low | 81.6667 Ų | 81.6667 | 115.1 Ų | 115.1 | 68% | 0.675 | 66% | 0.664 | S | S | * | * | trans | -99.5 | 111.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | S635 Y639 | S635-A637 PolarHBondContact O-N 3.16Å; A637-Y639 HydrophobicContact CB-CE2 4.38Å; A637-Y639 WeakPolarHBondContact O-CD2 3.49Å; A637-Y639 PolarHBondContact O-N 3.03Å | ||
| 638 | T | 33.7 | Very low | 36.7 | Very low | 124 Ų | 124 | 113.6 Ų | 113.6 | 76% | 0.761 | 65% | 0.65 | S | S | * | * | trans | -53.6 | 105.9 | 174.6 | -16.1 | 0 | 0 | 0 | 0 | 113 | G636 M640 | G636-T638 PolarHBondContact O-N 3.13Å; T638-M640 PolarHBondContact O-N 3.04Å | ||
| 639 | Y | 36.9 | Very low | 37.6 | Very low | 215.333 Ų | 215.333 | 110.6 Ų | 110.6 | 84% | 0.844 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 129.3 | 169.3 | -70.1 | -92.7 | 0 | 0 | 0 | 110.8 | A637 S641 | A637-Y639 HydrophobicContact CB-CE2 4.38Å; A637-Y639 WeakPolarHBondContact O-CD2 3.49Å; A637-Y639 PolarHBondContact O-N 3.03Å; Y639-S641 PolarHBondContact O-N 3.34Å |
| 640 | M | 41.3 | Very low | 38.2 | Very low | 115.333 Ų | 115.333 | 108.5 Ų | 108.5 | 57% | 0.568 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 133.2 | 169.4 | -71.1 | -76.7 | 98.6 | 0 | 0 | 109.2 | T638 T642 L644 I645 M648 | T638-M640 PolarHBondContact O-N 3.04Å; M640-T642 PolarHBondContact O-N 2.04Å; M640-L644 HydrophobicContact CE-CD2 3.69Å; M640-L644 HydrophobicContact SD-CD2 3.53Å; M640-L644 VanDerWaalsContact SD-CD2 3.53Å; M640-L644 HydrophobicContact SD-CG 4.5Å; M640-I645 HydrophobicContact CB-CD1 4.41Å; M640-I645 HydrophobicContact CB-CG1 4.29Å; M640-M648 HydrophobicContact SD-CE 4.36Å |
| 641 | S | 42.8 | Very low | 39 | Very low | 77 Ų | 77 | 104.8 Ų | 104.8 | 54% | 0.538 | 63% | 0.625 | S | S | . | * | P | Polyproline II helix | trans | -73.1 | 148.4 | -180 | -65.6 | 0 | 0 | 0 | 0 | 111.9 | Y639 D643 L644 I645 | Y639-S641 PolarHBondContact O-N 3.34Å; S641-D643 VanDerWaalsContact C-N 3.26Å; S641-D643 WeakPolarHBondContact CB-OD2 3.37Å; S641-D643 PolarHBondContact O-N 3.17Å; S641-D643 PolarHBondContact OG-OD2 3.17Å; S641-L644 WeakPolarHBondContact O-CB 3.46Å; S641-L644 PolarHBondContact O-N 3.25Å; S641-I645 PolarHBondContact O-N 2.83Å |
| 642 | T | 48.1 | Very low | 39.8 | Very low | 101.667 Ų | 101.667 | 99.5 Ų | 99.5 | 62% | 0.624 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -23 | -179 | 41.7 | 0 | 0 | 0 | 0 | 113.7 | M640 L644 I645 A646 | M640-T642 PolarHBondContact O-N 2.04Å; T642-L644 VanDerWaalsContact C-N 3.28Å; T642-L644 PolarHBondContact O-N 3.02Å; T642-I645 PolarHBondContact O-N 2.92Å; T642-A646 WeakPolarHBondContact O-CB 3.23Å; T642-A646 PolarHBondContact O-N 3.15Å; T642-A646 VanDerWaalsContact O-N 3.16Å |
| 643 | D | 46.3 | Very low | 40.5 | Very low | 91.3333 Ų | 91.3333 | 101 Ų | 101 | 49% | 0.488 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -62.5 | -36.2 | -176.5 | -57.3 | -8.1 | 0 | 0 | 0 | 112.6 | S641 I645 A646 E647 | S641-D643 VanDerWaalsContact C-N 3.26Å; S641-D643 WeakPolarHBondContact CB-OD2 3.37Å; S641-D643 PolarHBondContact O-N 3.17Å; S641-D643 PolarHBondContact OG-OD2 3.17Å; D643-I645 VanDerWaalsContact C-N 3.27Å; D643-I645 PolarHBondContact O-N 2.57Å; D643-I645 VanDerWaalsContact O-N 3.13Å; D643-A646 PolarHBondContact O-N 3.33Å; D643-A646 VanDerWaalsContact O-N 3.11Å; D643-E647 WeakPolarHBondContact O-CB 3.17Å; D643-E647 PolarHBondContact O-N 3.19Å |
| 644 | L | 48.5 | Very low | 41 | Very low | 62.6667 Ų | 62.6667 | 100.5 Ų | 100.5 | 33% | 0.328 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.6 | -31.7 | -176.3 | -169.4 | 69.7 | 0 | 0 | 0 | 112.7 | M640 S641 T642 A646 E647 M648 | M640-L644 HydrophobicContact CE-CD2 3.69Å; M640-L644 HydrophobicContact SD-CD2 3.53Å; M640-L644 VanDerWaalsContact SD-CD2 3.53Å; M640-L644 HydrophobicContact SD-CG 4.5Å; S641-L644 WeakPolarHBondContact O-CB 3.46Å; S641-L644 PolarHBondContact O-N 3.25Å; T642-L644 VanDerWaalsContact C-N 3.28Å; T642-L644 PolarHBondContact O-N 3.02Å; L644-A646 VanDerWaalsContact C-N 3.31Å; L644-E647 PolarHBondContact O-N 3.24Å; L644-M648 HydrophobicContact CG-CE 4.46Å; L644-M648 WeakPolarHBondContact O-CE 3.23Å; L644-M648 WeakPolarHBondContact O-CG 3.4Å; L644-M648 PolarHBondContact O-N 3.01Å |
| 645 | I | 48.1 | Very low | 41.4 | Very low | 101 Ų | 101 | 98.5 Ų | 98.5 | 52% | 0.518 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -75.2 | -31 | 177.4 | -62.5 | 174.1 | 0 | 0 | 0 | 110.8 | M640 S641 T642 D643 E647 M648 A649 F658 | M640-I645 HydrophobicContact CB-CD1 4.41Å; M640-I645 HydrophobicContact CB-CG1 4.29Å; S641-I645 PolarHBondContact O-N 2.83Å; T642-I645 PolarHBondContact O-N 2.92Å; D643-I645 VanDerWaalsContact C-N 3.27Å; D643-I645 PolarHBondContact O-N 2.57Å; D643-I645 VanDerWaalsContact O-N 3.13Å; I645-E647 VanDerWaalsContact C-N 3.32Å; I645-E647 PolarHBondContact O-N 3.48Å; I645-M648 HydrophobicContact CG1-CE 4.28Å; I645-A649 WeakPolarHBondContact O-CB 3.36Å; I645-A649 PolarHBondContact O-N 2.81Å; I645-F658 HydrophobicContact CG2-CD2 4.17Å; I645-F658 HydrophobicContact CG2-CE2 4.44Å |
| 646 | A | 45.5 | Very low | 41.6 | Very low | 67.3333 Ų | 67.3333 | 102.2 Ų | 102.2 | 56% | 0.556 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -72.6 | -36.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | T642 D643 L644 A649 S650 | T642-A646 WeakPolarHBondContact O-CB 3.23Å; T642-A646 PolarHBondContact O-N 3.15Å; T642-A646 VanDerWaalsContact O-N 3.16Å; D643-A646 PolarHBondContact O-N 3.33Å; D643-A646 VanDerWaalsContact O-N 3.11Å; L644-A646 VanDerWaalsContact C-N 3.31Å; A646-A649 CarbonylContact O-C 3.59Å; A646-A649 PolarHBondContact O-N 3.23Å; A646-S650 PolarHBondContact O-N 2.79Å; A646-S650 PolarHBondContact O-OG 3.25Å |
| 647 | E | 49.2 | Very low | 41.9 | Very low | 86.3333 Ų | 86.3333 | 104.4 Ų | 104.4 | 40% | 0.403 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.7 | -44.1 | 178.1 | -164.4 | 176 | 172.3 | 0 | 0 | 111.9 | D643 L644 I645 A649 S650 C651 R1186 | D643-E647 WeakPolarHBondContact O-CB 3.17Å; D643-E647 PolarHBondContact O-N 3.19Å; L644-E647 PolarHBondContact O-N 3.24Å; I645-E647 VanDerWaalsContact C-N 3.32Å; I645-E647 PolarHBondContact O-N 3.48Å; E647-A649 PolarHBondContact O-N 3.05Å; E647-S650 PolarHBondContact O-N 3.15Å; E647-S650 PolarHBondContact O-OG 2.99Å; E647-C651 PolarHBondContact O-N 3.01Å; E647-R1186 IonicContact OE1-CZ 3.61Å; E647-R1186 IonicContact OE1-NH1 3.95Å; E647-R1186 PolarHBondContact OE1-NH1 3.14Å |
| 648 | M | 46.3 | Very low | 42.1 | Very low | 82.6667 Ų | 82.6667 | 108.7 Ų | 108.7 | 41% | 0.407 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -61.8 | -22.8 | 174.5 | -70.8 | -167.5 | -63.4 | 0 | 0 | 113.3 | M640 L644 I645 S650 C651 H654 | M640-M648 HydrophobicContact SD-CE 4.36Å; L644-M648 HydrophobicContact CG-CE 4.46Å; L644-M648 WeakPolarHBondContact O-CE 3.23Å; L644-M648 WeakPolarHBondContact O-CG 3.4Å; L644-M648 PolarHBondContact O-N 3.01Å; I645-M648 HydrophobicContact CG1-CE 4.28Å; M648-S650 VanDerWaalsContact C-N 3.28Å; M648-S650 PolarHBondContact O-N 3.06Å; M648-C651 PolarHBondContact O-N 2.93Å; M648-H654 WeakPolarHBondContact O-CB 3.38Å; M648-H654 PolarHBondContact O-CD2 2.96Å; M648-H654 VanDerWaalsContact O-CG 3.27Å |
| 649 | A | 45.9 | Very low | 41.9 | Very low | 70.6667 Ų | 70.6667 | 112.4 Ų | 112.4 | 58% | 0.584 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -3.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | I645 A646 E647 | I645-A649 WeakPolarHBondContact O-CB 3.36Å; I645-A649 PolarHBondContact O-N 2.81Å; A646-A649 CarbonylContact O-C 3.59Å; A646-A649 PolarHBondContact O-N 3.23Å; E647-A649 PolarHBondContact O-N 3.05Å |
| 650 | S | 43 | Very low | 41.6 | Very low | 78.3333 Ų | 78.3333 | 110.3 Ų | 110.3 | 55% | 0.548 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -107.4 | -2.2 | -169.4 | 65.7 | 0 | 0 | 0 | 0 | 115.9 | A646 E647 M648 P652 | A646-S650 PolarHBondContact O-N 2.79Å; A646-S650 PolarHBondContact O-OG 3.25Å; E647-S650 PolarHBondContact O-N 3.15Å; E647-S650 PolarHBondContact O-OG 2.99Å; M648-S650 VanDerWaalsContact C-N 3.28Å; M648-S650 PolarHBondContact O-N 3.06Å; S650-P652 WeakPolarHBondContact O-CD 3.25Å |
| 651 | C | 44.8 | Very low | 41 | Very low | 72.3333 Ų | 72.3333 | 109.8 Ų | 109.8 | 49% | 0.489 | 59% | 0.589 | S | S | . | * | trans | -101.3 | 115.4 | -173.9 | -70.9 | 0 | 0 | 0 | 0 | 114.6 | E647 M648 Q653 | E647-C651 PolarHBondContact O-N 3.01Å; M648-C651 PolarHBondContact O-N 2.93Å; C651-Q653 VanDerWaalsContact C-N 3.34Å; C651-Q653 PolarHBondContact O-N 3.38Å; C651-Q653 VanDerWaalsContact O-N 3.16Å | ||
| 652 | P | 43 | Very low | 40.4 | Very low | 87.3333 Ų | 87.3333 | 112.4 Ų | 112.4 | 57% | 0.567 | 60% | 0.602 | S | S | * | * | trans | -78.7 | 56.2 | 174.2 | 15 | -11.1 | 0 | 0 | 0 | 113.3 | S650 | S650-P652 WeakPolarHBondContact O-CD 3.25Š| ||
| 653 | Q | 42.7 | Very low | 39.6 | Very low | 131.333 Ų | 131.333 | 112.8 Ų | 112.8 | 61% | 0.614 | 61% | 0.609 | S | S | * | * | trans | -141.8 | 89.4 | 173.8 | -66 | -174.7 | 0.4 | 0 | 0 | 114.5 | C651 S655 | C651-Q653 VanDerWaalsContact C-N 3.34Å; C651-Q653 PolarHBondContact O-N 3.38Å; C651-Q653 VanDerWaalsContact O-N 3.16Å; Q653-S655 PolarHBondContact O-N 2.85Å | ||
| 654 | H | 40.7 | Very low | 38.8 | Very low | 140.333 Ų | 140.333 | 113.1 Ų | 113.1 | 65% | 0.65 | 62% | 0.624 | S | S | * | * | trans | -129.4 | 95.4 | 157.5 | -119.5 | -79.3 | 0 | 0 | 0 | 111.4 | M648 Y656 | M648-H654 WeakPolarHBondContact O-CB 3.38Å; M648-H654 PolarHBondContact O-CD2 2.96Å; M648-H654 VanDerWaalsContact O-CG 3.27Å; H654-Y656 PolarHBondContact O-N 2.75Å | ||
| 655 | S | 34.5 | Very low | 38 | Very low | 79 Ų | 79 | 114.7 Ų | 114.7 | 55% | 0.552 | 65% | 0.646 | S | S | * | * | trans | -92 | 90.3 | -173.5 | 23.7 | 0 | 0 | 0 | 0 | 113.5 | Q653 L657 | Q653-S655 PolarHBondContact O-N 2.85Å; S655-L657 VanDerWaalsContact C-N 3.27Å; S655-L657 PolarHBondContact O-N 2.93Å | ||
| 656 | Y | 34.4 | Very low | 37.2 | Very low | 198 Ų | 198 | 115.2 Ų | 115.2 | 78% | 0.776 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -90.7 | 71.6 | 166.4 | -68.9 | -85.3 | 0 | 0 | 0 | 115.5 | H654 F658 S1352 | H654-Y656 PolarHBondContact O-N 2.75Å; Y656-F658 PolarHBondContact O-N 3.24Å; Y656-S1352 PolarHBondContact O-OG 3.39Å |
| 657 | L | 34.5 | Very low | 36.4 | Very low | 128.333 Ų | 128.333 | 120.5 Ų | 120.5 | 67% | 0.672 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.1 | 54.3 | 168.5 | -86.2 | 168.7 | 0 | 0 | 0 | 113.3 | S655 | S655-L657 VanDerWaalsContact C-N 3.27Å; S655-L657 PolarHBondContact O-N 2.93Å |
| 658 | F | 33.4 | Very low | 35.4 | Very low | 172.667 Ų | 172.667 | 122.6 Ų | 122.6 | 76% | 0.757 | 69% | 0.688 | S | S | * | * | trans | -130 | 101 | 179.7 | -94 | -82.9 | 0 | 0 | 0 | 113.5 | I645 Y656 | I645-F658 HydrophobicContact CG2-CD2 4.17Å; I645-F658 HydrophobicContact CG2-CE2 4.44Å; Y656-F658 PolarHBondContact O-N 3.24Å | ||
| 659 | R | 30.1 | Very low | 34.5 | Very low | 202.333 Ų | 202.333 | 124.5 Ų | 124.5 | 76% | 0.764 | 70% | 0.704 | S | S | * | * | trans | -95.5 | 112.2 | 165.7 | -86.6 | -174.7 | 172.1 | -178.6 | -1.1 | 110.9 | ||||
| 660 | Q | 31 | Very low | 33.7 | Very low | 171 Ų | 171 | 128.8 Ų | 128.8 | 80% | 0.799 | 72% | 0.716 | S | S | * | * | trans | -105.6 | 137.8 | 150.4 | -123.5 | 175.7 | -4.7 | 0 | 0 | 109 | T662 | Q660-T662 PolarHBondContact O-N 3.4Š| ||
| 661 | S | 28.3 | Very low | 32.9 | Very low | 105 Ų | 105 | 129 Ų | 129 | 73% | 0.734 | 72% | 0.717 | S | S | * | * | trans | -105.6 | 118.8 | -171 | 47.8 | 0 | 0 | 0 | 0 | 112.1 | S663 | S661-S663 PolarHBondContact O-N 2.7Š| ||
| 662 | T | 30.1 | Very low | 32.2 | Very low | 130.667 Ų | 130.667 | 134.7 Ų | 134.7 | 80% | 0.802 | 73% | 0.734 | S | S | * | * | trans | -111.7 | 114.9 | 169.4 | 44.4 | 0 | 0 | 0 | 0 | 110.5 | Q660 | Q660-T662 PolarHBondContact O-N 3.4Š| ||
| 663 | S | 32.2 | Very low | 31.6 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | trans | -70.7 | 121.4 | 169.1 | 169 | 0 | 0 | 0 | 0 | 114.1 | S661 | S661-S663 PolarHBondContact O-N 2.7Š| ||
| 664 | A | 29.6 | Very low | 30.9 | Very low | 96.6667 Ų | 96.6667 | 137 Ų | 137 | 80% | 0.799 | 75% | 0.751 | S | S | * | * | trans | 33.8 | 120 | 135.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 665 | A | 29.9 | Very low | 30.3 | Very low | 95.6667 Ų | 95.6667 | 136.8 Ų | 136.8 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | -154.5 | 176.9 | 107.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 666 | P | 33.1 | Very low | 30 | Very low | 112.667 Ų | 112.667 | 137.9 Ų | 137.9 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | -124.6 | 172.3 | -107.2 | 38.3 | -22.7 | 0 | 0 | 0 | 115.8 | |||||
| 667 | E | 27.9 | Very low | 29.7 | Very low | 177.333 Ų | 177.333 | 134.9 Ų | 134.9 | 83% | 0.829 | 77% | 0.769 | S | S | * | * | trans | 78.1 | 130.5 | 151.4 | -76.1 | 171.2 | -160.8 | 0 | 0 | 116.2 | ||||
| 668 | T | 29 | Very low | 29.4 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | -177.9 | 161.9 | 80 | 18 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 669 | T | 25.7 | Very low | 29.3 | Very low | 122 Ų | 122 | 129.1 Ų | 129.1 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | -124.4 | 165.5 | -150.9 | 44 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 670 | I | 29.2 | Very low | 29.2 | Very low | 161 Ų | 161 | 124.6 Ų | 124.6 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | trans | 153.6 | 143 | 135.9 | -77.2 | 164 | 0 | 0 | 0 | 111.9 | ||||
| 671 | S | 27.2 | Very low | 29.3 | Very low | 83.3333 Ų | 83.3333 | 122.9 Ų | 122.9 | 58% | 0.583 | 76% | 0.756 | S | S | * | * | trans | -114 | 162.7 | -159.2 | 51.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 672 | F | 28.8 | Very low | 29.5 | Very low | 191 Ų | 191 | 122.3 Ų | 122.3 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | 158.2 | 147.2 | 90.1 | -89.7 | -64.2 | 0 | 0 | 0 | 114.2 | T674 | F672-T674 HydrophobicContact CD1-CG2 4.19Š| |||
| 673 | N | 30.2 | Very low | 29.4 | Very low | 145.333 Ų | 145.333 | 120.5 Ų | 120.5 | 78% | 0.777 | 74% | 0.738 | S | S | * | * | trans | -134.2 | 146.1 | 179.4 | -68.8 | -22.5 | 0 | 0 | 0 | 113.1 | ||||
| 674 | T | 28.2 | Very low | 29.2 | Very low | 123 Ų | 123 | 119.6 Ų | 119.6 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | 161.6 | 150.7 | 121 | 51.1 | 0 | 0 | 0 | 0 | 113.3 | F672 | F672-T674 HydrophobicContact CD1-CG2 4.19Š| |||
| 675 | V | 29.5 | Very low | 29.1 | Very low | 135.333 Ų | 135.333 | 121.3 Ų | 121.3 | 82% | 0.82 | 72% | 0.723 | S | S | * | * | trans | 120.8 | 135 | 135.8 | 168.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 676 | S | 26.6 | Very low | 29 | Very low | 102.333 Ų | 102.333 | 121.9 Ų | 121.9 | 72% | 0.716 | 72% | 0.716 | S | S | * | * | trans | 133.9 | 151.5 | 161 | -61.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 677 | V | 29.1 | Very low | 28.8 | Very low | 135.333 Ų | 135.333 | 121.4 Ų | 121.4 | 82% | 0.82 | 71% | 0.711 | S | S | * | * | trans | 98.8 | 146.6 | 153 | 165.6 | 0 | 0 | 0 | 0 | 115.2 | E347 | E347-V677 HydrophobicContact CG-CG1 3.79Š| ||
| 678 | G | 28.3 | Very low | 28.8 | Very low | 60.6667 Ų | 60.6667 | 117 Ų | 117 | 63% | 0.625 | 71% | 0.705 | S | S | * | * | trans | 137.5 | 149.6 | 149.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 679 | T | 30.6 | Very low | 28.6 | Very low | 119.333 Ų | 119.333 | 119 Ų | 119 | 73% | 0.732 | 71% | 0.708 | S | S | * | * | trans | -136.3 | 143.8 | 159.6 | 29.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 680 | T | 29.2 | Very low | 28.7 | Very low | 107 Ų | 107 | 118.2 Ų | 118.2 | 66% | 0.656 | 71% | 0.707 | S | S | * | * | -168.4 | 153.2 | 116.3 | 43.4 | 0 | 0 | 0 | 0 | 113.9 | H344 | H344-T680 WeakPolarHBondContact NE2-CG2 3.28Š| |||
| 681 | L | 31.7 | Very low | 28.7 | Very low | 135 Ų | 135 | 117.3 Ų | 117.3 | 71% | 0.707 | 70% | 0.702 | S | S | * | * | 42.1 | 145.6 | 85.4 | -103.8 | 77 | 0 | 0 | 0 | 114.5 | R631 T683 | R631-L681 PolarHBondContact NH2-O 3.34Å; L681-T683 HydrophobicContact CD2-CG2 4.43Å | |||
| 682 | P | 33.5 | Very low | 28.8 | Very low | 93.6667 Ų | 93.6667 | 119.4 Ų | 119.4 | 61% | 0.608 | 71% | 0.711 | S | S | * | * | cis | -143.4 | -178.2 | 18.1 | 37.7 | -18.3 | 0 | 0 | 0 | 118.3 | E630 R631 | E630-P682 HydrophobicContact CG-CG 4.07Å; E630-P682 WeakPolarHBondContact OE1-CD 3.48Å; E630-P682 WeakPolarHBondContact OE1-CG 3.01Å; R631-P682 HydrophobicContact CB-CG 3.8Å; R631-P682 HydrophobicContact CG-CG 3.88Å | ||
| 683 | T | 28.7 | Very low | 28.8 | Very low | 91.6667 Ų | 91.6667 | 115.5 Ų | 115.5 | 56% | 0.562 | 70% | 0.703 | S | S | * | * | trans | 34.3 | 164.5 | 169.5 | 56.2 | 0 | 0 | 0 | 0 | 120.5 | L628 T629 E630 L681 | L628-T683 HydrophobicContact CB-CG2 3.5Å; L628-T683 VanDerWaalsContact CB-CG2 3.5Å; L628-T683 HydrophobicContact CD1-CG2 4.19Å; L628-T683 HydrophobicContact CD2-CG2 3.55Å; L628-T683 HydrophobicContact CG-CG2 3.88Å; T629-T683 PolarHBondContact O-OG1 2.04Å; E630-T683 WeakPolarHBondContact CA-OG1 3.07Å; E630-T683 VanDerWaalsContact CG-O 3.27Å; E630-T683 WeakPolarHBondContact CG-O 3.4Å; E630-T683 PolarHBondContact N-OG1 3.36Å; L681-T683 HydrophobicContact CD2-CG2 4.43Å | ||
| 684 | C | 26 | Very low | 28.9 | Very low | 93 Ų | 93 | 114.4 Ų | 114.4 | 63% | 0.628 | 70% | 0.702 | S | S | * | * | trans | 141.4 | 148.3 | 151.9 | -85.3 | 0 | 0 | 0 | 0 | 115.5 | L628 E630 | L628-C684 VanDerWaalsContact CB-C 3.45Å; L628-C684 VanDerWaalsContact CB-O 3.31Å; L628-C684 WeakPolarHBondContact CB-O 3.18Å; L628-C684 PolarHBondContact O-SG 3.43Å; L628-C684 VanDerWaalsContact O-SG 3.38Å; E630-C684 HydrophobicContact CG-CB 4.29Å; E630-C684 PolarHBondContact N-SG 2.88Å | ||
| 685 | E | 28.5 | Very low | 29 | Very low | 132.333 Ų | 132.333 | 114.1 Ų | 114.1 | 62% | 0.618 | 70% | 0.7 | S | S | * | * | -141.6 | -172.3 | 101.5 | -133 | -169.3 | 129.1 | 0 | 0 | 114.3 | T626 V627 L628 | T626-E685 VanDerWaalsContact C-CD 3.48Å; V627-E685 VanDerWaalsContact C-CD 3.48Å; V627-E685 VanDerWaalsContact CA-OE2 3.26Å; V627-E685 WeakPolarHBondContact CA-OE2 3.35Å; V627-E685 PolarHBondContact N-OE1 3.43Å; V627-E685 PolarHBondContact N-OE2 3.06Å; L628-E685 HydrophobicContact CB-CB 4.39Å; L628-E685 PolarHBondContact N-OE2 3.47Å; L628-E685 WeakPolarHBondContact O-CB 3.1Å | |||
| 686 | V | 27.6 | Very low | 29 | Very low | 107.667 Ų | 107.667 | 113.5 Ų | 113.5 | 65% | 0.653 | 70% | 0.697 | S | S | * | * | trans | 108.2 | 150.1 | 166.5 | -156.4 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 687 | T | 28.5 | Very low | 29.1 | Very low | 101.333 Ų | 101.333 | 114.2 Ų | 114.2 | 62% | 0.622 | 70% | 0.697 | S | S | * | * | trans | -89.5 | 177.3 | 139.9 | -19.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 688 | A | 28.2 | Very low | 29.1 | Very low | 86 Ų | 86 | 113.6 Ų | 113.6 | 71% | 0.711 | 69% | 0.694 | S | S | * | * | trans | -155.7 | 168.5 | -148.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 689 | M | 26 | Very low | 29.1 | Very low | 173.667 Ų | 173.667 | 115.5 Ų | 115.5 | 86% | 0.856 | 70% | 0.697 | S | S | * | * | trans | -161.1 | 161.3 | 147.8 | -63.7 | -172.8 | 102.1 | 0 | 0 | 112.5 | ||||
| 690 | S | 27.5 | Very low | 28.9 | Very low | 103.667 Ų | 103.667 | 121 Ų | 121 | 73% | 0.725 | 71% | 0.705 | S | S | * | * | cis | 111.9 | 170.2 | 45.3 | -157.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 691 | I | 27.9 | Very low | 28.8 | Very low | 142.667 Ų | 142.667 | 120.2 Ų | 120.2 | 73% | 0.732 | 70% | 0.704 | S | S | * | * | trans | 77.6 | 152.1 | 158.3 | -8.3 | 177.6 | 0 | 0 | 0 | 113.4 | T693 | I691-T693 HydrophobicContact CG2-CG2 3.9Š| ||
| 692 | V | 29.9 | Very low | 28.7 | Very low | 128 Ų | 128 | 119.5 Ų | 119.5 | 78% | 0.776 | 71% | 0.705 | S | S | * | * | cis | -155.6 | 140.9 | 48.1 | 175.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 693 | T | 29.7 | Very low | 28.6 | Very low | 109 Ų | 109 | 120.1 Ų | 120.1 | 67% | 0.669 | 71% | 0.707 | S | S | * | * | trans | -101.7 | 160.6 | -157.8 | 43.9 | 0 | 0 | 0 | 0 | 112.4 | I691 | I691-T693 HydrophobicContact CG2-CG2 3.9Š| ||
| 694 | T | 30.6 | Very low | 28.6 | Very low | 121.667 Ų | 121.667 | 120.5 Ų | 120.5 | 75% | 0.746 | 71% | 0.713 | S | S | * | * | 176.3 | 136.2 | 116.3 | 8.8 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 695 | T | 30.8 | Very low | 28.9 | Very low | 117.333 Ų | 117.333 | 125.8 Ų | 125.8 | 72% | 0.72 | 72% | 0.721 | S | S | * | * | -109.1 | 143.5 | 129.7 | 35.8 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 696 | T | 29.2 | Very low | 29 | Very low | 122.667 Ų | 122.667 | 125 Ų | 125 | 75% | 0.753 | 73% | 0.726 | S | S | * | * | -178 | 168.6 | 112.4 | 38.9 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 697 | T | 28.7 | Very low | 29.2 | Very low | 117.333 Ų | 117.333 | 126.5 Ų | 126.5 | 72% | 0.72 | 74% | 0.736 | S | S | * | * | cis | -149.9 | 161.3 | 26.4 | 11.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 698 | T | 29.1 | Very low | 29.4 | Very low | 122.667 Ų | 122.667 | 124.8 Ų | 124.8 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | trans | -147.6 | 144.1 | 134.8 | 19.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 699 | S | 28.1 | Very low | 29.4 | Very low | 100.333 Ų | 100.333 | 129.2 Ų | 129.2 | 70% | 0.702 | 75% | 0.748 | S | S | * | * | 39.3 | 143.8 | 112.1 | 60.1 | 0 | 0 | 0 | 0 | 118 | |||||
| 700 | R | 28.2 | Very low | 29.6 | Very low | 234 Ų | 234 | 125 Ų | 125 | 88% | 0.883 | 74% | 0.742 | S | S | * | * | 83.6 | 150.3 | 99.3 | -112.2 | 177.2 | 164.5 | 169.3 | -5.4 | 116.1 | |||||
| 701 | S | 27.1 | Very low | 29.8 | Very low | 91 Ų | 91 | 126.5 Ų | 126.5 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | cis | -142.6 | 165.9 | -19.6 | 42.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 702 | V | 29.6 | Very low | 29.8 | Very low | 120.667 Ų | 120.667 | 128.5 Ų | 128.5 | 73% | 0.731 | 75% | 0.752 | S | S | * | * | 155.6 | 123.8 | 108.6 | 170.3 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 703 | T | 29.9 | Very low | 29.8 | Very low | 105 Ų | 105 | 127.6 Ų | 127.6 | 64% | 0.644 | 75% | 0.751 | S | S | * | * | trans | 39 | 122.1 | 139.8 | 57.2 | 0 | 0 | 0 | 0 | 121.3 | Y705 | T703-Y705 HydrophobicContact CG2-CE2 4.2Š| ||
| 704 | S | 29.6 | Very low | 29.8 | Very low | 100 Ų | 100 | 127.8 Ų | 127.8 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | 68.3 | 135.8 | 110.1 | 51.7 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 705 | Y | 31.4 | Very low | 29.8 | Very low | 204.333 Ų | 204.333 | 127.6 Ų | 127.6 | 80% | 0.801 | 76% | 0.756 | S | S | * | * | -163.8 | 143.4 | 87.3 | -83.6 | -71.1 | 0 | 0 | 0 | 113.8 | T703 | T703-Y705 HydrophobicContact CG2-CE2 4.2Š| |||
| 706 | T | 30.8 | Very low | 29.8 | Very low | 116.333 Ų | 116.333 | 127.8 Ų | 127.8 | 71% | 0.714 | 76% | 0.758 | S | S | * | * | trans | -86.1 | 155.3 | 164.5 | 42.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 707 | T | 32.6 | Very low | 29.8 | Very low | 139.667 Ų | 139.667 | 126.6 Ų | 126.6 | 86% | 0.857 | 75% | 0.754 | S | S | * | * | trans | 159.4 | 155.5 | 130.2 | 31 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 708 | G | 31.6 | Very low | 29.8 | Very low | 65 Ų | 65 | 126 Ų | 126 | 67% | 0.67 | 75% | 0.754 | S | S | * | * | cis | 154.3 | 112.1 | -5.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 709 | L | 28.6 | Very low | 29.7 | Very low | 178 Ų | 178 | 125.8 Ų | 125.8 | 93% | 0.932 | 75% | 0.753 | S | S | * | * | trans | 52 | 144.6 | 133.6 | -73.6 | 166.2 | 0 | 0 | 0 | 116.7 | ||||
| 710 | A | 30.2 | Very low | 29.8 | Very low | 86.3333 Ų | 86.3333 | 129.2 Ų | 129.2 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | trans | 173.8 | 150.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 711 | V | 31.2 | Very low | 29.7 | Very low | 134 Ų | 134 | 123.6 Ų | 123.6 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | cis | 99.8 | 122 | 6.4 | 168.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 712 | E | 28 | Very low | 29.7 | Very low | 185.667 Ų | 185.667 | 126.5 Ų | 126.5 | 87% | 0.868 | 76% | 0.757 | S | S | * | * | trans | -128.3 | 168.7 | 157.4 | -116.9 | 147.5 | -113.3 | 0 | 0 | 113.9 | ||||
| 713 | S | 29.9 | Very low | 29.7 | Very low | 108 Ų | 108 | 126.3 Ų | 126.3 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | trans | -145.9 | 163 | -137.6 | 59.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 714 | S | 30.2 | Very low | 29.5 | Very low | 113.667 Ų | 113.667 | 129.7 Ų | 129.7 | 80% | 0.795 | 76% | 0.764 | S | S | * | * | trans | 171.1 | 155.2 | 169.8 | 60.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 715 | T | 31 | Very low | 29.6 | Very low | 117.333 Ų | 117.333 | 130.5 Ų | 130.5 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | cis | -137.3 | 161.1 | -20.9 | 26.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 716 | T | 30.6 | Very low | 29.6 | Very low | 122.667 Ų | 122.667 | 127.5 Ų | 127.5 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | trans | 164.4 | 150.6 | 169.9 | 37.6 | 0 | 0 | 0 | 0 | 117.4 | D940 | T716-D940 VanDerWaalsContact C-CG 3.49Å; T716-D940 VanDerWaalsContact C-OD1 3.3Å; T716-D940 VanDerWaalsContact CA-OD1 3.26Å; T716-D940 WeakPolarHBondContact CA-OD1 3.36Å; T716-D940 VanDerWaalsContact CA-OD2 3.25Å; T716-D940 WeakPolarHBondContact CA-OD2 3.35Å; T716-D940 PolarHBondContact N-OD2 2.86Å | ||
| 717 | S | 28.5 | Very low | 29.8 | Very low | 97 Ų | 97 | 129.6 Ų | 129.6 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | trans | 68.8 | 159.6 | 163.1 | 70.3 | 0 | 0 | 0 | 0 | 116.5 | D940 | S717-D940 PolarHBondContact N-OD1 3.01Å; S717-D940 PolarHBondContact N-OD2 2.9Å | ||
| 718 | S | 29.2 | Very low | 29.7 | Very low | 103.667 Ų | 103.667 | 128.8 Ų | 128.8 | 73% | 0.725 | 75% | 0.753 | S | S | * | * | cis | -175.1 | 174.2 | 20.2 | 40.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 719 | V | 27.8 | Very low | 29.6 | Very low | 118.667 Ų | 118.667 | 132.6 Ų | 132.6 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | trans | -179.2 | 157.6 | -166.7 | 157 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 720 | Q | 29.6 | Very low | 29.6 | Very low | 172.333 Ų | 172.333 | 127.9 Ų | 127.9 | 81% | 0.805 | 74% | 0.744 | S | S | * | * | trans | 74 | 129.2 | 168.4 | -81 | 156.4 | -16.5 | 0 | 0 | 118.6 | ||||
| 721 | T | 26.9 | Very low | 29.6 | Very low | 116.333 Ų | 116.333 | 131.3 Ų | 131.3 | 71% | 0.714 | 75% | 0.749 | S | S | * | * | cis | 119.9 | 148.9 | 21.6 | -27.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 722 | I | 27.4 | Very low | 29.6 | Very low | 152.333 Ų | 152.333 | 128.9 Ų | 128.9 | 78% | 0.781 | 74% | 0.738 | S | S | * | * | trans | 81 | 123.6 | 166.5 | -56.5 | 157.7 | 0 | 0 | 0 | 115.5 | ||||
| 723 | V | 28 | Very low | 29.7 | Very low | 116.667 Ų | 116.667 | 126.4 Ų | 126.4 | 71% | 0.707 | 73% | 0.731 | S | S | * | * | 99.5 | 115.4 | 89.6 | 173.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 724 | E | 26.6 | Very low | 29.7 | Very low | 175 Ų | 175 | 128.8 Ų | 128.8 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | 154.5 | 158.3 | 99.3 | -136.9 | 175.1 | 169.7 | 0 | 0 | 112.8 | |||||
| 725 | V | 31.1 | Very low | 29.7 | Very low | 117.667 Ų | 117.667 | 128.2 Ų | 128.2 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | trans | 85.2 | 108.2 | 131.6 | -171.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 726 | D | 32.9 | Very low | 29.7 | Very low | 140.667 Ų | 140.667 | 126.8 Ų | 126.8 | 75% | 0.752 | 72% | 0.721 | S | S | * | * | 22.5 | 170.6 | 97.2 | -99.8 | -34.2 | 0 | 0 | 0 | 120.7 | |||||
| 727 | E | 33.4 | Very low | 29.7 | Very low | 161 Ų | 161 | 127.7 Ų | 127.7 | 75% | 0.752 | 72% | 0.72 | S | S | * | * | 90.9 | 149.1 | 117.1 | -77.4 | -158.9 | 114.6 | 0 | 0 | 117.2 | |||||
| 728 | L | 30.3 | Very low | 29.8 | Very low | 122.333 Ų | 122.333 | 131.1 Ų | 131.1 | 64% | 0.64 | 72% | 0.723 | S | S | * | * | cis | 167.1 | 159.1 | 19.9 | -98 | 177.3 | 0 | 0 | 0 | 113.2 | ||||
| 729 | I | 30.3 | Very low | 29.9 | Very low | 145.333 Ų | 145.333 | 133.1 Ų | 133.1 | 75% | 0.745 | 72% | 0.724 | S | S | * | * | 105.9 | 146.3 | 116.1 | -96.6 | 163.5 | 0 | 0 | 0 | 115.7 | |||||
| 730 | A | 28.6 | Very low | 30.1 | Very low | 79.6667 Ų | 79.6667 | 133.6 Ų | 133.6 | 66% | 0.658 | 72% | 0.723 | S | S | * | * | trans | -62.3 | 147.3 | 160.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 731 | L | 31.1 | Very low | 30.2 | Very low | 157.667 Ų | 157.667 | 131.1 Ų | 131.1 | 83% | 0.825 | 72% | 0.719 | S | S | * | * | 173.4 | 142.7 | 108.4 | -84.1 | 168.5 | 0 | 0 | 0 | 114.1 | |||||
| 732 | S | 29.7 | Very low | 30.5 | Very low | 82.6667 Ų | 82.6667 | 129.1 Ų | 129.1 | 58% | 0.578 | 72% | 0.722 | S | S | * | * | 85.5 | 140.4 | 85.1 | 75.7 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 733 | N | 30.1 | Very low | 30.8 | Very low | 133.333 Ų | 133.333 | 130.8 Ų | 130.8 | 71% | 0.713 | 72% | 0.724 | S | S | * | * | 97 | 161.5 | 116.4 | -86.6 | 20.5 | 0 | 0 | 0 | 116.1 | |||||
| 734 | E | 30.6 | Very low | 31 | Very low | 159 Ų | 159 | 135 Ų | 135 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | cis | 155.2 | 141.2 | -6.1 | -124.1 | 175.8 | 166.4 | 0 | 0 | 113.1 | ||||
| 735 | S | 30.3 | Very low | 31.2 | Very low | 101.333 Ų | 101.333 | 132.6 Ų | 132.6 | 71% | 0.709 | 74% | 0.735 | S | S | * | * | trans | 97.9 | 165.8 | 133.2 | 79.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 736 | S | 30.7 | Very low | 31.3 | Very low | 88 Ų | 88 | 130.2 Ų | 130.2 | 62% | 0.615 | 74% | 0.735 | S | S | * | * | trans | 85.3 | 144.5 | 150.9 | 78.7 | 0 | 0 | 0 | 0 | 115.4 | K738 | S736-K738 PolarHBondContact OG-NZ 2.79Å; S736-K738 VanDerWaalsContact OG-NZ 3.12Å | ||
| 737 | I | 31.3 | Very low | 31.2 | Very low | 142 Ų | 142 | 130.9 Ų | 130.9 | 73% | 0.728 | 73% | 0.733 | S | S | * | * | 120.4 | 135.4 | 96 | -83.9 | 163.4 | 0 | 0 | 0 | 110.1 | |||||
| 738 | K | 31 | Very low | 31.1 | Very low | 168 Ų | 168 | 131.6 Ų | 131.6 | 73% | 0.73 | 73% | 0.734 | S | S | * | * | 106.4 | 142.3 | 60.4 | -83.4 | 159.7 | -164.1 | 165.8 | 0 | 110.7 | S736 | S736-K738 PolarHBondContact OG-NZ 2.79Å; S736-K738 VanDerWaalsContact OG-NZ 3.12Å | |||
| 739 | L | 30 | Very low | 31.2 | Very low | 146 Ų | 146 | 130.3 Ų | 130.3 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | cis | -178.4 | 179.6 | 15.3 | -128.9 | 67.1 | 0 | 0 | 0 | 112.3 | ||||
| 740 | N | 32.3 | Very low | 31.4 | Very low | 128.333 Ų | 128.333 | 131.3 Ų | 131.3 | 69% | 0.686 | 73% | 0.734 | S | S | * | * | cis | -153.1 | 162.9 | 25.6 | -126.1 | -5.8 | 0 | 0 | 0 | 116.1 | ||||
| 741 | T | 31.3 | Very low | 31.8 | Very low | 119.667 Ų | 119.667 | 132.7 Ų | 132.7 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | trans | -132.2 | 154.1 | 170.5 | 42.5 | 0 | 0 | 0 | 0 | 116.3 | K743 | T741-K743 WeakPolarHBondContact O-CE 3.39Å; T741-K743 PolarHBondContact O-NZ 3.14Å; T741-K743 WeakPolarHBondContact OG1-CE 3.46Å; T741-K743 PolarHBondContact OG1-NZ 3.48Å | ||
| 742 | G | 34 | Very low | 32.1 | Very low | 74.6667 Ų | 74.6667 | 131.8 Ų | 131.8 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | trans | 171.3 | 119 | 161.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 743 | K | 32.5 | Very low | 32.4 | Very low | 188.667 Ų | 188.667 | 135 Ų | 135 | 82% | 0.82 | 73% | 0.734 | S | S | * | * | -153.9 | 135.5 | 57.9 | -85.5 | 169.7 | -174.6 | 164.9 | 0 | 111.4 | T741 | T741-K743 WeakPolarHBondContact O-CE 3.39Å; T741-K743 PolarHBondContact O-NZ 3.14Å; T741-K743 WeakPolarHBondContact OG1-CE 3.46Å; T741-K743 PolarHBondContact OG1-NZ 3.48Å | |||
| 744 | K | 33.8 | Very low | 32.7 | Very low | 203.333 Ų | 203.333 | 133.3 Ų | 133.3 | 88% | 0.884 | 73% | 0.725 | S | S | * | * | 161.9 | 166.2 | 122.4 | -67.8 | 168.6 | -179.6 | -179.8 | 0 | 112.2 | |||||
| 745 | S | 29.2 | Very low | 32.9 | Very low | 124.333 Ų | 124.333 | 133.2 Ų | 133.2 | 87% | 0.869 | 72% | 0.722 | S | S | * | * | cis | 143.8 | 131.6 | -31 | -171.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 746 | G | 33.2 | Very low | 33 | Very low | 69 Ų | 69 | 134.9 Ų | 134.9 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | trans | 115 | 146.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 747 | H | 31.5 | Very low | 33.3 | Very low | 155.333 Ų | 155.333 | 135.3 Ų | 135.3 | 72% | 0.719 | 73% | 0.725 | S | S | * | * | cis | 163.4 | 156.2 | -5 | -150.4 | -91.3 | 0 | 0 | 0 | 111.8 | ||||
| 748 | F | 31.2 | Very low | 33.6 | Very low | 175.667 Ų | 175.667 | 135.4 Ų | 135.4 | 77% | 0.77 | 73% | 0.726 | S | S | * | * | trans | 65 | 130.4 | 169.9 | -64.7 | -58.4 | 0 | 0 | 0 | 120.5 | ||||
| 749 | S | 33 | Very low | 33.8 | Very low | 95.3333 Ų | 95.3333 | 134.5 Ų | 134.5 | 67% | 0.667 | 73% | 0.73 | S | S | * | * | cis | 135.5 | 164.7 | 24.9 | -83.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 750 | K | 35.1 | Very low | 34.2 | Very low | 164.333 Ų | 164.333 | 130.3 Ų | 130.3 | 71% | 0.714 | 72% | 0.722 | S | S | * | * | cis | 161.9 | 160.9 | 8.6 | -101.2 | -179.4 | 150.8 | -78.9 | 0 | 110.8 | ||||
| 751 | D | 36.9 | Very low | 34.3 | Very low | 110 Ų | 110 | 130 Ų | 130 | 59% | 0.588 | 72% | 0.72 | S | S | * | * | cis | -174.4 | 176.2 | 8.2 | -85 | -25.1 | 0 | 0 | 0 | 112.4 | ||||
| 752 | N | 36.2 | Very low | 34.4 | Very low | 139 Ų | 139 | 131.9 Ų | 131.9 | 74% | 0.743 | 72% | 0.718 | S | S | * | * | cis | -169.9 | 167.7 | 21.5 | -115.2 | -14 | 0 | 0 | 0 | 116.5 | ||||
| 753 | M | 35.8 | Very low | 34.2 | Very low | 149 Ų | 149 | 138.9 Ų | 138.9 | 73% | 0.734 | 72% | 0.721 | S | S | * | * | trans | -112.4 | -169.6 | -175.9 | -67.9 | -148.4 | 69 | 0 | 0 | 112.2 | ||||
| 754 | D | 37 | Very low | 34 | Very low | 98.6667 Ų | 98.6667 | 135 Ų | 135 | 53% | 0.528 | 72% | 0.716 | S | S | . | * | cis | -168.1 | 160.3 | 15.5 | -147.4 | 3.7 | 0 | 0 | 0 | 112.8 | ||||
| 755 | K | 34.9 | Very low | 33.8 | Very low | 156 Ų | 156 | 132.4 Ų | 132.4 | 68% | 0.678 | 71% | 0.711 | S | S | * | * | trans | 87.7 | 167.7 | 134.7 | -95.9 | 163.7 | -167.5 | 91.5 | 0 | 118.9 | ||||
| 756 | L | 32.7 | Very low | 33.8 | Very low | 138.333 Ų | 138.333 | 132.3 Ų | 132.3 | 72% | 0.724 | 70% | 0.701 | S | S | * | * | cis | -129.5 | 178.4 | -24 | -128.3 | 46.5 | 0 | 0 | 0 | 113.1 | ||||
| 757 | C | 36.2 | Very low | 33.6 | Very low | 96.6667 Ų | 96.6667 | 136.7 Ų | 136.7 | 65% | 0.653 | 70% | 0.701 | S | S | * | * | cis | 173.4 | 165.4 | 44 | -121.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 758 | D | 37.7 | Very low | 33.7 | Very low | 142.333 Ų | 142.333 | 137.4 Ų | 137.4 | 76% | 0.761 | 70% | 0.704 | S | S | * | * | trans | -146.7 | 154.4 | -172.4 | -64.4 | -35.4 | 0 | 0 | 0 | 114.3 | ||||
| 759 | D | 36.2 | Very low | 33.7 | Very low | 150.667 Ų | 150.667 | 137.5 Ų | 137.5 | 81% | 0.806 | 71% | 0.706 | S | S | * | * | cis | 163 | 155.8 | 7.4 | 178.9 | 47.1 | 0 | 0 | 0 | 109.7 | ||||
| 760 | G | 37.8 | Very low | 33.8 | Very low | 57.3333 Ų | 57.3333 | 138.1 Ų | 138.1 | 59% | 0.591 | 71% | 0.708 | S | S | * | * | 127.4 | 152.5 | 128.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 761 | N | 34.8 | Very low | 33.4 | Very low | 122 Ų | 122 | 134.9 Ų | 134.9 | 65% | 0.652 | 71% | 0.706 | S | S | * | * | 99.1 | 121.3 | 105.8 | -129 | -29.8 | 0 | 0 | 0 | 119.7 | |||||
| 762 | K | 32.6 | Very low | 33.1 | Very low | 159.333 Ų | 159.333 | 135.4 Ų | 135.4 | 69% | 0.693 | 71% | 0.714 | S | S | * | * | 98.6 | 130.6 | 129.8 | -82.9 | 167.8 | -171.2 | 116.2 | 0 | 121.1 | |||||
| 763 | R | 29 | Very low | 32.7 | Very low | 222.333 Ų | 222.333 | 133.2 Ų | 133.2 | 84% | 0.839 | 71% | 0.709 | S | S | * | * | trans | 71.2 | 143.8 | 142.3 | -68.4 | 178.9 | 178.9 | 179.4 | -1.1 | 118 | ||||
| 764 | C | 28.7 | Very low | 32.4 | Very low | 105.333 Ų | 105.333 | 133.9 Ų | 133.9 | 71% | 0.712 | 71% | 0.711 | S | S | * | * | cis | 152.5 | 145.1 | 2.7 | -95.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 765 | L | 30 | Very low | 32 | Very low | 150.333 Ų | 150.333 | 137.9 Ų | 137.9 | 79% | 0.787 | 72% | 0.723 | S | S | * | * | trans | 97.9 | 125.2 | 149.6 | -69.2 | 165.8 | 0 | 0 | 0 | 116.3 | ||||
| 766 | D | 29 | Very low | 31.6 | Very low | 120.667 Ų | 120.667 | 135.5 Ų | 135.5 | 65% | 0.645 | 73% | 0.727 | S | S | * | * | 76 | 155.6 | 98.1 | -89 | 3.6 | 0 | 0 | 0 | 118.4 | |||||
| 767 | K | 29.9 | Very low | 31.3 | Very low | 162.333 Ų | 162.333 | 134.2 Ų | 134.2 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | 103.3 | 145.4 | 118.2 | -86 | 160.1 | -171.5 | -155.5 | 0 | 116.4 | |||||
| 768 | E | 32.2 | Very low | 31.3 | Very low | 169.333 Ų | 169.333 | 135.4 Ų | 135.4 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | -177.8 | 155.7 | 60.7 | -106.1 | 148.7 | -160.6 | 0 | 0 | 115.6 | |||||
| 769 | H | 31.4 | Very low | 30.9 | Very low | 177.667 Ų | 177.667 | 136 Ų | 136 | 82% | 0.823 | 74% | 0.738 | S | S | * | * | trans | -79.5 | 177.8 | 167.4 | -90.2 | -58.8 | 0 | 0 | 0 | 111.3 | ||||
| 770 | P | 35.1 | Very low | 31.1 | Very low | 108 Ų | 108 | 133.6 Ų | 133.6 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | cis | -140.5 | -167.2 | 6.4 | 36.5 | -14.4 | 0 | 0 | 0 | 115.1 | ||||
| 771 | S | 28 | Very low | 31 | Very low | 96.6667 Ų | 96.6667 | 136.8 Ų | 136.8 | 68% | 0.676 | 74% | 0.74 | S | S | * | * | trans | 15.5 | 159.3 | 156.8 | 69.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 772 | T | 29.1 | Very low | 30.7 | Very low | 121 Ų | 121 | 140.3 Ų | 140.3 | 74% | 0.742 | 75% | 0.75 | S | S | * | * | 169 | 126.5 | 80 | 24.6 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 773 | S | 27.8 | Very low | 30.7 | Very low | 93.3333 Ų | 93.3333 | 144.2 Ų | 144.2 | 65% | 0.653 | 76% | 0.76 | S | S | * | * | 72.3 | 127 | 110.1 | 87 | 0 | 0 | 0 | 0 | 120 | |||||
| 774 | Q | 30.1 | Very low | 30.7 | Very low | 163 Ų | 163 | 138.4 Ų | 138.4 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | trans | 96.4 | 147.4 | 152.3 | -76.6 | 177.9 | 56.5 | 0 | 0 | 113.2 | ||||
| 775 | K | 28.2 | Very low | 30.8 | Very low | 182.333 Ų | 182.333 | 139.9 Ų | 139.9 | 79% | 0.793 | 76% | 0.759 | S | S | * | * | cis | 172.1 | 150.9 | 16.1 | -112.6 | 174.1 | -175.8 | 159.8 | 0 | 109.8 | ||||
| 776 | S | 27.3 | Very low | 30.7 | Very low | 107.333 Ų | 107.333 | 137.5 Ų | 137.5 | 75% | 0.751 | 76% | 0.755 | S | S | * | * | 142.5 | 148.6 | 114 | -169.5 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 777 | C | 26.7 | Very low | 30.8 | Very low | 109.333 Ų | 109.333 | 139.9 Ų | 139.9 | 74% | 0.739 | 77% | 0.767 | S | S | * | * | trans | -129.1 | 165.6 | 163.9 | -58 | 0 | 0 | 0 | 0 | 111 | ||||
| 778 | P | 35 | Very low | 30.7 | Very low | 123.667 Ų | 123.667 | 136.5 Ų | 136.5 | 80% | 0.803 | 77% | 0.769 | S | S | * | * | -113.3 | 167.1 | 67.8 | 26.6 | -14.9 | 0 | 0 | 0 | 113.6 | |||||
| 779 | N | 30.5 | Very low | 30.6 | Very low | 155 Ų | 155 | 133.3 Ų | 133.3 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | trans | -69.8 | 154.7 | 141.6 | -88.3 | -28.7 | 0 | 0 | 0 | 114.1 | ||||
| 780 | P | 39.9 | Very low | 30.5 | Very low | 99.3333 Ų | 99.3333 | 133.1 Ų | 133.1 | 65% | 0.645 | 76% | 0.762 | S | S | * | * | trans | -111.2 | -178.4 | -146.6 | 38 | -27.8 | 0 | 0 | 0 | 113.6 | ||||
| 781 | P | 35.3 | Very low | 30.2 | Very low | 124.333 Ų | 124.333 | 136.1 Ų | 136.1 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | trans | -100.4 | 150.4 | 143.8 | 35.2 | -31.1 | 0 | 0 | 0 | 113.2 | ||||
| 782 | K | 28.5 | Very low | 30.2 | Very low | 195 Ų | 195 | 135.7 Ų | 135.7 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | trans | -150.1 | 133.8 | 145.1 | -67.9 | 178 | 179.9 | 176.8 | 0 | 112.1 | ||||
| 783 | R | 32.7 | Very low | 30.3 | Very low | 241.667 Ų | 241.667 | 137.2 Ų | 137.2 | 91% | 0.912 | 76% | 0.762 | S | S | * | * | trans | -170.4 | 138.9 | 150.6 | -99.9 | 178.8 | 177.6 | 169.7 | -1.9 | 110.3 | ||||
| 784 | S | 29.1 | Very low | 30.3 | Very low | 100 Ų | 100 | 142 Ų | 142 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | -85 | 146.1 | 82.9 | 35.7 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 785 | V | 31.3 | Very low | 30.3 | Very low | 137 Ų | 137 | 141 Ų | 141 | 83% | 0.83 | 77% | 0.766 | S | S | * | * | -157.1 | 122.4 | 64.3 | 174.7 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 786 | S | 28.7 | Very low | 30.5 | Very low | 100 Ų | 100 | 136.3 Ų | 136.3 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | trans | -177.1 | 133.5 | 130.2 | 61.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 787 | L | 29.8 | Very low | 30.8 | Very low | 171.667 Ų | 171.667 | 138.5 Ų | 138.5 | 90% | 0.899 | 77% | 0.765 | S | S | * | * | trans | -150.6 | 113.7 | 153.5 | -74.3 | 142.1 | 0 | 0 | 0 | 110.9 | ||||
| 788 | A | 29.2 | Very low | 31.1 | Very low | 90 Ų | 90 | 141.5 Ų | 141.5 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | 94.3 | 130.2 | 115.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 789 | S | 29.4 | Very low | 31.1 | Very low | 102.667 Ų | 102.667 | 139.3 Ų | 139.3 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | -171.8 | 155.7 | 120.8 | 77.4 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 790 | K | 29.3 | Very low | 31.4 | Very low | 174 Ų | 174 | 138.3 Ų | 138.3 | 76% | 0.757 | 75% | 0.747 | S | S | * | * | trans | 71.3 | 128.9 | 156.6 | -71.6 | -177.6 | 175.3 | 179.6 | 0 | 118.6 | ||||
| 791 | Q | 29.3 | Very low | 31.2 | Very low | 171.333 Ų | 171.333 | 140 Ų | 140 | 80% | 0.801 | 75% | 0.751 | S | S | * | * | 69.8 | 147.8 | 120.3 | -72.1 | 174.8 | -40.3 | 0 | 0 | 115.5 | |||||
| 792 | S | 28 | Very low | 31.2 | Very low | 86.6667 Ų | 86.6667 | 140.7 Ų | 140.7 | 61% | 0.606 | 75% | 0.747 | S | S | * | * | cis | -164.5 | 153.9 | -11 | -176.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 793 | Q | 29.9 | Very low | 31.7 | Very low | 153 Ų | 153 | 138.4 Ų | 138.4 | 72% | 0.715 | 74% | 0.743 | S | S | * | * | trans | 41.3 | 153.6 | 153.2 | -70.2 | 175.4 | 5.3 | 0 | 0 | 117.1 | ||||
| 794 | R | 28.5 | Very low | 31.8 | Very low | 194 Ų | 194 | 133.9 Ų | 133.9 | 73% | 0.732 | 74% | 0.737 | S | S | * | * | cis | 167.5 | 140.1 | 33 | -117.2 | 174.5 | 174.3 | 163.9 | -4.2 | 113.4 | ||||
| 795 | N | 29.9 | Very low | 32.1 | Very low | 142.667 Ų | 142.667 | 132.1 Ų | 132.1 | 76% | 0.763 | 73% | 0.734 | S | S | * | * | trans | 59.5 | 149.1 | 141.9 | -60.9 | 8.1 | 0 | 0 | 0 | 117.7 | ||||
| 796 | A | 32.2 | Very low | 32.4 | Very low | 83 Ų | 83 | 131.3 Ų | 131.3 | 69% | 0.686 | 73% | 0.73 | S | S | * | * | cis | -137.5 | 138.3 | -13.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 797 | N | 34.8 | Very low | 32.7 | Very low | 154.667 Ų | 154.667 | 135 Ų | 135 | 83% | 0.827 | 74% | 0.736 | S | S | * | * | trans | 96.9 | 142.7 | 162.4 | -77.5 | -11.3 | 0 | 0 | 0 | 115.2 | ||||
| 798 | K | 33.1 | Very low | 33.1 | Very low | 171.333 Ų | 171.333 | 130.8 Ų | 130.8 | 75% | 0.745 | 73% | 0.726 | S | S | * | * | cis | 167.3 | 140 | -23.5 | -157 | -157.9 | 174.5 | -143.2 | 0 | 113.3 | D800 | K798-D800 IonicContact NZ-OD2 2.76Å; K798-D800 PolarHBondContact NZ-OD2 2.57Å | ||
| 799 | S | 34.5 | Very low | 33.5 | Very low | 78.3333 Ų | 78.3333 | 133.6 Ų | 133.6 | 55% | 0.548 | 73% | 0.728 | S | S | . | * | trans | 69.1 | 139.7 | 146.9 | 52.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 800 | D | 35.7 | Very low | 33.8 | Very low | 132.667 Ų | 132.667 | 137 Ų | 137 | 71% | 0.709 | 73% | 0.733 | S | S | * | * | 108.7 | 130.1 | 115.2 | -55.5 | -31.7 | 0 | 0 | 0 | 115.2 | K798 | K798-D800 IonicContact NZ-OD2 2.76Å; K798-D800 PolarHBondContact NZ-OD2 2.57Å | |||
| 801 | D | 35.8 | Very low | 34.2 | Very low | 136.25 Ų | 136.25 | 134.1 Ų | 134.1 | 73% | 0.729 | 73% | 0.729 | S | S | * | * | 136.6 | 158.7 | 62.5 | -109.3 | -7.3 | 0 | 0 | 0 | 117.2 | |||||
| 802 | I | 36.7 | Very low | 34.6 | Very low | 139.5 Ų | 139.5 | 131.8 Ų | 131.8 | 72% | 0.715 | 73% | 0.727 | S | S | * | * | trans | 93.6 | 130.3 | 141 | -81.9 | 163.6 | 0 | 0 | 0 | 116.7 | ||||
| 803 | L | 37.1 | Very low | 34.8 | Very low | 146.5 Ų | 146.5 | 134.3 Ų | 134.3 | 77% | 0.767 | 73% | 0.734 | S | S | * | * | 127.9 | 163.9 | 67.4 | -136.5 | 62.6 | 0 | 0 | 0 | 113.8 | |||||
| 804 | D | 35.6 | Very low | 35.1 | Very low | 146.75 Ų | 146.75 | 134.9 Ų | 134.9 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | cis | -167.4 | 172.5 | -34.9 | -131.8 | -13.9 | 0 | 0 | 0 | 112.2 | ||||
| 805 | G | 36.2 | Very low | 35.4 | Very low | 61.75 Ų | 61.75 | 133.7 Ų | 133.7 | 64% | 0.637 | 74% | 0.742 | S | S | * | * | trans | 132.3 | 106.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 806 | T | 36.1 | Very low | 35.9 | Very low | 121.5 Ų | 121.5 | 131.3 Ų | 131.3 | 75% | 0.745 | 74% | 0.735 | S | S | * | * | trans | 32.6 | 146.3 | 142.5 | 21.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 807 | E | 36.3 | Very low | 36 | Very low | 177.5 Ų | 177.5 | 133.6 Ų | 133.6 | 83% | 0.829 | 74% | 0.735 | S | S | * | * | cis | -170.8 | 159.5 | 30.4 | -91.8 | 156 | -149.4 | 0 | 0 | 112.4 | ||||
| 808 | A | 37.4 | Very low | 36.1 | Very low | 82.25 Ų | 82.25 | 134 Ų | 134 | 68% | 0.68 | 73% | 0.732 | S | S | * | * | cis | 129.8 | 149.6 | 14.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 809 | D | 37.4 | Very low | 35.9 | Very low | 149.25 Ų | 149.25 | 131.1 Ų | 131.1 | 80% | 0.798 | 73% | 0.732 | S | S | * | * | 124.6 | -173.2 | -116.3 | -100.9 | -49.9 | 0 | 0 | 0 | 115 | |||||
| 810 | E | 36.7 | Very low | 35.9 | Very low | 173.5 Ų | 173.5 | 133.4 Ų | 133.4 | 81% | 0.811 | 74% | 0.743 | S | S | * | * | cis | -154.9 | 155.5 | -12.6 | -87.1 | -168.1 | 127.4 | 0 | 0 | 111.2 | ||||
| 811 | V | 36.4 | Very low | 35.7 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | cis | 91.7 | 127.3 | 42.9 | 155.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 812 | V | 37.4 | Very low | 35.5 | Very low | 123.5 Ų | 123.5 | 131.7 Ų | 131.7 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | 176.6 | 151.6 | 76.6 | 153.3 | 0 | 0 | 0 | 0 | 113 | |||||
| 813 | D | 32.3 | Very low | 35.2 | Very low | 139.25 Ų | 139.25 | 131.4 Ų | 131.4 | 75% | 0.745 | 75% | 0.746 | S | S | * | * | -138.3 | 165.2 | -128.5 | -86.3 | -34.8 | 0 | 0 | 0 | 115.4 | |||||
| 814 | I | 37.8 | Very low | 34.8 | Very low | 165.25 Ų | 165.25 | 129.3 Ų | 129.3 | 85% | 0.847 | 74% | 0.744 | S | S | * | * | trans | 136.7 | 137.1 | 138.9 | -70.4 | 167.8 | 0 | 0 | 0 | 116.5 | ||||
| 815 | E | 34.2 | Very low | 34.7 | Very low | 168 Ų | 168 | 128.2 Ų | 128.2 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | trans | -113.4 | -154.6 | 175 | -127.2 | -161.6 | 160.5 | 0 | 0 | 111.8 | ||||
| 816 | P | 40 | Very low | 34.4 | Very low | 93.25 Ų | 93.25 | 134.6 Ų | 134.6 | 61% | 0.606 | 75% | 0.752 | S | S | * | * | cis | -129.6 | -172.8 | -45.1 | 40.9 | -23.3 | 0 | 0 | 0 | 115.1 | ||||
| 817 | N | 34.9 | Very low | 34 | Very low | 130.5 Ų | 130.5 | 133.9 Ų | 133.9 | 70% | 0.698 | 75% | 0.752 | S | S | * | * | trans | 125.2 | 155.3 | 139.2 | -90.2 | 7.8 | 0 | 0 | 0 | 118.9 | ||||
| 818 | E | 35.7 | Very low | 33.9 | Very low | 162.25 Ų | 162.25 | 132.5 Ų | 132.5 | 76% | 0.758 | 75% | 0.749 | S | S | * | * | 121.8 | 153.6 | 66.3 | -98 | -177.8 | 135.9 | 0 | 0 | 118.9 | |||||
| 819 | C | 28.8 | Very low | 33.5 | Very low | 110.75 Ų | 110.75 | 137.8 Ų | 137.8 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | 81.2 | 149.5 | 141.5 | -94.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 820 | V | 35.6 | Very low | 33.2 | Very low | 126.75 Ų | 126.75 | 135.2 Ų | 135.2 | 77% | 0.768 | 75% | 0.75 | S | S | * | * | cis | 143.3 | 149.5 | 48.1 | 139.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 821 | D | 31.7 | Very low | 32.9 | Very low | 139.75 Ų | 139.75 | 134 Ų | 134 | 75% | 0.747 | 75% | 0.749 | S | S | * | * | trans | -0.4 | 138.3 | 168.3 | -87.5 | -50.8 | 0 | 0 | 0 | 122.8 | ||||
| 822 | S | 30.7 | Very low | 32.7 | Very low | 94.25 Ų | 94.25 | 136.5 Ų | 136.5 | 66% | 0.659 | 75% | 0.754 | S | S | * | * | 97.1 | 136.6 | 122.7 | 59.1 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 823 | T | 31.1 | Very low | 32.4 | Very low | 132.75 Ų | 132.75 | 137.9 Ų | 137.9 | 81% | 0.814 | 75% | 0.754 | S | S | * | * | trans | 73.7 | 149.2 | 146.3 | 68.1 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 824 | S | 28.6 | Very low | 32.3 | Very low | 103.5 Ų | 103.5 | 137.1 Ų | 137.1 | 72% | 0.724 | 75% | 0.75 | S | S | * | * | -179.6 | 175.8 | -83.4 | 67.8 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 825 | V | 32.5 | Very low | 31.9 | Very low | 123.25 Ų | 123.25 | 136.2 Ų | 136.2 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | trans | 101.3 | 114.1 | 160 | 176.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 826 | K | 30.2 | Very low | 31.9 | Very low | 194.75 Ų | 194.75 | 135 Ų | 135 | 85% | 0.847 | 74% | 0.743 | S | S | * | * | 45.5 | 140.2 | 127.1 | -64.3 | 174.3 | -174.5 | 170.8 | 0 | 120.2 | |||||
| 827 | S | 28.8 | Very low | 31.5 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | 130.7 | 167.1 | 50.4 | -170.3 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 828 | I | 33 | Very low | 31.4 | Very low | 149.5 Ų | 149.5 | 136.2 Ų | 136.2 | 77% | 0.767 | 75% | 0.749 | S | S | * | * | trans | 107.6 | 111 | 157.8 | -65.1 | 173.2 | 0 | 0 | 0 | 115.3 | ||||
| 829 | K | 29.3 | Very low | 31.4 | Very low | 193.5 Ų | 193.5 | 135.4 Ų | 135.4 | 84% | 0.841 | 75% | 0.748 | S | S | * | * | trans | 53.5 | 141.1 | 130.8 | -70.6 | -177.8 | 179.4 | -178.6 | 0 | 116.9 | ||||
| 830 | S | 30.6 | Very low | 31.6 | Very low | 93.75 Ų | 93.75 | 136 Ų | 136 | 66% | 0.656 | 75% | 0.748 | S | S | * | * | 168.7 | 149.7 | 56.1 | 111.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 831 | N | 31.5 | Very low | 31.5 | Very low | 148.5 Ų | 148.5 | 138.1 Ų | 138.1 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | trans | 56.3 | 148.7 | 163.9 | -51.7 | -11.6 | 0 | 0 | 0 | 116.3 | ||||
| 832 | Q | 32.4 | Very low | 31.6 | Very low | 167.5 Ų | 167.5 | 136.5 Ų | 136.5 | 78% | 0.783 | 75% | 0.746 | S | S | * | * | -173 | 125.4 | 62.8 | -176.5 | 164.8 | -7.6 | 0 | 0 | 112.5 | |||||
| 833 | M | 29.6 | Very low | 31.8 | Very low | 152.25 Ų | 152.25 | 139.6 Ų | 139.6 | 75% | 0.75 | 75% | 0.753 | S | S | * | * | trans | 31.8 | 148.2 | 136 | -80.2 | -168 | 143.8 | 0 | 0 | 116.8 | ||||
| 834 | D | 31.1 | Very low | 31.8 | Very low | 122.5 Ų | 122.5 | 141 Ų | 141 | 66% | 0.655 | 75% | 0.75 | S | S | * | * | 127.1 | 168.1 | 65.2 | -87.4 | -31.5 | 0 | 0 | 0 | 114.3 | |||||
| 835 | L | 30 | Very low | 32.1 | Very low | 145.75 Ų | 145.75 | 144 Ų | 144 | 76% | 0.763 | 75% | 0.753 | S | S | * | * | 138.1 | 115.7 | 119.3 | -141.9 | 71.2 | 0 | 0 | 0 | 114.8 | |||||
| 836 | I | 33.1 | Very low | 32.1 | Very low | 142.5 Ų | 142.5 | 146 Ų | 146 | 73% | 0.731 | 76% | 0.758 | S | S | * | * | 40.7 | 130.4 | 119.1 | -64.6 | 167.6 | 0 | 0 | 0 | 115.1 | |||||
| 837 | T | 32.7 | Very low | 32.2 | Very low | 117.25 Ų | 117.25 | 146.9 Ų | 146.9 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | trans | 74.3 | 123.2 | 161.5 | 20.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 838 | D | 32.8 | Very low | 32.3 | Very low | 131.5 Ų | 131.5 | 148.2 Ų | 148.2 | 70% | 0.703 | 76% | 0.755 | S | S | * | * | -167.8 | 158.5 | 109 | -124.4 | -19.5 | 0 | 0 | 0 | 113 | T840 | D838-T840 WeakPolarHBondContact OD1-CG2 3.25Å; D838-T840 PolarHBondContact OD1-N 3.05Å; D838-T840 VanDerWaalsContact OD1-N 3.15Å; D838-T840 PolarHBondContact OD1-OG1 2.71Å; D838-T840 VanDerWaalsContact OD1-OG1 3.05Å | |||
| 839 | I | 35.7 | Very low | 32.3 | Very low | 146.75 Ų | 146.75 | 148.5 Ų | 148.5 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | trans | 128 | 107.8 | 144.5 | -81.4 | 166.1 | 0 | 0 | 0 | 113.3 | Q841 | I839-Q841 PolarHBondContact O-N 3.29Š| ||
| 840 | T | 32.4 | Very low | 32.5 | Very low | 121.75 Ų | 121.75 | 144.4 Ų | 144.4 | 75% | 0.747 | 74% | 0.744 | S | S | * | * | trans | -72.3 | 109.4 | 161.7 | 28.6 | 0 | 0 | 0 | 0 | 115.9 | D838 | D838-T840 WeakPolarHBondContact OD1-CG2 3.25Å; D838-T840 PolarHBondContact OD1-N 3.05Å; D838-T840 VanDerWaalsContact OD1-N 3.15Å; D838-T840 PolarHBondContact OD1-OG1 2.71Å; D838-T840 VanDerWaalsContact OD1-OG1 3.05Å | ||
| 841 | Q | 34 | Very low | 32.6 | Very low | 172.5 Ų | 172.5 | 145 Ų | 145 | 81% | 0.806 | 75% | 0.745 | S | S | * | * | trans | -155.5 | 131.2 | 146.4 | -143.2 | 171.8 | -17.5 | 0 | 0 | 108.5 | I839 | I839-Q841 PolarHBondContact O-N 3.29Š| ||
| 842 | T | 33.8 | Very low | 32.6 | Very low | 106.25 Ų | 106.25 | 144.7 Ų | 144.7 | 65% | 0.652 | 74% | 0.743 | S | S | * | * | -155.3 | 116.4 | 98.2 | -34.1 | 0 | 0 | 0 | 0 | 112.8 | Q844 | T842-Q844 HydrophobicContact CG2-CB 3.79Å; T842-Q844 WeakPolarHBondContact CG2-O 3.36Å | |||
| 843 | I | 33.5 | Very low | 32.6 | Very low | 158 Ų | 158 | 142.7 Ų | 142.7 | 81% | 0.81 | 74% | 0.742 | S | S | * | * | trans | -115.2 | 100.2 | 163 | -67.7 | 178.8 | 0 | 0 | 0 | 109.6 | ||||
| 844 | Q | 32 | Very low | 32.8 | Very low | 163.25 Ų | 163.25 | 142.7 Ų | 142.7 | 76% | 0.763 | 74% | 0.74 | S | S | * | * | trans | -104 | 100.2 | 169.9 | -83.4 | 166.3 | -62.8 | 0 | 0 | 114.1 | T842 | T842-Q844 HydrophobicContact CG2-CB 3.79Å; T842-Q844 WeakPolarHBondContact CG2-O 3.36Å | ||
| 845 | E | 35.2 | Very low | 32.8 | Very low | 165.5 Ų | 165.5 | 145.2 Ų | 145.2 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | -148.1 | 148.2 | 73.9 | -89.1 | 163.4 | 164.5 | 0 | 0 | 108.9 | R847 | E845-R847 PolarHBondContact O-N 2.88Š| |||
| 846 | L | 31.7 | Very low | 32.8 | Very low | 165 Ų | 165 | 142.8 Ų | 142.8 | 86% | 0.864 | 74% | 0.741 | S | S | * | * | trans | 32.9 | 87 | 157.2 | -71.4 | 170.4 | 0 | 0 | 0 | 115.3 | ||||
| 847 | R | 32.1 | Very low | 32.7 | Very low | 215 Ų | 215 | 146.4 Ų | 146.4 | 81% | 0.811 | 75% | 0.746 | S | S | * | * | trans | -159.8 | 136.9 | 165.4 | -141.3 | -179.3 | -175.3 | 139.3 | 2.2 | 111.7 | E845 | E845-R847 PolarHBondContact O-N 2.88Š| ||
| 848 | N | 31.1 | Very low | 32.7 | Very low | 133.25 Ų | 133.25 | 147 Ų | 147 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | trans | 76.9 | 120 | 170.5 | -60.4 | -4.9 | 0 | 0 | 0 | 117.2 | A579 S580 | A579-N848 VanDerWaalsContact O-O 3.05Å; S580-N848 WeakPolarHBondContact CA-O 3.22Å | ||
| 849 | E | 33.1 | Very low | 32.5 | Very low | 156.25 Ų | 156.25 | 148.8 Ų | 148.8 | 73% | 0.73 | 75% | 0.747 | S | S | * | * | -167.4 | 151.2 | 124.9 | -112.6 | 172 | -167.2 | 0 | 0 | 114.9 | P578 A579 S580 | P578-E849 WeakPolarHBondContact CB-OE1 3.35Å; P578-E849 WeakPolarHBondContact CB-OE2 3.44Å; P578-E849 VanDerWaalsContact CG-CD 3.48Å; P578-E849 WeakPolarHBondContact CG-OE1 3.26Å; P578-E849 WeakPolarHBondContact CG-OE2 3.39Å; A579-E849 PolarHBondContact N-OE2 2.78Å; S580-E849 VanDerWaalsContact CA-O 3.28Å; S580-E849 WeakPolarHBondContact CA-O 3.43Å; S580-E849 WeakPolarHBondContact CB-O 3.44Å | |||
| 850 | T | 33.4 | Very low | 32.3 | Very low | 106.5 Ų | 106.5 | 147.5 Ų | 147.5 | 65% | 0.653 | 75% | 0.746 | S | S | * | * | trans | -19.6 | 141.2 | 155.9 | 30.7 | 0 | 0 | 0 | 0 | 116.8 | S580 | S580-T850 WeakPolarHBondContact CB-O 3.2Å; S580-T850 WeakPolarHBondContact CB-OG1 3.48Å; S580-T850 PolarHBondContact N-OG1 2.91Å; S580-T850 PolarHBondContact OG-OG1 2.64Å | ||
| 851 | T | 32.7 | Very low | 32.3 | Very low | 108.25 Ų | 108.25 | 149.9 Ų | 149.9 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | 177.8 | 152.6 | 91.2 | 40.8 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 852 | N | 32.2 | Very low | 32.1 | Very low | 140.5 Ų | 140.5 | 146.8 Ų | 146.8 | 75% | 0.751 | 75% | 0.746 | S | S | * | * | trans | 73.5 | 116.2 | 154 | -62.1 | -24.8 | 0 | 0 | 0 | 119.7 | ||||
| 853 | T | 32.8 | Very low | 31.9 | Very low | 126.5 Ų | 126.5 | 146.2 Ų | 146.2 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | -152 | 160.1 | 64 | 31.2 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 854 | H | 34 | Very low | 31.8 | Very low | 151.75 Ų | 151.75 | 144.9 Ų | 144.9 | 70% | 0.703 | 75% | 0.751 | S | S | * | * | trans | 147.5 | 137.3 | 174 | -112.6 | -19.2 | 0 | 0 | 0 | 117.4 | ||||
| 855 | K | 30.5 | Very low | 31.6 | Very low | 176 Ų | 176 | 145.4 Ų | 145.4 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | trans | 90.2 | 141.5 | 148.4 | -74.8 | 169.5 | -177.1 | 167.6 | 0 | 116.5 | ||||
| 856 | S | 29.9 | Very low | 31.4 | Very low | 95.5 Ų | 95.5 | 141 Ų | 141 | 67% | 0.668 | 76% | 0.757 | S | S | * | * | 176 | 147.6 | 56.7 | -155.8 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 857 | Y | 32.1 | Very low | 31.3 | Very low | 216.75 Ų | 216.75 | 144.6 Ų | 144.6 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | trans | -144.2 | 139.8 | 136 | -88.6 | -83.9 | 0 | 0 | 0 | 115 | ||||
| 858 | D | 31.1 | Very low | 31.3 | Very low | 129.25 Ų | 129.25 | 141.8 Ų | 141.8 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | -162 | 153.5 | -98.8 | -159.2 | -7.6 | 0 | 0 | 0 | 110.1 | V860 | D858-V860 PolarHBondContact OD1-N 3.38Š| |||
| 859 | K | 29.6 | Very low | 31.5 | Very low | 170 Ų | 170 | 141.2 Ų | 141.2 | 74% | 0.739 | 76% | 0.763 | S | S | * | * | trans | 163.3 | 115.5 | 166.4 | -108.5 | 170.1 | -180 | 152 | 0 | 114.8 | ||||
| 860 | V | 31.3 | Very low | 31.3 | Very low | 120.5 Ų | 120.5 | 138.7 Ų | 138.7 | 73% | 0.73 | 76% | 0.762 | S | S | * | * | 147.5 | 125.7 | 76 | 172.5 | 0 | 0 | 0 | 0 | 112.3 | D858 | D858-V860 PolarHBondContact OD1-N 3.38Š| |||
| 861 | H | 32.4 | Very low | 31.2 | Very low | 170.5 Ų | 170.5 | 139 Ų | 139 | 79% | 0.789 | 77% | 0.769 | S | S | * | * | trans | -126.2 | 145.8 | 138.6 | -87 | -71.3 | 0 | 0 | 0 | 112.7 | ||||
| 862 | S | 30 | Very low | 31.1 | Very low | 109 Ų | 109 | 139.3 Ų | 139.3 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | trans | -125.9 | 150.4 | 143.9 | -55.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 863 | A | 30.2 | Very low | 30.9 | Very low | 93.75 Ų | 93.75 | 137.9 Ų | 137.9 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | 141.6 | 141.5 | 102.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 864 | T | 30.7 | Very low | 30.8 | Very low | 129.25 Ų | 129.25 | 137.7 Ų | 137.7 | 79% | 0.793 | 78% | 0.78 | S | S | * | * | -171.8 | 155 | 69.3 | -67.5 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 865 | L | 28.1 | Very low | 30.6 | Very low | 175 Ų | 175 | 139 Ų | 139 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | trans | -19.9 | 140.5 | 166.9 | -78.3 | 145.3 | 0 | 0 | 0 | 116.5 | ||||
| 866 | G | 30 | Very low | 30.5 | Very low | 72.25 Ų | 72.25 | 137.9 Ų | 137.9 | 75% | 0.745 | 79% | 0.786 | S | S | * | * | trans | 147.9 | 149.4 | 159.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 867 | R | 29.1 | Very low | 30.5 | Very low | 240.25 Ų | 240.25 | 136.3 Ų | 136.3 | 91% | 0.907 | 78% | 0.784 | S | S | * | * | cis | 168.1 | 129.1 | -14.1 | -157.2 | -178.7 | -178.9 | 158.9 | 1 | 110.7 | ||||
| 868 | L | 33.4 | Very low | 30.3 | Very low | 155.75 Ų | 155.75 | 133 Ų | 133 | 82% | 0.815 | 78% | 0.78 | S | S | * | * | trans | -56.4 | 163.4 | 164.8 | -75.3 | 94.5 | 0 | 0 | 0 | 112.7 | S870 | L868-S870 PolarHBondContact O-N 3.5Š| ||
| 869 | P | 34.2 | Very low | 30.2 | Very low | 121.75 Ų | 121.75 | 133.9 Ų | 133.9 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | -116.8 | 168.6 | 99 | 35.6 | -27.5 | 0 | 0 | 0 | 113.7 | |||||
| 870 | S | 29.5 | Very low | 30.2 | Very low | 103.5 Ų | 103.5 | 130.2 Ų | 130.2 | 72% | 0.724 | 78% | 0.776 | S | S | * | * | trans | -98.5 | 158.7 | 179.8 | 43.2 | 0 | 0 | 0 | 0 | 114.9 | L868 | L868-S870 PolarHBondContact O-N 3.5Š| ||
| 871 | S | 30.6 | Very low | 30.1 | Very low | 113.25 Ų | 113.25 | 131.7 Ų | 131.7 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | trans | 85.5 | 153.7 | 166.1 | 65 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 872 | S | 31.4 | Very low | 30.2 | Very low | 113.25 Ų | 113.25 | 131.1 Ų | 131.1 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | -151 | 168.2 | 58.6 | 52.8 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 873 | S | 28.5 | Very low | 30.4 | Very low | 113 Ų | 113 | 132 Ų | 132 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | -130.1 | 124.2 | -157.2 | 63.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 874 | S | 31.1 | Very low | 30.3 | Very low | 120.75 Ų | 120.75 | 130.8 Ų | 130.8 | 84% | 0.844 | 78% | 0.781 | S | S | * | * | trans | -148.5 | 138.6 | 138.3 | 58.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 875 | K | 28.6 | Very low | 30.2 | Very low | 180.75 Ų | 180.75 | 129.9 Ų | 129.9 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | -164 | 141.7 | 133.1 | -171.3 | -177.1 | 175.1 | -172 | 0 | 110.4 | D286 | D286-K875 WeakPolarHBondContact OD1-CB 3.44Å; D286-K875 WeakPolarHBondContact OD1-CD 3.42Å; D286-K875 WeakPolarHBondContact OD1-CE 3.35Å; D286-K875 WeakPolarHBondContact OD1-CG 3.36Å; D286-K875 IonicContact OD1-NZ 2.63Å; D286-K875 VanDerWaalsContact OD2-CE 3.28Å; D286-K875 WeakPolarHBondContact OD2-CE 3.35Å; D286-K875 IonicContact OD2-NZ 3.37Å; D286-K875 PolarHBondContact OD2-NZ 3.39Å | ||
| 876 | L | 29.4 | Very low | 30.2 | Very low | 152.5 Ų | 152.5 | 126.8 Ų | 126.8 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | trans | 117.9 | 122.7 | -178.4 | -85.8 | 159.6 | 0 | 0 | 0 | 109.3 | G287 N1051 | G287-L876 CarbonylContact C-O 3.54Å; G287-L876 WeakPolarHBondContact CA-O 3.06Å; L876-N1051 WeakPolarHBondContact CD2-ND2 3.43Å | ||
| 877 | G | 28.4 | Very low | 30.1 | Very low | 61.5 Ų | 61.5 | 128.7 Ų | 128.7 | 63% | 0.634 | 77% | 0.77 | S | S | * | * | cis | 136.1 | 139.6 | 44.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D286 G287 T288 | D286-G877 CarbonylContact C-O 3.16Å; G287-G877 PolarHBondContact N-O 3.04Å; T288-G877 WeakPolarHBondContact OG1-CA 3.34Å | ||
| 878 | L | 28.9 | Very low | 30.3 | Very low | 146.25 Ų | 146.25 | 122.6 Ų | 122.6 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | cis | -135.1 | 144.7 | 48.8 | -154 | 69.4 | 0 | 0 | 0 | 111.6 | T288 N1053 | T288-L878 WeakPolarHBondContact CA-O 3.29Å; T288-L878 WeakPolarHBondContact CB-O 3.46Å; T288-L878 HydrophobicContact CG2-CB 4Å; T288-L878 HydrophobicContact CG2-CD2 3.7Å; T288-L878 HydrophobicContact CG2-CG 4.18Å; T288-L878 WeakPolarHBondContact CG2-O 3.33Å; T288-L878 PolarHBondContact N-O 3.19Å; T288-L878 PolarHBondContact OG1-O 2.83Å; L878-N1053 WeakPolarHBondContact CD2-ND2 3.03Å | ||
| 879 | E | 29 | Very low | 30.1 | Very low | 148.75 Ų | 148.75 | 122.3 Ų | 122.3 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | trans | -166.8 | 158.5 | 136.8 | -90.7 | 174.3 | 125.6 | 0 | 0 | 114.3 | T288 I289 I290 | T288-E879 HydrophobicContact CG2-CG 3.55Å; I289-E879 VanDerWaalsContact C-OE2 3.32Å; I289-E879 WeakPolarHBondContact CA-OE2 3.41Å; I289-E879 PolarHBondContact N-OE2 2.03Å; I290-E879 PolarHBondContact N-OE2 3.36Å | ||
| 880 | S | 28.9 | Very low | 30.1 | Very low | 93 Ų | 93 | 121.9 Ų | 121.9 | 65% | 0.65 | 76% | 0.755 | S | S | * | * | 158.4 | 158.8 | 77.9 | 63.2 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 881 | L | 30.5 | Very low | 30.2 | Very low | 151.5 Ų | 151.5 | 121 Ų | 121 | 79% | 0.793 | 75% | 0.754 | S | S | * | * | trans | 83 | 122.5 | 149.1 | -74.3 | 168.7 | 0 | 0 | 0 | 118 | ||||
| 882 | L | 34 | Very low | 30.2 | Very low | 159 Ų | 159 | 122.8 Ų | 122.8 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | trans | -59.9 | 166.4 | 145.3 | -74.5 | 91.2 | 0 | 0 | 0 | 112.2 | ||||
| 883 | P | 33.3 | Very low | 30.2 | Very low | 127 Ų | 127 | 122.4 Ų | 122.4 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | trans | -124.1 | 166.1 | 164.4 | 37.2 | -27.2 | 0 | 0 | 0 | 113.2 | ||||
| 884 | G | 27.9 | Very low | 30.4 | Very low | 68.75 Ų | 68.75 | 121.6 Ų | 121.6 | 71% | 0.709 | 75% | 0.746 | S | S | * | * | trans | -158.4 | 135.8 | 157.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 885 | S | 29.2 | Very low | 30.4 | Very low | 110.5 Ų | 110.5 | 121.6 Ų | 121.6 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | trans | 86.2 | 142.8 | 170.1 | -58.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 886 | S | 27.4 | Very low | 30.5 | Very low | 110.5 Ų | 110.5 | 119.2 Ų | 119.2 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | trans | 76.8 | 149.6 | 145.6 | 46.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 887 | V | 29.9 | Very low | 30.7 | Very low | 111.5 Ų | 111.5 | 116.7 Ų | 116.7 | 68% | 0.676 | 74% | 0.737 | S | S | * | * | trans | 98.8 | 130.3 | 150.5 | 172.9 | 0 | 0 | 0 | 0 | 115.2 | I294 L295 L296 | I294-V887 HydrophobicContact CG1-CG2 4.46Å; I294-V887 HydrophobicContact CG2-CG1 4.39Å; I294-V887 HydrophobicContact CG2-CG2 3.99Å; L295-V887 WeakPolarHBondContact O-CG1 3.43Å; L296-V887 HydrophobicContact CG-CG1 4.26Å | ||
| 888 | T | 31.6 | Very low | 31 | Very low | 112 Ų | 112 | 120.8 Ų | 120.8 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | trans | 130.9 | 129 | 166.4 | 50.6 | 0 | 0 | 0 | 0 | 118.1 | S297 | S297-T888 PolarHBondContact N-O 3.38Š| ||
| 889 | L | 29.8 | Very low | 31.3 | Very low | 149 Ų | 149 | 120.7 Ų | 120.7 | 78% | 0.78 | 75% | 0.745 | S | S | * | * | trans | 48.3 | 166.3 | 142.9 | -58.6 | 148 | 0 | 0 | 0 | 116.4 | S297 A298 | S297-L889 VanDerWaalsContact C-C 3.47Å; S297-L889 CarbonylContact C-O 3.48Å; S297-L889 VanDerWaalsContact CA-O 3.3Å; S297-L889 WeakPolarHBondContact CA-O 3.33Å; S297-L889 PolarHBondContact N-O 2.81Å; A298-L889 VanDerWaalsContact CA-C 3.48Å; A298-L889 HydrophobicContact CB-CD1 3.46Å; A298-L889 VanDerWaalsContact CB-CD1 3.46Å; A298-L889 PolarHBondContact N-O 3.47Å | ||
| 890 | P | 35.3 | Very low | 31.7 | Very low | 114 Ų | 114 | 118.3 Ų | 118.3 | 74% | 0.74 | 74% | 0.742 | S | S | * | * | trans | -127.1 | 176 | 150.6 | 37 | -19.7 | 0 | 0 | 0 | 115.7 | S297 A298 N299 | S297-P890 CarbonylContact O-C 3.54Å; S297-P890 WeakPolarHBondContact O-CA 3.49Å; A298-P890 CarbonylContact C-O 3.58Å; A298-P890 VanDerWaalsContact C-O 3.24Å; A298-P890 CarbonylContact O-C 3.56Å; N299-P890 VanDerWaalsContact N-C 3.28Å; N299-P890 PolarHBondContact N-O 3.32Å | ||
| 891 | A | 31.4 | Very low | 31.8 | Very low | 83.25 Ų | 83.25 | 124.3 Ų | 124.3 | 69% | 0.688 | 75% | 0.75 | S | S | * | * | trans | 163.1 | 129.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | S297 A298 N299 | S297-A891 PolarHBondContact O-N 3.07Å; A298-A891 CarbonylContact O-C 3.55Å; A298-A891 PolarHBondContact O-N 2.8Å; N299-A891 WeakPolarHBondContact CB-O 3.3Å; N299-A891 PolarHBondContact ND2-O 3.38Å | ||
| 892 | N | 29.8 | Very low | 31.9 | Very low | 152 Ų | 152 | 122.1 Ų | 122.1 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | trans | 60 | 137 | 150.7 | -97.5 | -7.1 | 0 | 0 | 0 | 117.4 | N299 | N299-N892 PolarHBondContact ND2-O 3.44Š| ||
| 893 | S | 32 | Very low | 31.8 | Very low | 105.25 Ų | 105.25 | 118.6 Ų | 118.6 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | 139.5 | 148.5 | 104.3 | 67.2 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 894 | S | 31.3 | Very low | 31.7 | Very low | 96.5 Ų | 96.5 | 120.1 Ų | 120.1 | 68% | 0.675 | 74% | 0.742 | S | S | * | * | -135.3 | 154.6 | 81.5 | 59.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 895 | T | 32 | Very low | 31.8 | Very low | 120.5 Ų | 120.5 | 126 Ų | 126 | 74% | 0.739 | 75% | 0.748 | S | S | * | * | 123.5 | 145.8 | 127.3 | 47.7 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 896 | T | 31.3 | Very low | 31.9 | Very low | 130.75 Ų | 130.75 | 125.8 Ų | 125.8 | 80% | 0.802 | 75% | 0.746 | S | S | * | * | trans | 72 | 139.6 | 163.5 | 52.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 897 | S | 33.5 | Very low | 32.3 | Very low | 99.5 Ų | 99.5 | 125.5 Ų | 125.5 | 70% | 0.696 | 75% | 0.745 | S | S | * | * | -157.8 | 149.1 | 115.2 | 54.9 | 0 | 0 | 0 | 0 | 112.8 | N899 | S897-N899 PolarHBondContact O-N 3.24Š| |||
| 898 | N | 34.6 | Very low | 32.5 | Very low | 147 Ų | 147 | 126.3 Ų | 126.3 | 79% | 0.786 | 75% | 0.745 | S | S | * | * | trans | 57.2 | 94.7 | 137 | -66.1 | -17.9 | 0 | 0 | 0 | 117.6 | ||||
| 899 | N | 34.1 | Very low | 32.7 | Very low | 143.5 Ų | 143.5 | 129.3 Ų | 129.3 | 77% | 0.767 | 75% | 0.749 | S | S | * | * | -37.3 | 154.4 | 118.7 | -94.5 | -36.2 | 0 | 0 | 0 | 115.3 | S897 R901 | S897-N899 PolarHBondContact O-N 3.24Å; N899-R901 PolarHBondContact O-N 3.12Å; N899-R901 VanDerWaalsContact O-N 3.17Å | |||
| 900 | P | 37.4 | Very low | 33.2 | Very low | 98.25 Ų | 98.25 | 129 Ų | 129 | 64% | 0.638 | 75% | 0.753 | S | S | * | * | trans | -121.1 | 155.2 | 158.2 | 37.7 | -27.9 | 0 | 0 | 0 | 114.4 | S902 | P900-S902 PolarHBondContact O-N 3.09Š| ||
| 901 | R | 32.1 | Very low | 33 | Very low | 219 Ų | 219 | 126.5 Ų | 126.5 | 83% | 0.826 | 75% | 0.748 | S | S | * | * | trans | -160.8 | 133.9 | 148.6 | -90.6 | 172 | 174.7 | 169.1 | 0.2 | 113.8 | T216 N217 N899 A903 | T216-R901 VanDerWaalsContact O-CZ 3.3Å; T216-R901 PolarHBondContact O-NH1 3.43Å; T216-R901 PolarHBondContact O-NH2 3.28Å; N217-R901 PolarHBondContact O-NH2 2.95Å; N899-R901 PolarHBondContact O-N 3.12Å; N899-R901 VanDerWaalsContact O-N 3.17Å; R901-A903 PolarHBondContact O-N 3.34Å; R901-A903 VanDerWaalsContact O-N 3.1Å | ||
| 902 | S | 31.8 | Very low | 33.5 | Very low | 107.25 Ų | 107.25 | 127.7 Ų | 127.7 | 75% | 0.75 | 75% | 0.749 | S | S | * | * | 76.5 | 122.7 | 90.8 | -61.1 | 0 | 0 | 0 | 0 | 114.2 | P900 | P900-S902 PolarHBondContact O-N 3.09Š| |||
| 903 | A | 31.4 | Very low | 33.8 | Very low | 84 Ų | 84 | 130.3 Ų | 130.3 | 69% | 0.694 | 75% | 0.753 | S | S | * | * | trans | -122.6 | 129.3 | 170 | 0 | 0 | 0 | 0 | 0 | 113.2 | R901 | R901-A903 PolarHBondContact O-N 3.34Å; R901-A903 VanDerWaalsContact O-N 3.1Å | ||
| 904 | L | 31.4 | Very low | 34.1 | Very low | 159.5 Ų | 159.5 | 131.4 Ų | 131.4 | 84% | 0.835 | 76% | 0.755 | S | S | * | * | trans | 121.7 | 118.4 | 136.8 | -83.8 | 159.2 | 0 | 0 | 0 | 113.4 | ||||
| 905 | K | 30.1 | Very low | 34.4 | Very low | 193 Ų | 193 | 133 Ų | 133 | 84% | 0.839 | 76% | 0.756 | S | S | * | * | cis | 179.1 | 121.1 | 14.5 | -172.5 | 179.8 | 177.6 | 177.9 | 0 | 112 | ||||
| 906 | S | 31.3 | Very low | 34.7 | Very low | 104.75 Ų | 104.75 | 136.2 Ų | 136.2 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | trans | -171.5 | 139.5 | 160.2 | -159.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 907 | S | 36.3 | Very low | 35.1 | Very low | 105 Ų | 105 | 138.3 Ų | 138.3 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | 171.9 | 143.6 | 70.3 | 37.6 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 908 | D | 34.8 | Very low | 35.5 | Very low | 127.5 Ų | 127.5 | 139.5 Ų | 139.5 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | trans | -126.5 | 158.7 | 171.1 | -105.2 | -48.6 | 0 | 0 | 0 | 111.7 | ||||
| 909 | K | 36 | Very low | 35.9 | Very low | 176.25 Ų | 176.25 | 142.5 Ų | 142.5 | 77% | 0.766 | 76% | 0.758 | S | S | * | * | 53.2 | 126.4 | 128 | -71.2 | 163.6 | -169.2 | 145.4 | 0 | 116.1 | |||||
| 910 | T | 39 | Very low | 36.4 | Very low | 143 Ų | 143 | 144 Ų | 144 | 88% | 0.877 | 76% | 0.758 | S | S | * | * | 171.2 | 150.2 | 106.4 | 41.4 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 911 | G | 32.1 | Very low | 37.2 | Very low | 60.5 Ų | 60.5 | 143.6 Ų | 143.6 | 62% | 0.624 | 75% | 0.754 | S | S | * | * | trans | -160.4 | 168.1 | 143.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | N191 | N191-G911 PolarHBondContact ND2-O 2.03Š| ||
| 912 | P | 41.7 | Very low | 38.3 | Very low | 108.75 Ų | 108.75 | 137.1 Ų | 137.1 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | cis | -125.5 | 172.1 | 36.9 | 41 | -29.7 | 0 | 0 | 0 | 115 | N191 | N191-P912 HydrophobicContact CB-CG 3.71Š| ||
| 913 | K | 35.4 | Very low | 39.5 | Very low | 206.75 Ų | 206.75 | 137.8 Ų | 137.8 | 90% | 0.899 | 73% | 0.733 | S | S | * | * | trans | -113.8 | 130.7 | 157.4 | -76.9 | 167 | -176.4 | 175.2 | 0 | 112.6 | ||||
| 914 | V | 37.9 | Very low | 41 | Very low | 128.25 Ų | 128.25 | 137.9 Ų | 137.9 | 78% | 0.777 | 73% | 0.725 | S | S | * | * | trans | -131.7 | 136.3 | 165.1 | -169.5 | 0 | 0 | 0 | 0 | 108.8 | K916 | V914-K916 PolarHBondContact O-N 3.5Š| ||
| 915 | N | 38.7 | Very low | 42.5 | Very low | 130.5 Ų | 130.5 | 135.1 Ų | 135.1 | 70% | 0.698 | 71% | 0.71 | S | S | * | * | trans | -140.9 | 115.3 | -167.6 | -133.7 | 1.8 | 0 | 0 | 0 | 111.9 | H917 L918 R919 | N915-H917 PolarHBondContact O-N 2.95Å; N915-L918 HydrophobicContact CB-CB 3.97Å; N915-L918 PolarHBondContact O-N 3.16Å; N915-R919 PolarHBondContact O-N 2.92Å | ||
| 916 | K | 38.2 | Very low | 44.3 | Very low | 188 Ų | 188 | 130.4 Ų | 130.4 | 82% | 0.817 | 69% | 0.693 | S | S | * | * | trans | 22.6 | 84 | 159.2 | -80.8 | 171.3 | -178 | 179.8 | 0 | 115.2 | V914 L918 R919 F920 | V914-K916 PolarHBondContact O-N 3.5Å; K916-L918 PolarHBondContact O-N 3.2Å; K916-R919 PolarHBondContact O-N 3.02Å; K916-F920 PolarHBondContact O-N 3.26Å | ||
| 917 | H | 40.2 | Very low | 46 | Very low | 173 Ų | 173 | 127.9 Ų | 127.9 | 80% | 0.801 | 68% | 0.679 | S | S | * | * | trans | -149.4 | 81.4 | 134.8 | -113.4 | -94 | 0 | 0 | 0 | 112.3 | N915 F920 T921 | N915-H917 PolarHBondContact O-N 2.95Å; H917-F920 PolarHBondContact O-N 3.01Å; H917-T921 PolarHBondContact O-N 3.17Å; H917-T921 PolarHBondContact O-OG1 3.26Å; H917-T921 VanDerWaalsContact O-OG1 3.14Å | ||
| 918 | L | 41.2 | Very low | 47.3 | Very low | 126.75 Ų | 126.75 | 128.6 Ų | 128.6 | 66% | 0.664 | 67% | 0.674 | S | S | * | * | trans | -117.7 | 106.1 | 172.2 | -158.6 | 76.9 | 0 | 0 | 0 | 112.9 | N915 K916 F920 T921 T922 | N915-L918 HydrophobicContact CB-CB 3.97Å; N915-L918 PolarHBondContact O-N 3.16Å; K916-L918 PolarHBondContact O-N 3.2Å; L918-F920 VanDerWaalsContact C-N 3.33Å; L918-F920 PolarHBondContact O-N 3.01Å; L918-T921 WeakPolarHBondContact CA-OG1 3.39Å; L918-T921 PolarHBondContact O-N 2.91Å; L918-T921 PolarHBondContact O-OG1 2.89Å; L918-T922 PolarHBondContact O-N 2.89Å; L918-T922 PolarHBondContact O-OG1 2.89Å | ||
| 919 | R | 42 | Very low | 48.7 | Very low | 208.25 Ų | 208.25 | 127.9 Ų | 127.9 | 79% | 0.786 | 67% | 0.669 | S | S | * | * | trans | -109.5 | 53.3 | 162.6 | -75.8 | 178.4 | 179 | -165.1 | -1.7 | 113.6 | N915 K916 T922 L923 | N915-R919 PolarHBondContact O-N 2.92Å; K916-R919 PolarHBondContact O-N 3.02Å; R919-T922 PolarHBondContact O-OG1 2.79Å; R919-L923 WeakPolarHBondContact O-CB 3.26Å; R919-L923 WeakPolarHBondContact O-CG 3.17Å; R919-L923 PolarHBondContact O-N 3.46Å | ||
| 920 | F | 45.5 | Very low | 50 | Low | 175.25 Ų | 175.25 | 124.5 Ų | 124.5 | 77% | 0.769 | 66% | 0.659 | S | S | * | * | trans | -134.6 | -6.1 | 162.8 | -108.5 | -75.8 | 0 | 0 | 0 | 114.2 | K916 H917 L918 T922 L923 T924 | K916-F920 PolarHBondContact O-N 3.26Å; H917-F920 PolarHBondContact O-N 3.01Å; L918-F920 VanDerWaalsContact C-N 3.33Å; L918-F920 PolarHBondContact O-N 3.01Å; F920-T922 PolarHBondContact O-N 3.18Å; F920-L923 PolarHBondContact O-N 3.11Å; F920-T924 HydrophobicContact CD1-CG2 4.21Å; F920-T924 WeakPolarHBondContact O-CG2 3.18Å; F920-T924 PolarHBondContact O-N 3.1Å; F920-T924 PolarHBondContact O-OG1 3Å | ||
| 921 | T | 54 | Low | 51 | Low | 90 Ų | 90 | 123.9 Ų | 123.9 | 55% | 0.552 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -80.9 | -0.2 | -178.7 | 46.5 | 0 | 0 | 0 | 0 | 113.8 | H917 L918 T924 I925 | H917-T921 PolarHBondContact O-N 3.17Å; H917-T921 PolarHBondContact O-OG1 3.26Å; H917-T921 VanDerWaalsContact O-OG1 3.14Å; L918-T921 WeakPolarHBondContact CA-OG1 3.39Å; L918-T921 PolarHBondContact O-N 2.91Å; L918-T921 PolarHBondContact O-OG1 2.89Å; T921-T924 WeakPolarHBondContact CA-OG1 3.05Å; T921-T924 PolarHBondContact O-OG1 3.01Å; T921-I925 WeakPolarHBondContact O-CB 3.02Å; T921-I925 WeakPolarHBondContact O-CD1 3.37Å; T921-I925 WeakPolarHBondContact O-CG1 3.18Å; T921-I925 PolarHBondContact O-N 3.21Å |
| 922 | T | 54.3 | Low | 52.2 | Low | 82.5 Ų | 82.5 | 125.9 Ų | 125.9 | 51% | 0.506 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -94.2 | -39.4 | 176.9 | 41 | 0 | 0 | 0 | 0 | 112.7 | L918 R919 F920 I925 I926 | L918-T922 PolarHBondContact O-N 2.89Å; L918-T922 PolarHBondContact O-OG1 2.89Å; R919-T922 PolarHBondContact O-OG1 2.79Å; F920-T922 PolarHBondContact O-N 3.18Å; T922-I925 PolarHBondContact O-N 3.05Å; T922-I926 WeakPolarHBondContact O-CB 3.24Å; T922-I926 WeakPolarHBondContact O-CD1 3.4Å; T922-I926 VanDerWaalsContact O-CG1 3.28Å; T922-I926 WeakPolarHBondContact O-CG1 3.19Å; T922-I926 PolarHBondContact O-N 3.14Å |
| 923 | L | 58.3 | Low | 52.9 | Low | 123 Ų | 123 | 123.9 Ų | 123.9 | 64% | 0.644 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -69.4 | -37 | -179.5 | -89.3 | 164.1 | 0 | 0 | 0 | 113.3 | R919 F920 I925 I926 A927 | R919-L923 WeakPolarHBondContact O-CB 3.26Å; R919-L923 WeakPolarHBondContact O-CG 3.17Å; R919-L923 PolarHBondContact O-N 3.46Å; F920-L923 PolarHBondContact O-N 3.11Å; L923-I925 VanDerWaalsContact C-N 3.29Å; L923-I925 PolarHBondContact O-N 3.18Å; L923-I926 PolarHBondContact O-N 3.12Å; L923-A927 VanDerWaalsContact O-CB 3.24Å; L923-A927 WeakPolarHBondContact O-CB 3.19Å; L923-A927 PolarHBondContact O-N 3.05Å; L923-A927 VanDerWaalsContact O-N 3.11Å |
| 924 | T | 62 | Low | 53.8 | Low | 85.25 Ų | 85.25 | 119.8 Ų | 119.8 | 52% | 0.523 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -69.9 | -33.1 | 177.7 | 48.2 | 0 | 0 | 0 | 0 | 112.8 | F920 T921 A927 L928 | F920-T924 HydrophobicContact CD1-CG2 4.21Å; F920-T924 WeakPolarHBondContact O-CG2 3.18Å; F920-T924 PolarHBondContact O-N 3.1Å; F920-T924 PolarHBondContact O-OG1 3Å; T921-T924 WeakPolarHBondContact CA-OG1 3.05Å; T921-T924 PolarHBondContact O-OG1 3.01Å; T924-A927 PolarHBondContact O-N 3.2Å; T924-L928 WeakPolarHBondContact O-CB 3.48Å; T924-L928 PolarHBondContact O-N 3.01Å |
| 925 | I | 63.7 | Low | 54.3 | Low | 100.75 Ų | 100.75 | 119.2 Ų | 119.2 | 52% | 0.517 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -70.4 | -42 | 175.3 | -65.6 | 170.6 | 0 | 0 | 0 | 110.7 | T921 T922 L923 A927 L928 L929 | T921-I925 WeakPolarHBondContact O-CB 3.02Å; T921-I925 WeakPolarHBondContact O-CD1 3.37Å; T921-I925 WeakPolarHBondContact O-CG1 3.18Å; T921-I925 PolarHBondContact O-N 3.21Å; T922-I925 PolarHBondContact O-N 3.05Å; L923-I925 VanDerWaalsContact C-N 3.29Å; L923-I925 PolarHBondContact O-N 3.18Å; I925-A927 VanDerWaalsContact C-N 3.34Å; I925-A927 PolarHBondContact O-N 3.06Å; I925-L928 PolarHBondContact O-N 2.96Å; I925-L929 HydrophobicContact CG2-CD1 4.04Å; I925-L929 WeakPolarHBondContact O-CB 3.4Å; I925-L929 WeakPolarHBondContact O-CG 3.42Å; I925-L929 PolarHBondContact O-N 3.21Å |
| 926 | I | 68.1 | Low | 54.7 | Low | 94 Ų | 94 | 119.6 Ų | 119.6 | 48% | 0.482 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.8 | -40.5 | 175.6 | -68.2 | 168 | 0 | 0 | 0 | 110.9 | T922 L923 L928 L929 L930 | T922-I926 WeakPolarHBondContact O-CB 3.24Å; T922-I926 WeakPolarHBondContact O-CD1 3.4Å; T922-I926 VanDerWaalsContact O-CG1 3.28Å; T922-I926 WeakPolarHBondContact O-CG1 3.19Å; T922-I926 PolarHBondContact O-N 3.14Å; L923-I926 PolarHBondContact O-N 3.12Å; I926-L928 PolarHBondContact O-N 2.75Å; I926-L929 PolarHBondContact O-N 3.06Å; I926-L930 HydrophobicContact CG2-CD1 4.06Å; I926-L930 WeakPolarHBondContact O-CB 3.4Å; I926-L930 PolarHBondContact O-N 3.23Å |
| 927 | A | 66.2 | Low | 54.8 | Low | 51.75 Ų | 51.75 | 114.5 Ų | 114.5 | 43% | 0.428 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -63.6 | -41.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L923 T924 I925 L929 L930 M931 | L923-A927 VanDerWaalsContact O-CB 3.24Å; L923-A927 WeakPolarHBondContact O-CB 3.19Å; L923-A927 PolarHBondContact O-N 3.05Å; L923-A927 VanDerWaalsContact O-N 3.11Å; T924-A927 PolarHBondContact O-N 3.2Å; I925-A927 VanDerWaalsContact C-N 3.34Å; I925-A927 PolarHBondContact O-N 3.06Å; A927-L929 PolarHBondContact O-N 2.9Å; A927-L930 PolarHBondContact O-N 3.1Å; A927-M931 WeakPolarHBondContact O-CB 3.42Å; A927-M931 VanDerWaalsContact O-CG 3.26Å; A927-M931 WeakPolarHBondContact O-CG 3.21Å; A927-M931 PolarHBondContact O-N 2.87Å |
| 928 | L | 63.6 | Low | 54.8 | Low | 121.5 Ų | 121.5 | 111.5 Ų | 111.5 | 64% | 0.636 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.8 | -39.7 | 175.2 | -102.3 | 142 | 0 | 0 | 0 | 112.5 | T924 I925 I926 M931 L932 | T924-L928 WeakPolarHBondContact O-CB 3.48Å; T924-L928 PolarHBondContact O-N 3.01Å; I925-L928 PolarHBondContact O-N 2.96Å; I926-L928 PolarHBondContact O-N 2.75Å; L928-M931 PolarHBondContact O-N 3.34Å; L928-L932 WeakPolarHBondContact O-CB 3.1Å; L928-L932 PolarHBondContact O-N 3.05Å |
| 929 | L | 65.1 | Low | 54.6 | Low | 111.5 Ų | 111.5 | 110.6 Ų | 110.6 | 58% | 0.584 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67.4 | -39 | 176.3 | -74.9 | 166.6 | 0 | 0 | 0 | 112.4 | I925 I926 A927 L932 A933 | I925-L929 HydrophobicContact CG2-CD1 4.04Å; I925-L929 WeakPolarHBondContact O-CB 3.4Å; I925-L929 WeakPolarHBondContact O-CG 3.42Å; I925-L929 PolarHBondContact O-N 3.21Å; I926-L929 PolarHBondContact O-N 3.06Å; A927-L929 PolarHBondContact O-N 2.9Å; L929-L932 PolarHBondContact O-N 2.76Å; L929-A933 VanDerWaalsContact O-CB 3.28Å; L929-A933 WeakPolarHBondContact O-CB 3.39Å; L929-A933 PolarHBondContact O-N 2.85Å |
| 930 | L | 62.2 | Low | 54.3 | Low | 106 Ų | 106 | 106.8 Ų | 106.8 | 56% | 0.555 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.8 | -40.3 | 173.7 | -86.3 | 161.3 | 0 | 0 | 0 | 112.4 | I926 A927 L932 A933 I934 | I926-L930 HydrophobicContact CG2-CD1 4.06Å; I926-L930 WeakPolarHBondContact O-CB 3.4Å; I926-L930 PolarHBondContact O-N 3.23Å; A927-L930 PolarHBondContact O-N 3.1Å; L930-L932 VanDerWaalsContact C-N 3.29Å; L930-L932 PolarHBondContact O-N 3.18Å; L930-A933 PolarHBondContact O-N 2.84Å; L930-I934 WeakPolarHBondContact O-CD1 3.45Å; L930-I934 VanDerWaalsContact O-CG1 3.28Å; L930-I934 WeakPolarHBondContact O-CG1 3.44Å; L930-I934 PolarHBondContact O-N 2.82Å |
| 931 | M | 60.4 | Low | 53.7 | Low | 128.75 Ų | 128.75 | 102.6 Ų | 102.6 | 63% | 0.634 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.8 | -33.6 | 175.3 | -70.6 | -63.6 | -66.9 | 0 | 0 | 112.3 | A927 L928 A933 I934 V935 | A927-M931 WeakPolarHBondContact O-CB 3.42Å; A927-M931 VanDerWaalsContact O-CG 3.26Å; A927-M931 WeakPolarHBondContact O-CG 3.21Å; A927-M931 PolarHBondContact O-N 2.87Å; L928-M931 PolarHBondContact O-N 3.34Å; M931-A933 VanDerWaalsContact C-N 3.34Å; M931-I934 PolarHBondContact O-N 3.27Å; M931-V935 WeakPolarHBondContact O-CB 3.45Å; M931-V935 VanDerWaalsContact O-CG2 3.29Å; M931-V935 WeakPolarHBondContact O-CG2 3.32Å; M931-V935 PolarHBondContact O-N 3.49Å |
| 932 | L | 57.8 | Low | 52.8 | Low | 104.25 Ų | 104.25 | 106 Ų | 106 | 55% | 0.546 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -70.9 | -33.5 | 173.3 | -133.4 | 73.2 | 0 | 0 | 0 | 112.2 | F4 L928 L929 L930 I934 V935 I936 | F4-L932 HydrophobicContact CE2-CD2 3.92Å; F4-L932 HydrophobicContact CZ-CD2 4.12Å; L928-L932 WeakPolarHBondContact O-CB 3.1Å; L928-L932 PolarHBondContact O-N 3.05Å; L929-L932 PolarHBondContact O-N 2.76Å; L930-L932 VanDerWaalsContact C-N 3.29Å; L930-L932 PolarHBondContact O-N 3.18Å; L932-I934 VanDerWaalsContact C-N 3.32Å; L932-I934 PolarHBondContact O-N 3.26Å; L932-V935 PolarHBondContact O-N 3.34Å; L932-I936 HydrophobicContact CD1-CD1 4.43Å; L932-I936 HydrophobicContact CD2-CD1 4.4Å; L932-I936 HydrophobicContact CG-CD1 3.88Å; L932-I936 WeakPolarHBondContact O-CB 3.27Å; L932-I936 WeakPolarHBondContact O-CD1 3.45Å; L932-I936 VanDerWaalsContact O-CG1 3.22Å; L932-I936 WeakPolarHBondContact O-CG1 3.36Å; L932-I936 PolarHBondContact O-N 3.09Å |
| 933 | A | 56.2 | Low | 51.6 | Low | 65.25 Ų | 65.25 | 105.8 Ų | 105.8 | 54% | 0.539 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -70.6 | -24.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L929 L930 M931 V935 I936 A937 | L929-A933 VanDerWaalsContact O-CB 3.28Å; L929-A933 WeakPolarHBondContact O-CB 3.39Å; L929-A933 PolarHBondContact O-N 2.85Å; L930-A933 PolarHBondContact O-N 2.84Å; M931-A933 VanDerWaalsContact C-N 3.34Å; A933-V935 VanDerWaalsContact C-N 3.28Å; A933-V935 PolarHBondContact O-N 2.86Å; A933-I936 PolarHBondContact O-N 3.23Å; A933-A937 WeakPolarHBondContact O-CB 3.05Å; A933-A937 PolarHBondContact O-N 3Å |
| 934 | I | 53.7 | Low | 50.3 | Low | 121.5 Ų | 121.5 | 105.1 Ų | 105.1 | 62% | 0.623 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -80.4 | -19.7 | -179.1 | -69.9 | 166.7 | 0 | 0 | 0 | 112.2 | L930 M931 L932 I936 A937 S938 | L930-I934 WeakPolarHBondContact O-CD1 3.45Å; L930-I934 VanDerWaalsContact O-CG1 3.28Å; L930-I934 WeakPolarHBondContact O-CG1 3.44Å; L930-I934 PolarHBondContact O-N 2.82Å; M931-I934 PolarHBondContact O-N 3.27Å; L932-I934 VanDerWaalsContact C-N 3.32Å; L932-I934 PolarHBondContact O-N 3.26Å; I934-I936 VanDerWaalsContact C-N 3.33Å; I934-I936 PolarHBondContact O-N 3.42Å; I934-A937 PolarHBondContact O-N 3.06Å; I934-S938 PolarHBondContact O-N 3.06Å; I934-S938 PolarHBondContact O-OG 2.84Å; I934-S938 VanDerWaalsContact O-OG 3.07Å |
| 935 | V | 49 | Very low | 49 | Very low | 115 Ų | 115 | 107.8 Ų | 107.8 | 70% | 0.697 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -86.6 | -15.2 | -176.2 | 176.2 | 0 | 0 | 0 | 0 | 113.4 | M931 L932 A933 | M931-V935 WeakPolarHBondContact O-CB 3.45Å; M931-V935 VanDerWaalsContact O-CG2 3.29Å; M931-V935 WeakPolarHBondContact O-CG2 3.32Å; M931-V935 PolarHBondContact O-N 3.49Å; L932-V935 PolarHBondContact O-N 3.34Å; A933-V935 VanDerWaalsContact C-N 3.28Å; A933-V935 PolarHBondContact O-N 2.86Å |
| 936 | I | 46.7 | Very low | 47.5 | Very low | 138.75 Ų | 138.75 | 109.8 Ų | 109.8 | 71% | 0.712 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -113.2 | 33.7 | -176.8 | -52.1 | 176.5 | 0 | 0 | 0 | 112.2 | L932 A933 I934 | L932-I936 HydrophobicContact CD1-CD1 4.43Å; L932-I936 HydrophobicContact CD2-CD1 4.4Å; L932-I936 HydrophobicContact CG-CD1 3.88Å; L932-I936 WeakPolarHBondContact O-CB 3.27Å; L932-I936 WeakPolarHBondContact O-CD1 3.45Å; L932-I936 VanDerWaalsContact O-CG1 3.22Å; L932-I936 WeakPolarHBondContact O-CG1 3.36Å; L932-I936 PolarHBondContact O-N 3.09Å; A933-I936 PolarHBondContact O-N 3.23Å; I934-I936 VanDerWaalsContact C-N 3.33Å; I934-I936 PolarHBondContact O-N 3.42Å |
| 937 | A | 41.9 | Very low | 45.7 | Very low | 81.75 Ų | 81.75 | 113 Ų | 113 | 68% | 0.676 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -140 | 85.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A933 I934 P939 | A933-A937 WeakPolarHBondContact O-CB 3.05Å; A933-A937 PolarHBondContact O-N 3Å; I934-A937 PolarHBondContact O-N 3.06Å; A937-P939 WeakPolarHBondContact O-CD 2.96Å |
| 938 | S | 38.9 | Very low | 44.2 | Very low | 110.25 Ų | 110.25 | 114.8 Ų | 114.8 | 77% | 0.771 | 68% | 0.684 | S | S | * | * | trans | -151.9 | 139.9 | 161.2 | -68.6 | 0 | 0 | 0 | 0 | 111.6 | I934 | I934-S938 PolarHBondContact O-N 3.06Å; I934-S938 PolarHBondContact O-OG 2.84Å; I934-S938 VanDerWaalsContact O-OG 3.07Å | ||
| 939 | P | 37.9 | Very low | 42.6 | Very low | 107.5 Ų | 107.5 | 117.8 Ų | 117.8 | 70% | 0.698 | 69% | 0.691 | S | S | * | * | trans | -105.7 | 163.3 | -161.8 | 39.8 | -35.2 | 0 | 0 | 0 | 115.3 | A937 | A937-P939 WeakPolarHBondContact O-CD 2.96Š| ||
| 940 | D | 36.1 | Very low | 41 | Very low | 128 Ų | 128 | 117.8 Ų | 117.8 | 68% | 0.684 | 70% | 0.701 | S | S | * | * | trans | 131.2 | 138.6 | 145.1 | -76.5 | -33.6 | 0 | 0 | 0 | 116.8 | T716 S717 | T716-D940 VanDerWaalsContact C-CG 3.49Å; T716-D940 VanDerWaalsContact C-OD1 3.3Å; T716-D940 VanDerWaalsContact CA-OD1 3.26Å; T716-D940 WeakPolarHBondContact CA-OD1 3.36Å; T716-D940 VanDerWaalsContact CA-OD2 3.25Å; T716-D940 WeakPolarHBondContact CA-OD2 3.35Å; T716-D940 PolarHBondContact N-OD2 2.86Å; S717-D940 PolarHBondContact N-OD1 3.01Å; S717-D940 PolarHBondContact N-OD2 2.9Å | ||
| 941 | S | 32.6 | Very low | 39.5 | Very low | 87.75 Ų | 87.75 | 121.9 Ų | 121.9 | 61% | 0.614 | 71% | 0.714 | S | S | * | * | trans | 124.3 | 148.6 | 154 | 128.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 942 | I | 33.8 | Very low | 38.2 | Very low | 162 Ų | 162 | 121.8 Ų | 121.8 | 83% | 0.831 | 72% | 0.721 | S | S | * | * | trans | 87.8 | 120.6 | 152.9 | -62.2 | 159.5 | 0 | 0 | 0 | 116.3 | ||||
| 943 | G | 30.6 | Very low | 36.9 | Very low | 76.75 Ų | 76.75 | 125.4 Ų | 125.4 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | trans | 173.6 | 95.5 | 140.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 944 | S | 30.4 | Very low | 35.8 | Very low | 109.75 Ų | 109.75 | 128.4 Ų | 128.4 | 77% | 0.767 | 75% | 0.747 | S | S | * | * | trans | -165.8 | 128.5 | 158.2 | -175.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 945 | L | 35 | Very low | 34.6 | Very low | 141.5 Ų | 141.5 | 127.5 Ų | 127.5 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | trans | -143.5 | 145.7 | 140.3 | -133.9 | 69.2 | 0 | 0 | 0 | 111.8 | E947 | L945-E947 HydrophobicContact CD2-CG 4.35Š| ||
| 946 | N | 31.3 | Very low | 33.7 | Very low | 142 Ų | 142 | 129.1 Ų | 129.1 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | trans | -164 | 163.3 | 133.4 | -85.6 | -22.7 | 0 | 0 | 0 | 115.3 | ||||
| 947 | E | 30.7 | Very low | 32.7 | Very low | 162.25 Ų | 162.25 | 131 Ų | 131 | 76% | 0.758 | 76% | 0.758 | S | S | * | * | trans | -10 | 144.9 | 173.4 | -63 | -173.6 | 117.1 | 0 | 0 | 118.2 | L945 K949 | L945-E947 HydrophobicContact CD2-CG 4.35Å; E947-K949 IonicContact OE1-NZ 2.8Å; E947-K949 PolarHBondContact OE1-NZ 3.11Å; E947-K949 IonicContact OE2-NZ 3.55Å; E947-K949 PolarHBondContact OE2-NZ 2.87Å | ||
| 948 | A | 33.9 | Very low | 32 | Very low | 89.75 Ų | 89.75 | 135.6 Ų | 135.6 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | 175.6 | 135.6 | 112.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 949 | K | 29.9 | Very low | 31.5 | Very low | 183.5 Ų | 183.5 | 138.7 Ų | 138.7 | 80% | 0.798 | 77% | 0.765 | S | S | * | * | trans | 53.9 | 129.3 | 152.5 | -87.8 | 174.6 | 178.3 | 152.2 | 0 | 117.9 | E947 | E947-K949 IonicContact OE1-NZ 2.8Å; E947-K949 PolarHBondContact OE1-NZ 3.11Å; E947-K949 IonicContact OE2-NZ 3.55Å; E947-K949 PolarHBondContact OE2-NZ 2.87Å | ||
| 950 | S | 31.9 | Very low | 31.1 | Very low | 111.75 Ų | 111.75 | 138.4 Ų | 138.4 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | 173.5 | 164.1 | 108.4 | 117.7 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 951 | K | 31.8 | Very low | 30.8 | Very low | 191.25 Ų | 191.25 | 139.3 Ų | 139.3 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | -147.2 | 145.7 | 167.3 | -78.6 | 172.7 | -178.7 | 174 | 0 | 115.3 | ||||
| 952 | T | 31.5 | Very low | 30.7 | Very low | 126.75 Ų | 126.75 | 142.5 Ų | 142.5 | 78% | 0.778 | 78% | 0.78 | S | S | * | * | trans | 123 | 139.1 | 161.8 | 40.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 953 | E | 32.2 | Very low | 30.7 | Very low | 180.75 Ų | 180.75 | 143.3 Ų | 143.3 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | -147.5 | 145.8 | 74.1 | -126.3 | 168.8 | -159.5 | 0 | 0 | 111.2 | |||||
| 954 | T | 32.4 | Very low | 30.8 | Very low | 128.75 Ų | 128.75 | 145.2 Ų | 145.2 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | -36 | 137.4 | 178.2 | 35 | 0 | 0 | 0 | 0 | 117.8 | I956 | T954-I956 PolarHBondContact O-N 2.88Š| ||
| 955 | S | 28.6 | Very low | 30.9 | Very low | 100.75 Ų | 100.75 | 148.9 Ų | 148.9 | 71% | 0.705 | 79% | 0.787 | S | S | * | * | trans | -160.7 | 129.7 | 175.1 | 61.1 | 0 | 0 | 0 | 0 | 113.7 | F957 | S955-F957 VanDerWaalsContact C-N 3.33Å; S955-F957 PolarHBondContact O-N 2.85Å | ||
| 956 | I | 29.4 | Very low | 30.8 | Very low | 150.25 Ų | 150.25 | 151 Ų | 151 | 77% | 0.771 | 79% | 0.79 | S | S | * | * | -146 | 124.7 | 74.9 | -61 | 164.1 | 0 | 0 | 0 | 109.6 | T954 F958 | T954-I956 PolarHBondContact O-N 2.88Å; I956-F958 HydrophobicContact CG2-CD2 3.64Å; I956-F958 HydrophobicContact CG2-CE2 3.65Å; I956-F958 PolarHBondContact O-N 2.79Å | |||
| 957 | F | 26.3 | Very low | 30.8 | Very low | 177.5 Ų | 177.5 | 152.5 Ų | 152.5 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -119.3 | 150.6 | 164.2 | -117.3 | -102.9 | 0 | 0 | 0 | 110.7 | S955 Q959 | S955-F957 VanDerWaalsContact C-N 3.33Å; S955-F957 PolarHBondContact O-N 2.85Å; F957-Q959 VanDerWaalsContact C-N 3.34Å; F957-Q959 PolarHBondContact O-N 2.9Å | ||
| 958 | F | 26.8 | Very low | 31.1 | Very low | 179.5 Ų | 179.5 | 149.3 Ų | 149.3 | 79% | 0.787 | 79% | 0.786 | S | S | * | * | trans | -107.4 | 123.7 | 159.5 | -98.5 | -79.5 | 0 | 0 | 0 | 111 | I956 S960 | I956-F958 HydrophobicContact CG2-CD2 3.64Å; I956-F958 HydrophobicContact CG2-CE2 3.65Å; I956-F958 PolarHBondContact O-N 2.79Å; F958-S960 PolarHBondContact O-N 3.12Å | ||
| 959 | Q | 29.4 | Very low | 31.2 | Very low | 175 Ų | 175 | 153.1 Ų | 153.1 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -132.6 | 126.7 | 167 | -147.9 | 173.1 | 5.5 | 0 | 0 | 112.3 | F957 N961 | F957-Q959 VanDerWaalsContact C-N 3.34Å; F957-Q959 PolarHBondContact O-N 2.9Å; Q959-N961 PolarHBondContact O-N 3.12Å; Q959-N961 VanDerWaalsContact O-N 3.08Å | ||
| 960 | S | 29.2 | Very low | 31.7 | Very low | 101.75 Ų | 101.75 | 151.9 Ų | 151.9 | 71% | 0.712 | 77% | 0.772 | S | S | * | * | trans | -99.7 | 140.6 | 178.8 | 55.5 | 0 | 0 | 0 | 0 | 113.2 | F958 D962 | F958-S960 PolarHBondContact O-N 3.12Å; S960-D962 WeakPolarHBondContact CB-OD2 3.03Å; S960-D962 PolarHBondContact O-N 3.35Å; S960-D962 PolarHBondContact OG-OD2 3.48Å | ||
| 961 | N | 30.1 | Very low | 32.1 | Very low | 147 Ų | 147 | 151.5 Ų | 151.5 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | trans | -139.6 | 126.8 | 170.1 | -99.1 | -10 | 0 | 0 | 0 | 112.8 | Q959 Q963 | Q959-N961 PolarHBondContact O-N 3.12Å; Q959-N961 VanDerWaalsContact O-N 3.08Å; N961-Q963 PolarHBondContact O-N 3.24Å; N961-Q963 VanDerWaalsContact O-N 3.13Å | ||
| 962 | D | 30.5 | Very low | 32.6 | Very low | 153.25 Ų | 153.25 | 145.1 Ų | 145.1 | 82% | 0.82 | 74% | 0.738 | S | S | * | * | trans | -83.2 | 126.5 | -176.8 | -93.7 | -46.2 | 0 | 0 | 0 | 112.6 | S960 | S960-D962 WeakPolarHBondContact CB-OD2 3.03Å; S960-D962 PolarHBondContact O-N 3.35Å; S960-D962 PolarHBondContact OG-OD2 3.48Å | ||
| 963 | Q | 33.9 | Very low | 33.1 | Very low | 179.25 Ų | 179.25 | 140.6 Ų | 140.6 | 84% | 0.838 | 71% | 0.709 | S | S | * | * | trans | -128.6 | 149.8 | 169.4 | -78.9 | -147.3 | -5.4 | 0 | 0 | 112.1 | N961 M965 | N961-Q963 PolarHBondContact O-N 3.24Å; N961-Q963 VanDerWaalsContact O-N 3.13Å; Q963-M965 PolarHBondContact O-N 3.33Å; Q963-M965 VanDerWaalsContact O-N 3.1Å | ||
| 964 | P | 32.1 | Very low | 33.5 | Very low | 117.25 Ų | 117.25 | 136.1 Ų | 136.1 | 76% | 0.761 | 69% | 0.687 | S | S | * | * | trans | -82.7 | 156.4 | -161.7 | 22.4 | -21.9 | 0 | 0 | 0 | 114.6 | K966 | P964-K966 PolarHBondContact O-N 3.28Å; P964-K966 VanDerWaalsContact O-N 3.17Å | ||
| 965 | M | 31.3 | Very low | 33.9 | Very low | 188 Ų | 188 | 130.9 Ų | 130.9 | 93% | 0.926 | 66% | 0.657 | S | S | * | * | trans | -48.9 | 130.2 | -177 | -90.6 | -177.7 | 169.6 | 0 | 0 | 114.8 | Q963 M967 | Q963-M965 PolarHBondContact O-N 3.33Å; Q963-M965 VanDerWaalsContact O-N 3.1Å; M965-M967 PolarHBondContact O-N 3.37Å | ||
| 966 | K | 33.6 | Very low | 34.4 | Very low | 185.25 Ų | 185.25 | 128.6 Ų | 128.6 | 81% | 0.805 | 64% | 0.637 | S | S | * | * | trans | -88.1 | 115.5 | 175.4 | -163.1 | 175.8 | -175.3 | 179.9 | 0 | 110.2 | P964 V968 | P964-K966 PolarHBondContact O-N 3.28Å; P964-K966 VanDerWaalsContact O-N 3.17Å; K966-V968 PolarHBondContact O-N 3.09Å | ||
| 967 | M | 30.7 | Very low | 34.7 | Very low | 172 Ų | 172 | 126.5 Ų | 126.5 | 85% | 0.847 | 63% | 0.626 | S | S | * | * | trans | -67.7 | 137.1 | 179.6 | -92.3 | -179.5 | 174.8 | 0 | 0 | 111.9 | M965 R969 | M965-M967 PolarHBondContact O-N 3.37Å; M967-R969 PolarHBondContact O-N 2.92Å | ||
| 968 | V | 38.1 | Very low | 35.1 | Very low | 95.5 Ų | 95.5 | 126.4 Ų | 126.4 | 58% | 0.579 | 62% | 0.621 | S | S | * | * | trans | -113.8 | 135.9 | 178.1 | -176.6 | 0 | 0 | 0 | 0 | 109.2 | K966 Y970 A1081 | K966-V968 PolarHBondContact O-N 3.09Å; V968-Y970 HydrophobicContact CB-CD2 4.38Å; V968-Y970 HydrophobicContact CB-CE2 3.73Å; V968-Y970 HydrophobicContact CG1-CD1 4.13Å; V968-Y970 HydrophobicContact CG1-CD2 4.19Å; V968-Y970 HydrophobicContact CG1-CE1 3.78Å; V968-Y970 HydrophobicContact CG1-CE2 3.63Å; V968-Y970 HydrophobicContact CG1-CG 4.25Å; V968-Y970 WeakPolarHBondContact O-CD2 3.14Å; V968-A1081 HydrophobicContact CG1-CB 3.37Å | ||
| 969 | R | 35.9 | Very low | 35.2 | Very low | 169.75 Ų | 169.75 | 125.9 Ų | 125.9 | 64% | 0.641 | 62% | 0.622 | S | S | * | * | trans | -102.7 | 133 | -176.8 | -69.2 | 177.3 | -153.6 | 158.7 | -3.4 | 111.2 | M967 W1033 E1082 | M967-R969 PolarHBondContact O-N 2.92Å; R969-W1033 HydrophobicContact CB-CH2 4.43Å; R969-E1082 WeakPolarHBondContact CD-OE1 3.48Å; R969-E1082 IonicContact NH1-OE1 3.07Å; R969-E1082 PolarHBondContact NH1-OE1 3.14Å; R969-E1082 PolarHBondContact O-N 2.93Å; R969-E1082 VanDerWaalsContact O-N 3.12Å | ||
| 970 | Y | 40.4 | Very low | 35.2 | Very low | 158 Ų | 158 | 122.9 Ų | 122.9 | 62% | 0.62 | 62% | 0.62 | S | S | * | * | trans | -139.7 | 141.9 | 168.9 | -63.8 | -74 | 0 | 0 | 0 | 110.8 | E55 V968 W1033 R1079 I1080 A1081 | E55-Y970 VanDerWaalsContact CD-OH 3.25Å; E55-Y970 HydrophobicContact CG-CD1 4.19Å; E55-Y970 HydrophobicContact CG-CE1 3.52Å; E55-Y970 VanDerWaalsContact OE1-CE1 3.24Å; E55-Y970 WeakPolarHBondContact OE1-CE1 3.19Å; E55-Y970 PolarHBondContact OE1-OH 3.22Å; E55-Y970 PolarHBondContact OE2-OH 3.48Å; V968-Y970 HydrophobicContact CB-CD2 4.38Å; V968-Y970 HydrophobicContact CB-CE2 3.73Å; V968-Y970 HydrophobicContact CG1-CD1 4.13Å; V968-Y970 HydrophobicContact CG1-CD2 4.19Å; V968-Y970 HydrophobicContact CG1-CE1 3.78Å; V968-Y970 HydrophobicContact CG1-CE2 3.63Å; V968-Y970 HydrophobicContact CG1-CG 4.25Å; V968-Y970 WeakPolarHBondContact O-CD2 3.14Å; Y970-W1033 VanDerWaalsContact O-CH2 3.25Å; Y970-W1033 WeakPolarHBondContact O-CH2 3.31Å; Y970-R1079 HydrophobicContact CD1-CB 4.17Å; Y970-I1080 CarbonylContact C-O 3.24Å; Y970-I1080 VanDerWaalsContact CA-O 3.3Å; Y970-I1080 WeakPolarHBondContact CA-O 3.42Å; Y970-A1081 HydrophobicContact CD1-CB 4.18Å; Y970-A1081 HydrophobicContact CE1-CB 4.02Å | ||
| 971 | N | 39.4 | Very low | 35.2 | Very low | 103.75 Ų | 103.75 | 127.8 Ų | 127.8 | 56% | 0.555 | 63% | 0.629 | S | S | * | * | trans | -113.4 | 129 | -176.6 | -59.6 | -9.3 | 0 | 0 | 0 | 111.6 | W1033 R1079 I1080 | N971-W1033 HydrophobicContact CB-CH2 3.99Å; N971-W1033 HydrophobicContact CB-CZ2 3.93Å; N971-W1033 WeakPolarHBondContact OD1-CH2 3.02Å; N971-R1079 WeakPolarHBondContact O-CA 3.23Å; N971-I1080 PolarHBondContact N-O 2.94Å; N971-I1080 PolarHBondContact O-N 3Å | ||
| 972 | V | 42.4 | Very low | 35.2 | Very low | 57.5 Ų | 57.5 | 124.5 Ų | 124.5 | 35% | 0.348 | 62% | 0.622 | S | S | . | * | trans | -147.6 | 136.5 | 163.5 | -157.5 | 0 | 0 | 0 | 0 | 111.6 | K974 T1031 V1078 R1079 A1081 | V972-K974 HydrophobicContact CG1-CG 4.32Å; V972-T1031 PolarHBondContact O-OG1 3.06Å; V972-T1031 VanDerWaalsContact O-OG1 3.11Å; V972-V1078 WeakPolarHBondContact CA-O 3.42Å; V972-R1079 HydrophobicContact CB-CB 3.64Å; V972-R1079 VanDerWaalsContact CG1-C 3.4Å; V972-R1079 HydrophobicContact CG1-CB 3.48Å; V972-R1079 HydrophobicContact CG1-CG 4.34Å; V972-R1079 VanDerWaalsContact CG1-O 3.29Å; V972-R1079 WeakPolarHBondContact CG1-O 3.37Å; V972-R1079 HydrophobicContact CG2-CB 4.18Å; V972-R1079 HydrophobicContact CG2-CG 4.19Å; V972-R1079 WeakPolarHBondContact CG2-O 3.11Å; V972-A1081 HydrophobicContact CB-CB 4.2Å; V972-A1081 HydrophobicContact CG2-CB 3.67Å | ||
| 973 | I | 43.1 | Very low | 35.2 | Very low | 32.75 Ų | 32.75 | 124.4 Ų | 124.4 | 17% | 0.168 | 62% | 0.621 | C | S | . | * | trans | -174.1 | 126.7 | 159.1 | -63.2 | 169.6 | 0 | 0 | 0 | 110.4 | H1029 V1030 T1031 V1078 R1079 I1080 I1091 R1128 | I973-H1029 PolarHBondContact N-CE1 3.35Å; I973-H1029 PolarHBondContact N-NE2 2.92Å; I973-H1029 CarbonylContact O-C 3.56Å; I973-H1029 PolarHBondContact O-CD2 3.15Å; I973-H1029 PolarHBondContact O-CE1 2.83Å; I973-H1029 VanDerWaalsContact O-CG 3.26Å; I973-H1029 PolarHBondContact O-ND1 3.46Å; I973-H1029 PolarHBondContact O-NE2 3.06Å; I973-V1030 VanDerWaalsContact CB-O 3.28Å; I973-V1030 WeakPolarHBondContact CB-O 3.35Å; I973-V1030 VanDerWaalsContact CG2-O 3.29Å; I973-V1030 WeakPolarHBondContact CG2-O 3.15Å; I973-V1030 CarbonylContact O-C 3.59Å; I973-V1030 PolarHBondContact O-N 3.06Å; I973-T1031 HydrophobicContact CG1-CG2 4.46Å; I973-T1031 PolarHBondContact N-OG1 2.96Å; I973-T1031 PolarHBondContact O-OG1 3.05Å; I973-V1078 HydrophobicContact CB-CB 4.38Å; I973-V1078 HydrophobicContact CD1-CG1 4.38Å; I973-V1078 HydrophobicContact CG1-CG1 4.42Å; I973-V1078 PolarHBondContact N-O 3.49Å; I973-V1078 PolarHBondContact O-N 3.19Å; I973-R1079 WeakPolarHBondContact CG1-O 3.39Å; I973-I1080 HydrophobicContact CD1-CD1 3.62Å; I973-I1080 HydrophobicContact CD1-CG1 4.37Å; I973-I1091 HydrophobicContact CD1-CD1 3.55Å; I973-I1091 HydrophobicContact CG2-CD1 4.34Å; I973-R1128 HydrophobicContact CG2-CG 4.4Å | ||
| 974 | K | 40.1 | Very low | 35.1 | Very low | 86.25 Ų | 86.25 | 122.5 Ų | 122.5 | 38% | 0.375 | 62% | 0.622 | S | S | . | * | trans | -112.8 | 138.3 | -174.1 | -133 | -173.6 | 170.8 | -141.5 | 0 | 112.1 | V972 N976 F1027 H1029 E1077 | V972-K974 HydrophobicContact CG1-CG 4.32Å; K974-N976 PolarHBondContact O-N 2.92Å; K974-F1027 HydrophobicContact CG-CD1 4.44Å; K974-H1029 VanDerWaalsContact CG-CD2 3.49Å; K974-H1029 WeakPolarHBondContact CG-CD2 3.45Å; K974-E1077 HydrophobicContact CB-CB 4.1Å; K974-E1077 WeakPolarHBondContact CD-OE2 3.28Å; K974-E1077 WeakPolarHBondContact CE-OE1 3.43Å; K974-E1077 WeakPolarHBondContact CE-OE2 3.4Å; K974-E1077 HydrophobicContact CG-CG 4.36Å; K974-E1077 PolarHBondContact N-O 2.8Å; K974-E1077 IonicContact NZ-OE1 3.37Å; K974-E1077 PolarHBondContact NZ-OE1 3.35Å; K974-E1077 IonicContact NZ-OE2 3.31Å; K974-E1077 PolarHBondContact NZ-OE2 3.17Å; K974-E1077 WeakPolarHBondContact O-CA 3.5Å; K974-E1077 WeakPolarHBondContact O-CB 3.33Å; K974-E1077 PolarHBondContact O-N 3.24Å | ||
| 975 | A | 40.8 | Very low | 35 | Very low | 19.25 Ų | 19.25 | 121 Ų | 121 | 16% | 0.159 | 62% | 0.62 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.9 | 153.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I977 F1027 V1028 V1030 G1075 T1076 | A975-I977 VanDerWaalsContact C-N 3.26Å; A975-I977 HydrophobicContact CB-CG1 4.14Å; A975-I977 PolarHBondContact O-N 2.74Å; A975-F1027 WeakPolarHBondContact O-CA 3.3Å; A975-V1028 CarbonylContact C-O 3.53Å; A975-V1028 VanDerWaalsContact C-O 3.28Å; A975-V1028 VanDerWaalsContact CA-O 3.28Å; A975-V1028 WeakPolarHBondContact CA-O 3.36Å; A975-V1028 WeakPolarHBondContact CB-O 3.33Å; A975-V1028 PolarHBondContact N-O 2.62Å; A975-V1028 PolarHBondContact O-N 2.8Å; A975-V1030 HydrophobicContact CB-CG2 4.27Å; A975-G1075 VanDerWaalsContact CB-C 3.46Å; A975-G1075 WeakPolarHBondContact CB-O 3.49Å; A975-T1076 HydrophobicContact CB-CG2 4.09Å |
| 976 | N | 38.5 | Very low | 35.1 | Very low | 52.75 Ų | 52.75 | 117.4 Ų | 117.4 | 28% | 0.282 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.3 | 119.3 | 177 | -163.7 | 28.6 | 0 | 0 | 0 | 109.6 | K974 Y978 S1025 Q1026 F1027 K1169 | K974-N976 PolarHBondContact O-N 2.92Å; N976-Y978 VanDerWaalsContact ND2-CE2 3.28Å; N976-Y978 WeakPolarHBondContact ND2-CE2 3.36Å; N976-Y978 WeakPolarHBondContact O-CD2 3.3Å; N976-Y978 PolarHBondContact O-N 2.82Å; N976-S1025 WeakPolarHBondContact ND2-CB 3.47Å; N976-S1025 PolarHBondContact ND2-OG 2.63Å; N976-S1025 WeakPolarHBondContact OD1-CB 3.39Å; N976-S1025 PolarHBondContact OD1-OG 3.33Å; N976-Q1026 PolarHBondContact OD1-O 3.39Å; N976-F1027 HydrophobicContact CB-CD1 4.16Å; N976-F1027 HydrophobicContact CB-CE1 3.94Å; N976-F1027 WeakPolarHBondContact ND2-CE1 3.08Å; N976-F1027 WeakPolarHBondContact OD1-CD1 3.15Å; N976-F1027 WeakPolarHBondContact OD1-CE1 3.42Å; N976-K1169 PolarHBondContact OD1-NZ 2.87Å |
| 977 | I | 36.5 | Very low | 35 | Very low | 104.75 Ų | 104.75 | 114.3 Ų | 114.3 | 54% | 0.537 | 61% | 0.607 | S | S | . | * | trans | -99.7 | 110.9 | -178.8 | -58.1 | -175.8 | 0 | 0 | 0 | 109.6 | A975 Q979 Q1026 V1028 | A975-I977 VanDerWaalsContact C-N 3.26Å; A975-I977 HydrophobicContact CB-CG1 4.14Å; A975-I977 PolarHBondContact O-N 2.74Å; I977-Q979 PolarHBondContact O-N 2.94Å; I977-Q1026 PolarHBondContact N-O 3.19Å; I977-V1028 HydrophobicContact CB-CG2 4.45Å; I977-V1028 HydrophobicContact CD1-CB 4.2Å; I977-V1028 HydrophobicContact CD1-CG1 4.46Å; I977-V1028 HydrophobicContact CD1-CG2 3.64Å; I977-V1028 VanDerWaalsContact CD1-CG2 3.48Å; I977-V1028 HydrophobicContact CG1-CB 4.38Å; I977-V1028 HydrophobicContact CG1-CG2 3.98Å | ||
| 978 | Y | 33.5 | Very low | 35.1 | Very low | 175 Ų | 175 | 113.3 Ų | 113.3 | 69% | 0.686 | 60% | 0.603 | S | S | * | * | trans | -85.3 | 115.8 | 165 | -91.1 | -84.5 | 0 | 0 | 0 | 109.7 | N976 S980 | N976-Y978 VanDerWaalsContact ND2-CE2 3.28Å; N976-Y978 WeakPolarHBondContact ND2-CE2 3.36Å; N976-Y978 WeakPolarHBondContact O-CD2 3.3Å; N976-Y978 PolarHBondContact O-N 2.82Å; Y978-S980 VanDerWaalsContact C-N 3.35Å; Y978-S980 PolarHBondContact O-N 3.3Å | ||
| 979 | Q | 30.2 | Very low | 34.8 | Very low | 170 Ų | 170 | 115.1 Ų | 115.1 | 79% | 0.794 | 62% | 0.615 | S | S | * | * | trans | -72.2 | 131.1 | 164.8 | -71.9 | -174.6 | -19.3 | 0 | 0 | 109.5 | I977 K981 | I977-Q979 PolarHBondContact O-N 2.94Å; Q979-K981 PolarHBondContact O-N 3.09Å; Q979-K981 VanDerWaalsContact O-N 3.09Å | ||
| 980 | S | 28.9 | Very low | 34.5 | Very low | 112.25 Ų | 112.25 | 110.3 Ų | 110.3 | 79% | 0.785 | 62% | 0.618 | S | S | * | * | trans | -77.4 | 123.7 | 174.1 | 163.9 | 0 | 0 | 0 | 0 | 110.5 | Y978 A982 | Y978-S980 VanDerWaalsContact C-N 3.35Å; Y978-S980 PolarHBondContact O-N 3.3Å; S980-A982 VanDerWaalsContact C-N 3.29Å; S980-A982 PolarHBondContact O-N 2.83Å; S980-A982 PolarHBondContact OG-N 3.18Å | ||
| 981 | K | 29.3 | Very low | 34 | Very low | 204.25 Ų | 204.25 | 112.5 Ų | 112.5 | 89% | 0.888 | 63% | 0.631 | S | S | * | * | trans | -111.2 | 109.9 | 156.9 | -92.9 | -176.5 | 175 | -176.3 | 0 | 108.6 | Q979 N983 | Q979-K981 PolarHBondContact O-N 3.09Å; Q979-K981 VanDerWaalsContact O-N 3.09Å; K981-N983 PolarHBondContact O-N 2.96Å | ||
| 982 | A | 29.2 | Very low | 33.6 | Very low | 77.25 Ų | 77.25 | 112.4 Ų | 112.4 | 64% | 0.638 | 64% | 0.639 | S | S | * | * | trans | -84 | 132.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | S980 T984 | S980-A982 VanDerWaalsContact C-N 3.29Å; S980-A982 PolarHBondContact O-N 2.83Å; S980-A982 PolarHBondContact OG-N 3.18Å; A982-T984 PolarHBondContact O-N 2.97Å; A982-T984 VanDerWaalsContact O-N 3.08Å | ||
| 983 | N | 30.5 | Very low | 33.1 | Very low | 151 Ų | 151 | 114.4 Ų | 114.4 | 81% | 0.807 | 66% | 0.655 | S | S | * | * | trans | 90.9 | 127.7 | 156.7 | -69.1 | -12.9 | 0 | 0 | 0 | 113.4 | K981 A985 | K981-N983 PolarHBondContact O-N 2.96Å; N983-A985 PolarHBondContact O-N 3.47Å | ||
| 984 | T | 32.5 | Very low | 32.5 | Very low | 139 Ų | 139 | 120.1 Ų | 120.1 | 85% | 0.853 | 69% | 0.686 | S | S | * | * | -119.3 | 119.4 | 128.2 | 25.3 | 0 | 0 | 0 | 0 | 112.7 | A982 | A982-T984 PolarHBondContact O-N 2.97Å; A982-T984 VanDerWaalsContact O-N 3.08Å | |||
| 985 | A | 30.5 | Very low | 32.2 | Very low | 87.25 Ų | 87.25 | 121.9 Ų | 121.9 | 72% | 0.721 | 70% | 0.703 | S | S | * | * | trans | -79.5 | 169.7 | 157.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | N983 T987 | N983-A985 PolarHBondContact O-N 3.47Å; A985-T987 PolarHBondContact O-N 3.48Å | ||
| 986 | P | 33.6 | Very low | 31.9 | Very low | 112.5 Ų | 112.5 | 126 Ų | 126 | 73% | 0.731 | 73% | 0.729 | S | S | * | * | cis | -128.9 | 165.3 | 48.5 | 32.3 | -16.1 | 0 | 0 | 0 | 114.2 | I988 | P986-I988 PolarHBondContact O-N 2.89Š| ||
| 987 | T | 30.4 | Very low | 31.6 | Very low | 120.5 Ų | 120.5 | 132.1 Ų | 132.1 | 74% | 0.739 | 76% | 0.755 | S | S | * | * | trans | 78.9 | 120.2 | 152.9 | -6.4 | 0 | 0 | 0 | 0 | 118.2 | A985 T989 | A985-T987 PolarHBondContact O-N 3.48Å; T987-T989 HydrophobicContact CG2-CG2 4.35Å; T987-T989 PolarHBondContact O-N 3.04Å | ||
| 988 | I | 32.3 | Very low | 31.4 | Very low | 149.25 Ų | 149.25 | 131.7 Ų | 131.7 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | 138.6 | 122 | 124 | -66.5 | 171.9 | 0 | 0 | 0 | 116.4 | P986 | P986-I988 PolarHBondContact O-N 2.89Š| |||
| 989 | T | 32.5 | Very low | 31.5 | Very low | 135 Ų | 135 | 127.7 Ų | 127.7 | 83% | 0.828 | 76% | 0.759 | S | S | * | * | trans | 32.8 | 133.2 | 158.5 | 57.5 | 0 | 0 | 0 | 0 | 118.9 | T987 | T987-T989 HydrophobicContact CG2-CG2 4.35Å; T987-T989 PolarHBondContact O-N 3.04Å | ||
| 990 | G | 30 | Very low | 31.7 | Very low | 68.25 Ų | 68.25 | 126.1 Ų | 126.1 | 70% | 0.704 | 76% | 0.756 | S | S | * | * | trans | 178.7 | 100.7 | 147.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 991 | F | 30.3 | Very low | 31.9 | Very low | 203.75 Ų | 203.75 | 128.4 Ų | 128.4 | 89% | 0.894 | 75% | 0.752 | S | S | * | * | trans | 59.4 | 131.7 | 162.3 | -102.3 | -103.8 | 0 | 0 | 0 | 118.4 | ||||
| 992 | S | 31.1 | Very low | 32.1 | Very low | 102.25 Ų | 102.25 | 125.7 Ų | 125.7 | 72% | 0.715 | 74% | 0.743 | S | S | * | * | trans | 61.2 | 132.2 | 135.9 | -66.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 993 | S | 30.3 | Very low | 32.3 | Very low | 99.25 Ų | 99.25 | 127 Ų | 127 | 69% | 0.694 | 75% | 0.747 | S | S | * | * | cis | 175.5 | 142 | 44.4 | -164.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 994 | L | 31 | Very low | 32.5 | Very low | 153.25 Ų | 153.25 | 129 Ų | 129 | 80% | 0.802 | 75% | 0.748 | S | S | * | * | trans | 66.1 | 133.9 | 146 | -75.7 | 163.1 | 0 | 0 | 0 | 119.2 | ||||
| 995 | V | 33.5 | Very low | 32.5 | Very low | 123.5 Ų | 123.5 | 128 Ų | 128 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | 87.7 | 147 | 119.8 | -165.7 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 996 | P | 35.8 | Very low | 32.7 | Very low | 106 Ų | 106 | 132.1 Ų | 132.1 | 69% | 0.688 | 75% | 0.747 | S | S | * | * | cis | -126.2 | -174 | 17.9 | 32.2 | -12.1 | 0 | 0 | 0 | 115.3 | ||||
| 997 | E | 32.5 | Very low | 32.7 | Very low | 180 Ų | 180 | 133 Ų | 133 | 84% | 0.841 | 75% | 0.745 | S | S | * | * | trans | 140.4 | -179.8 | 139.8 | -112.5 | 176.5 | 171.9 | 0 | 0 | 116.6 | S999 | E997-S999 WeakPolarHBondContact OE1-CB 3.44Š| ||
| 998 | S | 32.5 | Very low | 32.8 | Very low | 95.5 Ų | 95.5 | 135.5 Ų | 135.5 | 67% | 0.668 | 75% | 0.745 | S | S | * | * | cis | -158 | 162.6 | -41.4 | 76.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 999 | S | 34.2 | Very low | 32.9 | Very low | 91.25 Ų | 91.25 | 135.2 Ų | 135.2 | 64% | 0.638 | 75% | 0.746 | S | S | * | * | trans | 99.3 | 146 | 142.1 | 76.4 | 0 | 0 | 0 | 0 | 118 | E997 | E997-S999 WeakPolarHBondContact OE1-CB 3.44Š| ||
| 1000 | N | 33.8 | Very low | 32.9 | Very low | 136.5 Ų | 136.5 | 134.2 Ų | 134.2 | 73% | 0.73 | 74% | 0.744 | S | S | * | * | trans | 86.9 | 131.6 | 144.5 | -76.7 | -32.6 | 0 | 0 | 0 | 120.5 | ||||
| 1001 | K | 34.4 | Very low | 33.1 | Very low | 161.6 Ų | 161.6 | 138.4 Ų | 138.4 | 70% | 0.703 | 75% | 0.749 | S | S | * | * | 92.3 | 136.6 | 125.2 | -84.9 | 176.8 | 168.5 | -112.8 | 0 | 118.9 | |||||
| 1002 | E | 33 | Very low | 33.2 | Very low | 147.8 Ų | 147.8 | 135.5 Ų | 135.5 | 69% | 0.691 | 74% | 0.742 | S | S | * | * | 64.7 | 127.3 | 109.9 | -78.3 | 169.2 | 150.1 | 0 | 0 | 118 | |||||
| 1003 | S | 33.1 | Very low | 33.3 | Very low | 104.6 Ų | 104.6 | 139.9 Ų | 139.9 | 73% | 0.731 | 75% | 0.749 | S | S | * | * | 160.4 | 147.6 | 70.9 | 59.3 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 1004 | K | 34.6 | Very low | 33.4 | Very low | 191 Ų | 191 | 140.5 Ų | 140.5 | 83% | 0.83 | 75% | 0.749 | S | S | * | * | trans | 76 | 123.1 | 141.7 | -83.2 | 177.4 | 179.7 | 173.2 | 0 | 117 | ||||
| 1005 | T | 32.9 | Very low | 33.6 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | 59.4 | 136.3 | 108.9 | 19.5 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1006 | Q | 34 | Very low | 33.6 | Very low | 171.4 Ų | 171.4 | 140.7 Ų | 140.7 | 80% | 0.801 | 75% | 0.746 | S | S | * | * | trans | 73.5 | 154.4 | 132.4 | -82.4 | -170.8 | 35.6 | 0 | 0 | 116.6 | ||||
| 1007 | L | 33.9 | Very low | 33.6 | Very low | 132.2 Ų | 132.2 | 142.3 Ų | 142.3 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | 165.3 | 139.9 | 52.3 | -140.4 | 73.3 | 0 | 0 | 0 | 116.1 | |||||
| 1008 | K | 33 | Very low | 33.5 | Very low | 172.6 Ų | 172.6 | 141.3 Ų | 141.3 | 75% | 0.75 | 75% | 0.75 | S | S | * | * | trans | 23.8 | 146.7 | 147 | -80.1 | 179.2 | 179.7 | 176.6 | 0 | 119 | ||||
| 1009 | N | 35.3 | Very low | 33.5 | Very low | 144.2 Ų | 144.2 | 144.4 Ų | 144.4 | 77% | 0.771 | 76% | 0.757 | S | S | * | * | 145.4 | 123.9 | 88.6 | -89.7 | 3.9 | 0 | 0 | 0 | 114.9 | |||||
| 1010 | S | 32.2 | Very low | 33.3 | Very low | 114.2 Ų | 114.2 | 148.8 Ų | 148.8 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | trans | 62.4 | 129.7 | 131.1 | -162.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1011 | L | 33.1 | Very low | 33.2 | Very low | 155.2 Ų | 155.2 | 147.3 Ų | 147.3 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | -159.5 | 147.6 | 167 | -155.3 | 70.4 | 0 | 0 | 0 | 113 | K1013 | L1011-K1013 HydrophobicContact CD2-CD 4.38Š| ||
| 1012 | L | 32.3 | Very low | 33 | Very low | 143.2 Ų | 143.2 | 145.8 Ų | 145.8 | 75% | 0.75 | 77% | 0.773 | S | S | * | * | trans | 17.7 | 136.4 | 164.1 | -80.8 | 82.8 | 0 | 0 | 0 | 115.9 | ||||
| 1013 | K | 33.5 | Very low | 33 | Very low | 193.8 Ų | 193.8 | 143.3 Ų | 143.3 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | 161.1 | 137.5 | 128.5 | -91.7 | 171.2 | -178.5 | 178.9 | 0 | 111.5 | L1011 | L1011-K1013 HydrophobicContact CD2-CD 4.38Š| |||
| 1014 | T | 33.4 | Very low | 33.2 | Very low | 113.2 Ų | 113.2 | 144.4 Ų | 144.4 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | trans | -170.2 | 137.6 | 177.8 | 48.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1015 | N | 33.9 | Very low | 33.5 | Very low | 148.2 Ų | 148.2 | 137.1 Ų | 137.1 | 79% | 0.793 | 75% | 0.747 | S | S | * | * | trans | -159.3 | 122.8 | 141.3 | -91.7 | 2.9 | 0 | 0 | 0 | 111.9 | ||||
| 1016 | N | 35 | Very low | 34.3 | Very low | 132.4 Ų | 132.4 | 137.4 Ų | 137.4 | 71% | 0.708 | 74% | 0.741 | S | S | * | * | trans | 17.2 | 124.8 | 136.4 | -73.7 | 7.4 | 0 | 0 | 0 | 116.2 | ||||
| 1017 | N | 34.3 | Very low | 35.2 | Very low | 138.4 Ų | 138.4 | 134.8 Ų | 134.8 | 74% | 0.74 | 73% | 0.727 | S | S | * | * | -80.9 | 133.7 | 118.6 | -61.9 | -36.8 | 0 | 0 | 0 | 115.2 | |||||
| 1018 | N | 31.9 | Very low | 36.3 | Very low | 161 Ų | 161 | 131.2 Ų | 131.2 | 86% | 0.861 | 71% | 0.71 | S | S | * | * | trans | -151.8 | 108.5 | 134.5 | -92.3 | -8.6 | 0 | 0 | 0 | 109.7 | E1020 | N1018-E1020 PolarHBondContact O-N 3.25Å; N1018-E1020 VanDerWaalsContact O-N 3.14Å | ||
| 1019 | L | 30.7 | Very low | 37.5 | Very low | 159 Ų | 159 | 127.6 Ų | 127.6 | 83% | 0.832 | 70% | 0.696 | S | S | * | * | trans | -103.9 | 96.2 | 165.7 | -175.1 | 65.1 | 0 | 0 | 0 | 109.3 | T1022 | L1019-T1022 WeakPolarHBondContact CD1-OG1 3.47Š| ||
| 1020 | E | 32 | Very low | 39 | Very low | 183.6 Ų | 183.6 | 123.6 Ų | 123.6 | 86% | 0.858 | 68% | 0.676 | S | S | * | * | trans | -85.8 | 130.4 | 169.1 | -148.7 | 168 | -150.9 | 0 | 0 | 110.1 | N1018 T1022 | N1018-E1020 PolarHBondContact O-N 3.25Å; N1018-E1020 VanDerWaalsContact O-N 3.14Å; E1020-T1022 PolarHBondContact O-N 3.29Å; E1020-T1022 VanDerWaalsContact O-N 3.08Å; E1020-T1022 PolarHBondContact O-OG1 2.9Å | ||
| 1021 | S | 30.7 | Very low | 40.7 | Very low | 106.6 Ų | 106.6 | 119.8 Ų | 119.8 | 75% | 0.745 | 65% | 0.648 | S | S | * | * | trans | -88.4 | 120.4 | -149.9 | 52.4 | 0 | 0 | 0 | 0 | 112.9 | S1023 | S1021-S1023 VanDerWaalsContact C-N 3.31Å; S1021-S1023 PolarHBondContact O-N 3.09Å | ||
| 1022 | T | 30.7 | Very low | 42.7 | Very low | 128.6 Ų | 128.6 | 116.2 Ų | 116.2 | 79% | 0.789 | 63% | 0.629 | S | S | * | * | trans | -73.4 | 87.7 | 173.9 | 16.5 | 0 | 0 | 0 | 0 | 113.4 | L1019 E1020 T1024 | L1019-T1022 WeakPolarHBondContact CD1-OG1 3.47Å; E1020-T1022 PolarHBondContact O-N 3.29Å; E1020-T1022 VanDerWaalsContact O-N 3.08Å; E1020-T1022 PolarHBondContact O-OG1 2.9Å; T1022-T1024 VanDerWaalsContact C-N 3.33Å; T1022-T1024 PolarHBondContact O-N 2.77Å | ||
| 1023 | S | 32.9 | Very low | 44.5 | Very low | 96 Ų | 96 | 115.9 Ų | 115.9 | 67% | 0.671 | 62% | 0.618 | S | S | * | * | trans | -65.6 | 99.6 | 159.3 | -178.3 | 0 | 0 | 0 | 0 | 111.3 | S1021 S1025 | S1021-S1023 VanDerWaalsContact C-N 3.31Å; S1021-S1023 PolarHBondContact O-N 3.09Å; S1023-S1025 VanDerWaalsContact C-N 3.31Å; S1023-S1025 PolarHBondContact O-N 3.2Å | ||
| 1024 | T | 36 | Very low | 46.4 | Very low | 128.2 Ų | 128.2 | 109.3 Ų | 109.3 | 79% | 0.787 | 59% | 0.592 | S | S | * | * | trans | -77.4 | 76 | 174.8 | 51.1 | 0 | 0 | 0 | 0 | 110.8 | T1022 Q1026 | T1022-T1024 VanDerWaalsContact C-N 3.33Å; T1022-T1024 PolarHBondContact O-N 2.77Å; T1024-Q1026 PolarHBondContact O-N 3.17Å; T1024-Q1026 VanDerWaalsContact O-N 3.08Å | ||
| 1025 | S | 41.5 | Very low | 48.4 | Very low | 37.6 Ų | 37.6 | 107 Ų | 107 | 26% | 0.263 | 58% | 0.578 | S | S | . | * | trans | -65 | 127.8 | 173.8 | 53.1 | 0 | 0 | 0 | 0 | 110.8 | E51 N976 S1023 F1027 | E51-S1025 WeakPolarHBondContact OE2-CB 3.39Å; E51-S1025 PolarHBondContact OE2-OG 2.04Å; N976-S1025 WeakPolarHBondContact ND2-CB 3.47Å; N976-S1025 PolarHBondContact ND2-OG 2.63Å; N976-S1025 WeakPolarHBondContact OD1-CB 3.39Å; N976-S1025 PolarHBondContact OD1-OG 3.33Å; S1023-S1025 VanDerWaalsContact C-N 3.31Å; S1023-S1025 PolarHBondContact O-N 3.2Å; S1025-F1027 VanDerWaalsContact O-CD2 3.24Å; S1025-F1027 WeakPolarHBondContact O-CD2 3.3Å; S1025-F1027 WeakPolarHBondContact O-CE2 3.32Å; S1025-F1027 PolarHBondContact O-N 3.19Å; S1025-F1027 WeakPolarHBondContact OG-CE1 3.49Å; S1025-F1027 VanDerWaalsContact OG-CZ 3.28Å; S1025-F1027 WeakPolarHBondContact OG-CZ 3.39Å | ||
| 1026 | Q | 49.4 | Very low | 50.2 | Low | 126.8 Ų | 126.8 | 108.3 Ų | 108.3 | 59% | 0.593 | 58% | 0.577 | S | S | * | * | trans | -78.6 | 105 | -178 | -69.5 | 178.7 | -10.3 | 0 | 0 | 110.4 | Y50 L75 E79 N976 I977 T1024 V1028 | Y50-Q1026 HydrophobicContact CD1-CB 4.31Å; L75-Q1026 HydrophobicContact CD1-CG 4.13Å; E79-Q1026 PolarHBondContact OE2-NE2 3.26Å; N976-Q1026 PolarHBondContact OD1-O 3.39Å; I977-Q1026 PolarHBondContact N-O 3.19Å; T1024-Q1026 PolarHBondContact O-N 3.17Å; T1024-Q1026 VanDerWaalsContact O-N 3.08Å; Q1026-V1028 PolarHBondContact O-N 3.1Å | ||
| 1027 | F | 52.8 | Low | 51.9 | Low | 115.2 Ų | 115.2 | 109.8 Ų | 109.8 | 51% | 0.505 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.7 | 128.1 | 176.4 | -64.8 | -81.3 | 0 | 0 | 0 | 111.2 | E51 T71 K974 A975 N976 S1025 | E51-F1027 HydrophobicContact CG-CD1 4.23Å; E51-F1027 HydrophobicContact CG-CD2 4.43Å; E51-F1027 HydrophobicContact CG-CE1 3.76Å; E51-F1027 HydrophobicContact CG-CE2 3.98Å; E51-F1027 HydrophobicContact CG-CZ 3.62Å; E51-F1027 CarbonylContact O-C 3.59Å; E51-F1027 WeakPolarHBondContact O-CA 3.3Å; E51-F1027 WeakPolarHBondContact OE1-CZ 3.07Å; T71-F1027 PolarHBondContact N-O 3.09Å; T71-F1027 WeakPolarHBondContact O-CB 3.39Å; T71-F1027 PolarHBondContact O-N 2.91Å; T71-F1027 VanDerWaalsContact O-N 3.15Å; T71-F1027 WeakPolarHBondContact OG1-CB 3.44Å; T71-F1027 PolarHBondContact OG1-O 3.39Å; K974-F1027 HydrophobicContact CG-CD1 4.44Å; A975-F1027 WeakPolarHBondContact O-CA 3.3Å; N976-F1027 HydrophobicContact CB-CD1 4.16Å; N976-F1027 HydrophobicContact CB-CE1 3.94Å; N976-F1027 WeakPolarHBondContact ND2-CE1 3.08Å; N976-F1027 WeakPolarHBondContact OD1-CD1 3.15Å; N976-F1027 WeakPolarHBondContact OD1-CE1 3.42Å; S1025-F1027 VanDerWaalsContact O-CD2 3.24Å; S1025-F1027 WeakPolarHBondContact O-CD2 3.3Å; S1025-F1027 WeakPolarHBondContact O-CE2 3.32Å; S1025-F1027 PolarHBondContact O-N 3.19Å; S1025-F1027 WeakPolarHBondContact OG-CE1 3.49Å; S1025-F1027 VanDerWaalsContact OG-CZ 3.28Å; S1025-F1027 WeakPolarHBondContact OG-CZ 3.39Å |
| 1028 | V | 56.9 | Low | 53.5 | Low | 58 Ų | 58 | 107.1 Ų | 107.1 | 35% | 0.352 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.5 | 119 | 175.5 | 179.3 | 0 | 0 | 0 | 0 | 109.2 | Y50 E51 G52 T53 V68 L81 L96 A975 I977 Q1026 V1030 | Y50-V1028 HydrophobicContact CD1-CG2 4.42Å; Y50-V1028 HydrophobicContact CD2-CG2 4.31Å; Y50-V1028 HydrophobicContact CG-CG2 3.87Å; E51-V1028 PolarHBondContact O-N 3.46Å; G52-V1028 WeakPolarHBondContact CA-O 3.29Å; T53-V1028 PolarHBondContact N-O 2.91Å; V68-V1028 HydrophobicContact CG1-CG1 3.55Å; L81-V1028 HydrophobicContact CD2-CG1 4.43Å; L81-V1028 HydrophobicContact CD2-CG2 4.41Å; L96-V1028 HydrophobicContact CD1-CG1 4.38Å; A975-V1028 CarbonylContact C-O 3.53Å; A975-V1028 VanDerWaalsContact C-O 3.28Å; A975-V1028 VanDerWaalsContact CA-O 3.28Å; A975-V1028 WeakPolarHBondContact CA-O 3.36Å; A975-V1028 WeakPolarHBondContact CB-O 3.33Å; A975-V1028 PolarHBondContact N-O 2.62Å; A975-V1028 PolarHBondContact O-N 2.8Å; I977-V1028 HydrophobicContact CB-CG2 4.45Å; I977-V1028 HydrophobicContact CD1-CB 4.2Å; I977-V1028 HydrophobicContact CD1-CG1 4.46Å; I977-V1028 HydrophobicContact CD1-CG2 3.64Å; I977-V1028 VanDerWaalsContact CD1-CG2 3.48Å; I977-V1028 HydrophobicContact CG1-CB 4.38Å; I977-V1028 HydrophobicContact CG1-CG2 3.98Å; Q1026-V1028 PolarHBondContact O-N 3.1Å; V1028-V1030 HydrophobicContact CG1-CG2 4.05Å; V1028-V1030 PolarHBondContact O-N 3.36Å |
| 1029 | H | 59.6 | Low | 55.2 | Low | 95.6 Ų | 95.6 | 100.7 Ų | 100.7 | 44% | 0.443 | 53% | 0.527 | S | S | . | . | trans | -97 | 99.6 | -177.4 | -163.4 | -93.3 | 0 | 0 | 0 | 110.7 | T53 N69 I973 K974 T1031 | T53-H1029 CarbonylContact O-C 3.44Å; T53-H1029 WeakPolarHBondContact O-CA 3.44Å; T53-H1029 PolarHBondContact OG1-CD2 3.23Å; N69-H1029 HydrophobicContact CB-CB 4.37Å; N69-H1029 PolarHBondContact N-O 3.25Å; N69-H1029 PolarHBondContact O-N 2.92Å; I973-H1029 PolarHBondContact N-CE1 3.35Å; I973-H1029 PolarHBondContact N-NE2 2.92Å; I973-H1029 CarbonylContact O-C 3.56Å; I973-H1029 PolarHBondContact O-CD2 3.15Å; I973-H1029 PolarHBondContact O-CE1 2.83Å; I973-H1029 VanDerWaalsContact O-CG 3.26Å; I973-H1029 PolarHBondContact O-ND1 3.46Å; I973-H1029 PolarHBondContact O-NE2 3.06Å; K974-H1029 VanDerWaalsContact CG-CD2 3.49Å; K974-H1029 WeakPolarHBondContact CG-CD2 3.45Å; H1029-T1031 PolarHBondContact CE1-OG1 3Å; H1029-T1031 VanDerWaalsContact CE1-OG1 3.22Å; H1029-T1031 PolarHBondContact ND1-OG1 2.83Å; H1029-T1031 VanDerWaalsContact ND1-OG1 3.15Å; H1029-T1031 PolarHBondContact O-N 2.94Å | ||
| 1030 | V | 67 | Low | 56.8 | Low | 60.2 Ų | 60.2 | 93.7 Ų | 93.7 | 37% | 0.365 | 49% | 0.491 | S | S | . | . | trans | -94.5 | 111.5 | -179.4 | -175.5 | 0 | 0 | 0 | 0 | 109.9 | L46 T53 V54 E55 I66 L67 V68 L96 I973 A975 V1028 I1032 | L46-V1030 HydrophobicContact CD2-CG1 4.2Å; T53-V1030 PolarHBondContact O-N 3.49Å; V54-V1030 CarbonylContact C-O 3.4Å; V54-V1030 WeakPolarHBondContact CA-O 3.16Å; V54-V1030 HydrophobicContact CG1-CB 4.44Å; V54-V1030 HydrophobicContact CG2-CB 4.28Å; V54-V1030 HydrophobicContact CG2-CG2 4.49Å; E55-V1030 PolarHBondContact N-O 2.67Å; I66-V1030 HydrophobicContact CG2-CG1 3.99Å; L67-V1030 CarbonylContact O-C 3.49Å; L67-V1030 WeakPolarHBondContact O-CA 3.31Å; V68-V1030 HydrophobicContact CG1-CG2 4.35Å; V68-V1030 HydrophobicContact CG2-CG1 4.32Å; V68-V1030 HydrophobicContact CG2-CG2 4.31Å; L96-V1030 HydrophobicContact CD1-CG2 4.12Å; I973-V1030 VanDerWaalsContact CB-O 3.28Å; I973-V1030 WeakPolarHBondContact CB-O 3.35Å; I973-V1030 VanDerWaalsContact CG2-O 3.29Å; I973-V1030 WeakPolarHBondContact CG2-O 3.15Å; I973-V1030 CarbonylContact O-C 3.59Å; I973-V1030 PolarHBondContact O-N 3.06Å; A975-V1030 HydrophobicContact CB-CG2 4.27Å; V1028-V1030 HydrophobicContact CG1-CG2 4.05Å; V1028-V1030 PolarHBondContact O-N 3.36Å; V1030-I1032 HydrophobicContact CG1-CG1 4.38Å | ||
| 1031 | T | 68 | Low | 58.1 | Low | 34.4 Ų | 34.4 | 89.1 Ų | 89.1 | 21% | 0.211 | 48% | 0.476 | C | S | . | . | trans | -107.2 | 115.2 | 177 | -55.2 | 0 | 0 | 0 | 0 | 110.6 | E55 I66 L67 V972 I973 H1029 W1033 | E55-T1031 HydrophobicContact CB-CG2 4.15Å; E55-T1031 HydrophobicContact CG-CG2 4.32Å; E55-T1031 CarbonylContact O-C 3.41Å; E55-T1031 WeakPolarHBondContact O-CA 3.44Å; I66-T1031 WeakPolarHBondContact CA-O 3.27Å; L67-T1031 PolarHBondContact N-O 2.68Å; L67-T1031 PolarHBondContact O-N 2.92Å; V972-T1031 PolarHBondContact O-OG1 3.06Å; V972-T1031 VanDerWaalsContact O-OG1 3.11Å; I973-T1031 HydrophobicContact CG1-CG2 4.46Å; I973-T1031 PolarHBondContact N-OG1 2.96Å; I973-T1031 PolarHBondContact O-OG1 3.05Å; H1029-T1031 PolarHBondContact CE1-OG1 3Å; H1029-T1031 VanDerWaalsContact CE1-OG1 3.22Å; H1029-T1031 PolarHBondContact ND1-OG1 2.83Å; H1029-T1031 VanDerWaalsContact ND1-OG1 3.15Å; H1029-T1031 PolarHBondContact O-N 2.94Å; T1031-W1033 HydrophobicContact CG2-CD2 4.34Å; T1031-W1033 HydrophobicContact CG2-CZ2 3.95Å | ||
| 1032 | I | 75.2 | Confident | 59.1 | Low | 80.2 Ų | 80.2 | 86.1 Ų | 86.1 | 41% | 0.411 | 46% | 0.461 | S | S | . | . | trans | -94.6 | 120 | 178.7 | -56.9 | 176.5 | 0 | 0 | 0 | 108.9 | L44 L46 E55 I56 S57 F64 I66 V1030 L1034 L1068 | L44-I1032 HydrophobicContact CD2-CG2 4.49Å; L46-I1032 HydrophobicContact CD2-CD1 4.44Å; E55-I1032 PolarHBondContact O-N 3.47Å; I56-I1032 HydrophobicContact CG1-CB 4.39Å; I56-I1032 HydrophobicContact CG1-CD1 4.31Å; I56-I1032 HydrophobicContact CG2-CB 4.29Å; I56-I1032 HydrophobicContact CG2-CG2 4.43Å; S57-I1032 PolarHBondContact N-O 2.58Å; F64-I1032 HydrophobicContact CE2-CG2 4.22Å; I66-I1032 HydrophobicContact CG1-CG1 4.38Å; I66-I1032 HydrophobicContact CG1-CG2 4.36Å; I66-I1032 HydrophobicContact CG2-CG1 4.29Å; V1030-I1032 HydrophobicContact CG1-CG1 4.38Å; I1032-L1034 HydrophobicContact CG2-CD2 4.37Å; I1032-L1034 HydrophobicContact CG2-CG 4.37Å; I1032-L1068 HydrophobicContact CD1-CD1 4.4Å | ||
| 1033 | W | 69 | Low | 59.9 | Low | 137.2 Ų | 137.2 | 87.3 Ų | 87.3 | 52% | 0.52 | 46% | 0.458 | S | S | . | . | trans | -99.4 | 117.8 | 179.4 | -63.5 | 78.1 | 0 | 0 | 0 | 110.7 | L26 S57 F64 Q65 L67 R969 Y970 N971 T1031 | L26-W1033 HydrophobicContact CD1-CZ3 4.46Å; S57-W1033 WeakPolarHBondContact O-CA 3.41Å; S57-W1033 PolarHBondContact OG-NE1 2.61Å; F64-W1033 WeakPolarHBondContact CA-O 3.25Å; F64-W1033 WeakPolarHBondContact CD2-O 3.42Å; Q65-W1033 HydrophobicContact CB-CE3 4.03Å; Q65-W1033 PolarHBondContact N-O 3.32Å; Q65-W1033 PolarHBondContact O-N 3.28Å; L67-W1033 HydrophobicContact CB-CH2 4.07Å; L67-W1033 HydrophobicContact CB-CZ3 3.9Å; L67-W1033 HydrophobicContact CD2-CH2 3.86Å; L67-W1033 HydrophobicContact CD2-CZ3 4.44Å; R969-W1033 HydrophobicContact CB-CH2 4.43Å; Y970-W1033 VanDerWaalsContact O-CH2 3.25Å; Y970-W1033 WeakPolarHBondContact O-CH2 3.31Å; N971-W1033 HydrophobicContact CB-CH2 3.99Å; N971-W1033 HydrophobicContact CB-CZ2 3.93Å; N971-W1033 WeakPolarHBondContact OD1-CH2 3.02Å; T1031-W1033 HydrophobicContact CG2-CD2 4.34Å; T1031-W1033 HydrophobicContact CG2-CZ2 3.95Å | ||
| 1034 | L | 73.1 | Confident | 60.3 | Low | 55.8 Ų | 55.8 | 87.8 Ų | 87.8 | 29% | 0.292 | 46% | 0.459 | S | S | . | . | trans | -106 | 131.1 | 177.5 | -64.8 | 174.5 | 0 | 0 | 0 | 110.7 | I56 S57 S59 F64 I1032 M1038 I1039 I1066 I1084 | I56-L1034 HydrophobicContact CG2-CD1 3.94Å; S57-L1034 PolarHBondContact O-N 3.21Å; S59-L1034 WeakPolarHBondContact CB-O 3.35Å; S59-L1034 PolarHBondContact N-O 2.93Å; F64-L1034 HydrophobicContact CD2-CD2 3.89Å; F64-L1034 HydrophobicContact CE2-CD2 3.76Å; I1032-L1034 HydrophobicContact CG2-CD2 4.37Å; I1032-L1034 HydrophobicContact CG2-CG 4.37Å; L1034-M1038 HydrophobicContact CB-CB 4.5Å; L1034-M1038 HydrophobicContact CD2-CE 4Å; L1034-M1038 HydrophobicContact CD2-CG 4.27Å; L1034-M1038 HydrophobicContact CD2-SD 4.4Å; L1034-I1039 HydrophobicContact CB-CG1 4.29Å; L1034-I1066 HydrophobicContact CD1-CD1 3.76Å; L1034-I1084 HydrophobicContact CD1-CD1 4.32Å | ||
| 1035 | P | 75.9 | Confident | 60.3 | Low | 63 Ų | 63 | 89.3 Ų | 89.3 | 41% | 0.409 | 46% | 0.462 | S | S | . | . | trans | -58.7 | 147.9 | 170 | -14.8 | 22.4 | 0 | 0 | 0 | 111.2 | D62 F64 K1037 M1038 I1039 | D62-P1035 WeakPolarHBondContact O-CB 3.49Å; D62-P1035 WeakPolarHBondContact OD1-CA 3.49Å; D62-P1035 VanDerWaalsContact OD1-CB 3.28Å; D62-P1035 WeakPolarHBondContact OD1-CB 3.42Å; F64-P1035 HydrophobicContact CB-CG 4.16Å; P1035-K1037 PolarHBondContact O-N 2.96Å; P1035-M1038 HydrophobicContact CB-CG 4.28Å; P1035-M1038 HydrophobicContact CB-SD 4.37Å; P1035-M1038 HydrophobicContact CG-CB 3.65Å; P1035-M1038 HydrophobicContact CG-CG 4.4Å; P1035-M1038 HydrophobicContact CG-SD 3.93Å; P1035-M1038 WeakPolarHBondContact O-CA 3.31Å; P1035-M1038 WeakPolarHBondContact O-CB 3.34Å; P1035-M1038 PolarHBondContact O-N 3.23Å; P1035-I1039 PolarHBondContact O-N 3.19Å | ||
| 1036 | K | 70.9 | Confident | 60.1 | Low | 177.2 Ų | 177.2 | 95.3 Ų | 95.3 | 77% | 0.77 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -28.3 | -178.9 | -135.4 | 179.5 | 177 | -178.7 | 0 | 113.7 | E58 D62 M1038 I1039 | E58-K1036 HydrophobicContact CG-CG 4.29Å; E58-K1036 WeakPolarHBondContact OE1-CE 3.41Å; E58-K1036 IonicContact OE1-NZ 3.68Å; D62-K1036 PolarHBondContact OD1-N 3.26Å; K1036-M1038 VanDerWaalsContact C-N 3.3Å; K1036-M1038 PolarHBondContact O-N 3.23Å; K1036-I1039 PolarHBondContact O-N 3.18Å |
| 1037 | K | 70.4 | Confident | 59.5 | Low | 164 Ų | 164 | 96.3 Ų | 96.3 | 71% | 0.713 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -7.7 | 176.5 | -59.7 | -173.6 | -179.7 | 170.9 | 0 | 114.6 | D62 P1035 T1062 | D62-K1037 IonicContact OD2-NZ 3.73Å; D62-K1037 PolarHBondContact OD2-NZ 2.63Å; P1035-K1037 PolarHBondContact O-N 2.96Å; K1037-T1062 VanDerWaalsContact O-CG2 3.28Å; K1037-T1062 WeakPolarHBondContact O-CG2 3.36Å |
| 1038 | M | 68.1 | Low | 58.7 | Low | 80.2 Ų | 80.2 | 99.8 Ų | 99.8 | 40% | 0.395 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -0.9 | -180 | -79.7 | 179.8 | 133.4 | 0 | 0 | 112.7 | W42 F64 L1034 P1035 K1036 P1040 P1063 | W42-M1038 HydrophobicContact CH2-CE 3.56Å; W42-M1038 HydrophobicContact CZ2-CE 3.78Å; F64-M1038 HydrophobicContact CB-SD 3.96Å; F64-M1038 HydrophobicContact CD1-CE 3.59Å; F64-M1038 HydrophobicContact CD1-SD 4.07Å; F64-M1038 HydrophobicContact CD2-CE 3.8Å; F64-M1038 HydrophobicContact CD2-SD 4.14Å; F64-M1038 HydrophobicContact CE1-CE 3.57Å; F64-M1038 HydrophobicContact CE2-CE 3.79Å; F64-M1038 HydrophobicContact CG-CE 3.72Å; F64-M1038 HydrophobicContact CG-SD 3.81Å; F64-M1038 HydrophobicContact CZ-CE 3.68Å; L1034-M1038 HydrophobicContact CB-CB 4.5Å; L1034-M1038 HydrophobicContact CD2-CE 4Å; L1034-M1038 HydrophobicContact CD2-CG 4.27Å; L1034-M1038 HydrophobicContact CD2-SD 4.4Å; P1035-M1038 HydrophobicContact CB-CG 4.28Å; P1035-M1038 HydrophobicContact CB-SD 4.37Å; P1035-M1038 HydrophobicContact CG-CB 3.65Å; P1035-M1038 HydrophobicContact CG-CG 4.4Å; P1035-M1038 HydrophobicContact CG-SD 3.93Å; P1035-M1038 WeakPolarHBondContact O-CA 3.31Å; P1035-M1038 WeakPolarHBondContact O-CB 3.34Å; P1035-M1038 PolarHBondContact O-N 3.23Å; K1036-M1038 VanDerWaalsContact C-N 3.3Å; K1036-M1038 PolarHBondContact O-N 3.23Å; M1038-P1040 WeakPolarHBondContact O-CD 3.47Å; M1038-P1063 HydrophobicContact CG-CG 4.42Å; M1038-P1063 WeakPolarHBondContact O-CD 3.44Å; M1038-P1063 VanDerWaalsContact O-CG 3.24Å; M1038-P1063 WeakPolarHBondContact O-CG 3.41Å |
| 1039 | I | 69.3 | Low | 57.7 | Low | 27.4 Ų | 27.4 | 102.3 Ų | 102.3 | 14% | 0.141 | 53% | 0.533 | C | S | . | . | S | Bend | trans | -77.7 | 127.6 | 170.4 | -62.8 | 175.1 | 0 | 0 | 0 | 107.8 | E58 L1034 P1035 K1036 T1041 P1083 I1084 | E58-I1039 HydrophobicContact CB-CD1 4.22Å; E58-I1039 HydrophobicContact CG-CD1 4.07Å; L1034-I1039 HydrophobicContact CB-CG1 4.29Å; P1035-I1039 PolarHBondContact O-N 3.19Å; K1036-I1039 PolarHBondContact O-N 3.18Å; I1039-T1041 PolarHBondContact O-N 3.1Å; I1039-T1041 VanDerWaalsContact O-N 3.15Å; I1039-P1083 HydrophobicContact CD1-CG 4.23Å; I1039-I1084 HydrophobicContact CD1-CD1 4.47Å; I1039-I1084 HydrophobicContact CD1-CG1 4.36Å; I1039-I1084 HydrophobicContact CG1-CD1 4.48Å; I1039-I1084 HydrophobicContact CG2-CG1 4.09Å |
| 1040 | P | 64.1 | Low | 56.8 | Low | 11.4 Ų | 11.4 | 103.3 Ų | 103.3 | 7% | 0.074 | 55% | 0.551 | C | S | . | * | trans | -64.7 | 102.9 | 173.4 | -11.6 | 20.3 | 0 | 0 | 0 | 110.6 | M1038 G1042 P1063 Q1064 I1066 | M1038-P1040 WeakPolarHBondContact O-CD 3.47Å; P1040-G1042 VanDerWaalsContact C-N 3.26Å; P1040-G1042 PolarHBondContact O-N 3.05Å; P1040-P1063 WeakPolarHBondContact CA-O 3.42Å; P1040-P1063 VanDerWaalsContact CB-O 3.29Å; P1040-P1063 WeakPolarHBondContact CB-O 3.29Å; P1040-P1063 WeakPolarHBondContact CG-O 3.31Å; P1040-Q1064 WeakPolarHBondContact CB-O 3.36Å; P1040-I1066 HydrophobicContact CG-CD1 4.17Å; P1040-I1066 HydrophobicContact CG-CG1 4.05Å | ||
| 1041 | T | 58.1 | Low | 55.3 | Low | 88.2 Ų | 88.2 | 106.6 Ų | 106.6 | 54% | 0.541 | 57% | 0.566 | S | S | . | * | trans | -73.6 | 69.7 | 172.2 | 48.5 | 0 | 0 | 0 | 0 | 109.5 | I1039 E1043 K1085 | I1039-T1041 PolarHBondContact O-N 3.1Å; I1039-T1041 VanDerWaalsContact O-N 3.15Å; T1041-E1043 PolarHBondContact O-N 2.98Å; T1041-K1085 VanDerWaalsContact O-CD 3.3Å; T1041-K1085 WeakPolarHBondContact O-CD 3.44Å; T1041-K1085 WeakPolarHBondContact O-CE 3.35Å; T1041-K1085 PolarHBondContact O-NZ 2.8Å | ||
| 1042 | G | 52 | Low | 53.7 | Low | 42.6 Ų | 42.6 | 115.2 Ų | 115.2 | 44% | 0.439 | 60% | 0.595 | S | S | . | * | trans | -58 | 60.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | P1040 K1085 | P1040-G1042 VanDerWaalsContact C-N 3.26Å; P1040-G1042 PolarHBondContact O-N 3.05Å; G1042-K1085 WeakPolarHBondContact O-CE 3.44Å; G1042-K1085 PolarHBondContact O-NZ 3.19Å | ||
| 1043 | E | 47.3 | Very low | 52.1 | Low | 154.4 Ų | 154.4 | 117 Ų | 117 | 72% | 0.721 | 61% | 0.606 | S | S | * | * | trans | -74.3 | 130.3 | 169 | -67.5 | 179.8 | 154.5 | 0 | 0 | 108.8 | T1041 K1085 | T1041-E1043 PolarHBondContact O-N 2.98Å; E1043-K1085 IonicContact OE1-NZ 3.06Å | ||
| 1044 | P | 41 | Very low | 50.7 | Low | 106 Ų | 106 | 119.1 Ų | 119.1 | 69% | 0.688 | 62% | 0.619 | S | S | * | * | trans | -71.5 | 139.2 | 172.4 | 30.6 | -32.7 | 0 | 0 | 0 | 109.6 | Q1046 | P1044-Q1046 VanDerWaalsContact C-N 3.27Å; P1044-Q1046 PolarHBondContact O-N 3.25Å | ||
| 1045 | N | 35.8 | Very low | 49.4 | Very low | 159.4 Ų | 159.4 | 123 Ų | 123 | 85% | 0.852 | 64% | 0.64 | S | S | * | * | trans | -70.7 | 110.7 | 169.4 | -66.7 | -38.7 | 0 | 0 | 0 | 109.4 | D1047 | N1045-D1047 VanDerWaalsContact C-N 3.29Å; N1045-D1047 PolarHBondContact O-N 3.28Å; N1045-D1047 VanDerWaalsContact O-N 3.16Å | ||
| 1046 | Q | 37.5 | Very low | 47.8 | Very low | 163.4 Ų | 163.4 | 129.1 Ų | 129.1 | 76% | 0.764 | 66% | 0.66 | S | S | * | * | trans | -120.1 | 109.3 | 169.7 | -90.6 | -179.7 | -27.5 | 0 | 0 | 109.1 | P1044 E1048 | P1044-Q1046 VanDerWaalsContact C-N 3.27Å; P1044-Q1046 PolarHBondContact O-N 3.25Å; Q1046-E1048 HydrophobicContact CG-CG 4.16Å; Q1046-E1048 PolarHBondContact NE2-OE1 2.89Å | ||
| 1047 | D | 37.5 | Very low | 46.3 | Very low | 147.6 Ų | 147.6 | 129.2 Ų | 129.2 | 79% | 0.789 | 66% | 0.66 | S | S | * | * | -131.2 | 125.5 | 117.5 | -71.5 | -37.5 | 0 | 0 | 0 | 115.7 | N1045 S1049 | N1045-D1047 VanDerWaalsContact C-N 3.29Å; N1045-D1047 PolarHBondContact O-N 3.28Å; N1045-D1047 VanDerWaalsContact O-N 3.16Å; D1047-S1049 VanDerWaalsContact C-N 3.27Å; D1047-S1049 PolarHBondContact O-N 2.98Å | |||
| 1048 | E | 36 | Very low | 45.1 | Very low | 189.4 Ų | 189.4 | 129.1 Ų | 129.1 | 89% | 0.885 | 66% | 0.662 | S | S | * | * | trans | -81.3 | 96.8 | -179.4 | -61.6 | -174.9 | 135.3 | 0 | 0 | 112.8 | Q1046 | Q1046-E1048 HydrophobicContact CG-CG 4.16Å; Q1046-E1048 PolarHBondContact NE2-OE1 2.89Å | ||
| 1049 | S | 36.4 | Very low | 44 | Very low | 111 Ų | 111 | 130.2 Ų | 130.2 | 78% | 0.776 | 68% | 0.675 | S | S | * | * | trans | -166.5 | 89 | 158.5 | 65.4 | 0 | 0 | 0 | 0 | 114.5 | D1047 | D1047-S1049 VanDerWaalsContact C-N 3.27Å; D1047-S1049 PolarHBondContact O-N 2.98Å | ||
| 1050 | S | 39.9 | Very low | 42.8 | Very low | 115.6 Ų | 115.6 | 135.2 Ų | 135.2 | 81% | 0.808 | 70% | 0.702 | S | S | * | * | trans | 176.1 | 80.6 | 165.1 | 65.3 | 0 | 0 | 0 | 0 | 115.7 | W1052 | S1050-W1052 PolarHBondContact O-N 3.22Š| ||
| 1051 | N | 36.1 | Very low | 42.4 | Very low | 129.6 Ų | 129.6 | 140.8 Ų | 140.8 | 69% | 0.693 | 73% | 0.731 | S | S | * | * | trans | -12.3 | 108.9 | 152.4 | -158.8 | 17.5 | 0 | 0 | 0 | 115.4 | L876 N1053 | L876-N1051 WeakPolarHBondContact CD2-ND2 3.43Å; N1051-N1053 PolarHBondContact O-N 3.02Å | ||
| 1052 | W | 34.6 | Very low | 42.1 | Very low | 215.2 Ų | 215.2 | 139.6 Ų | 139.6 | 82% | 0.815 | 72% | 0.723 | S | S | * | * | trans | -145.2 | 128.8 | 158.2 | -129.8 | -68.1 | 0 | 0 | 0 | 112.4 | S1050 K1054 | S1050-W1052 PolarHBondContact O-N 3.22Å; W1052-K1054 HydrophobicContact CG-CG 4.4Å; W1052-K1054 PolarHBondContact O-N 2.86Å; W1052-K1054 VanDerWaalsContact O-N 3.12Å | ||
| 1053 | N | 41.7 | Very low | 42.5 | Very low | 118.6 Ų | 118.6 | 139.5 Ų | 139.5 | 63% | 0.634 | 72% | 0.715 | S | S | * | * | trans | -146.6 | 107.8 | 131.2 | -89 | -29.6 | 0 | 0 | 0 | 115.2 | L878 N1051 N1055 | L878-N1053 WeakPolarHBondContact CD2-ND2 3.03Å; N1051-N1053 PolarHBondContact O-N 3.02Å; N1053-N1055 PolarHBondContact O-N 2.98Å; N1053-N1055 VanDerWaalsContact O-N 3.07Å | ||
| 1054 | K | 39.6 | Very low | 43.4 | Very low | 181.2 Ų | 181.2 | 140.2 Ų | 140.2 | 79% | 0.788 | 72% | 0.719 | S | S | * | * | trans | -58.4 | 93.5 | 163.7 | -64.8 | 170 | -177.3 | 168.9 | 0 | 113 | W1052 | W1052-K1054 HydrophobicContact CG-CG 4.4Å; W1052-K1054 PolarHBondContact O-N 2.86Å; W1052-K1054 VanDerWaalsContact O-N 3.12Å | ||
| 1055 | N | 45 | Very low | 45 | Very low | 138.2 Ų | 138.2 | 137.8 Ų | 137.8 | 74% | 0.739 | 70% | 0.702 | S | S | * | * | trans | -163.2 | 56.6 | 147.3 | -95.8 | -26.2 | 0 | 0 | 0 | 115.7 | H538 N1053 | H538-N1055 VanDerWaalsContact CG-O 3.26Å; H538-N1055 PolarHBondContact ND1-O 3.44Å; H538-N1055 VanDerWaalsContact ND1-O 3.15Å; N1053-N1055 PolarHBondContact O-N 2.98Å; N1053-N1055 VanDerWaalsContact O-N 3.07Å | ||
| 1056 | K | 43.6 | Very low | 47 | Very low | 190.4 Ų | 190.4 | 131.7 Ų | 131.7 | 83% | 0.828 | 67% | 0.669 | S | S | * | * | trans | -131.7 | 117.2 | 164.2 | -83.9 | 169.7 | -178.5 | 174.5 | 0 | 111.1 | Y539 Q1058 | Y539-K1056 HydrophobicContact CD2-CG 4.47Å; Y539-K1056 HydrophobicContact CE1-CB 4.29Å; Y539-K1056 HydrophobicContact CE2-CB 4.36Å; Y539-K1056 HydrophobicContact CE2-CD 4.48Å; Y539-K1056 HydrophobicContact CE2-CG 3.9Å; K1056-Q1058 VanDerWaalsContact C-N 3.29Å; K1056-Q1058 PolarHBondContact O-N 2.81Å; K1056-Q1058 VanDerWaalsContact O-N 3.15Å | ||
| 1057 | K | 38.9 | Very low | 49.1 | Very low | 179.6 Ų | 179.6 | 127.5 Ų | 127.5 | 78% | 0.781 | 65% | 0.649 | S | S | * | * | trans | -105.9 | 99.8 | 164.8 | -96.6 | 178.6 | 169.9 | -173.3 | 0 | 110.3 | Y539 L540 P541 | Y539-K1057 VanDerWaalsContact CD1-C 3.45Å; Y539-K1057 HydrophobicContact CD1-CB 4.19Å; Y539-K1057 VanDerWaalsContact CD1-O 3.31Å; Y539-K1057 WeakPolarHBondContact CD1-O 3.47Å; Y539-K1057 HydrophobicContact CG-CB 4.46Å; Y539-K1057 PolarHBondContact O-NZ 3.49Å; L540-K1057 CarbonylContact C-O 3.6Å; L540-K1057 WeakPolarHBondContact O-CB 3.46Å; L540-K1057 WeakPolarHBondContact O-CD 3.47Å; L540-K1057 WeakPolarHBondContact O-CE 3.1Å; L540-K1057 WeakPolarHBondContact O-CG 3.43Å; L540-K1057 PolarHBondContact O-NZ 2.83Å; L540-K1057 VanDerWaalsContact O-NZ 3.14Å; P541-K1057 VanDerWaalsContact CD-O 3.26Å; P541-K1057 WeakPolarHBondContact CD-O 3.32Å | ||
| 1058 | Q | 45.5 | Very low | 51.2 | Low | 162.6 Ų | 162.6 | 121.9 Ų | 121.9 | 76% | 0.76 | 62% | 0.619 | S | S | * | * | trans | -72.9 | 137.4 | 164.7 | -76 | -177.8 | -32.5 | 0 | 0 | 111.4 | Y539 P541 K1056 N1060 | Y539-Q1058 HydrophobicContact CE1-CB 4.5Å; Y539-Q1058 HydrophobicContact CE1-CG 3.81Å; P541-Q1058 VanDerWaalsContact CG-O 3.26Å; P541-Q1058 WeakPolarHBondContact CG-O 3.39Å; K1056-Q1058 VanDerWaalsContact C-N 3.29Å; K1056-Q1058 PolarHBondContact O-N 2.81Å; K1056-Q1058 VanDerWaalsContact O-N 3.15Å; Q1058-N1060 PolarHBondContact O-N 3.1Å | ||
| 1059 | P | 44.6 | Very low | 53.5 | Low | 101.8 Ų | 101.8 | 114.8 Ų | 114.8 | 66% | 0.661 | 58% | 0.584 | S | S | * | * | trans | -74.6 | 122.3 | 172.3 | 30.4 | -32.6 | 0 | 0 | 0 | 110.3 | P541 L1061 | P541-P1059 HydrophobicContact CB-CB 4.37Å; P541-P1059 HydrophobicContact CG-CB 4.27Å; P1059-L1061 VanDerWaalsContact C-N 3.33Å; P1059-L1061 HydrophobicContact CB-CD1 4.33Å; P1059-L1061 HydrophobicContact CG-CD1 3.99Å; P1059-L1061 WeakPolarHBondContact O-CD1 3.44Å; P1059-L1061 PolarHBondContact O-N 3.02Å; P1059-L1061 VanDerWaalsContact O-N 3.08Å | ||
| 1060 | N | 44.6 | Very low | 55.7 | Low | 133.4 Ų | 133.4 | 110.4 Ų | 110.4 | 71% | 0.713 | 55% | 0.552 | S | S | * | * | trans | -71.3 | 97.6 | 173.4 | -75.7 | -14.8 | 0 | 0 | 0 | 110 | Q1058 T1062 | Q1058-N1060 PolarHBondContact O-N 3.1Å; N1060-T1062 VanDerWaalsContact C-N 3.26Å; N1060-T1062 PolarHBondContact O-N 2.94Å; N1060-T1062 VanDerWaalsContact O-N 3.16Å | ||
| 1061 | L | 54.1 | Low | 57.6 | Low | 128.2 Ų | 128.2 | 107.2 Ų | 107.2 | 67% | 0.671 | 53% | 0.526 | S | S | * | . | trans | -93.2 | 21.7 | 179.9 | -115.1 | 71.5 | 0 | 0 | 0 | 112.8 | L33 L36 H543 P1059 | L33-L1061 HydrophobicContact CD2-CD2 4.35Å; L36-L1061 HydrophobicContact CD1-CG 4.38Å; H543-L1061 WeakPolarHBondContact NE2-CD1 3.36Å; P1059-L1061 VanDerWaalsContact C-N 3.33Å; P1059-L1061 HydrophobicContact CB-CD1 4.33Å; P1059-L1061 HydrophobicContact CG-CD1 3.99Å; P1059-L1061 WeakPolarHBondContact O-CD1 3.44Å; P1059-L1061 PolarHBondContact O-N 3.02Å; P1059-L1061 VanDerWaalsContact O-N 3.08Å | ||
| 1062 | T | 53.5 | Low | 59.5 | Low | 62.6 Ų | 62.6 | 107.4 Ų | 107.4 | 38% | 0.384 | 52% | 0.523 | S | S | . | . | trans | -80.7 | 127.6 | 172.1 | 43.1 | 0 | 0 | 0 | 0 | 110.6 | K1037 N1060 Q1064 | K1037-T1062 VanDerWaalsContact O-CG2 3.28Å; K1037-T1062 WeakPolarHBondContact O-CG2 3.36Å; N1060-T1062 VanDerWaalsContact C-N 3.26Å; N1060-T1062 PolarHBondContact O-N 2.94Å; N1060-T1062 VanDerWaalsContact O-N 3.16Å; T1062-Q1064 PolarHBondContact O-N 3.24Å | ||
| 1063 | P | 60.4 | Low | 61.3 | Low | 41.4 Ų | 41.4 | 102.1 Ų | 102.1 | 27% | 0.269 | 52% | 0.518 | S | S | . | . | trans | -68.1 | 140.4 | 169.7 | 29.5 | -33.5 | 0 | 0 | 0 | 110.1 | W42 M1038 P1040 T1065 | W42-P1063 HydrophobicContact CD2-CB 4.1Å; W42-P1063 HydrophobicContact CE3-CB 4.08Å; W42-P1063 HydrophobicContact CH2-CB 3.91Å; W42-P1063 HydrophobicContact CH2-CG 4.26Å; W42-P1063 HydrophobicContact CZ2-CB 3.9Å; W42-P1063 HydrophobicContact CZ2-CG 4.24Å; W42-P1063 HydrophobicContact CZ3-CB 4Å; W42-P1063 CarbonylContact O-C 3.5Å; W42-P1063 WeakPolarHBondContact O-CA 3.07Å; W42-P1063 WeakPolarHBondContact O-CB 3.43Å; M1038-P1063 HydrophobicContact CG-CG 4.42Å; M1038-P1063 WeakPolarHBondContact O-CD 3.44Å; M1038-P1063 VanDerWaalsContact O-CG 3.24Å; M1038-P1063 WeakPolarHBondContact O-CG 3.41Å; P1040-P1063 WeakPolarHBondContact CA-O 3.42Å; P1040-P1063 VanDerWaalsContact CB-O 3.29Å; P1040-P1063 WeakPolarHBondContact CB-O 3.29Å; P1040-P1063 WeakPolarHBondContact CG-O 3.31Å; P1063-T1065 VanDerWaalsContact C-N 3.25Å; P1063-T1065 PolarHBondContact O-N 3.29Å | ||
| 1064 | Q | 66 | Low | 62.7 | Low | 169.2 Ų | 169.2 | 97.7 Ų | 97.7 | 79% | 0.791 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -75.1 | -36.9 | -179.7 | -85.3 | 179.2 | -20.4 | 0 | 0 | 112.5 | W42 P1040 T1062 | W42-Q1064 PolarHBondContact O-N 2.93Å; P1040-Q1064 WeakPolarHBondContact CB-O 3.36Å; T1062-Q1064 PolarHBondContact O-N 3.24Å |
| 1065 | T | 73.8 | Confident | 64.1 | Low | 55.6 Ų | 55.6 | 91.5 Ų | 91.5 | 34% | 0.341 | 48% | 0.484 | S | S | . | . | trans | -143.5 | 159.8 | 178.1 | 65.7 | 0 | 0 | 0 | 0 | 111 | D43 L44 P1063 Q1067 S1088 H1090 | D43-T1065 WeakPolarHBondContact CA-O 3.45Å; D43-T1065 WeakPolarHBondContact OD1-CB 3.35Å; D43-T1065 PolarHBondContact OD1-N 2.87Å; D43-T1065 VanDerWaalsContact OD1-N 3.12Å; D43-T1065 PolarHBondContact OD1-OG1 2.9Å; L44-T1065 PolarHBondContact N-O 3.14Å; P1063-T1065 VanDerWaalsContact C-N 3.25Å; P1063-T1065 PolarHBondContact O-N 3.29Å; T1065-Q1067 PolarHBondContact OG1-NE2 3.42Å; T1065-S1088 CarbonylContact C-O 3.58Å; T1065-S1088 WeakPolarHBondContact CA-O 3.11Å; T1065-H1090 VanDerWaalsContact CB-CD2 3.49Å; T1065-H1090 WeakPolarHBondContact CB-CD2 3.06Å; T1065-H1090 VanDerWaalsContact CB-NE2 3.31Å; T1065-H1090 WeakPolarHBondContact CB-NE2 3.4Å; T1065-H1090 VanDerWaalsContact CG2-NE2 3.31Å; T1065-H1090 WeakPolarHBondContact CG2-NE2 3.25Å; T1065-H1090 PolarHBondContact OG1-CD2 3.04Å; T1065-H1090 VanDerWaalsContact OG1-CD2 3.32Å; T1065-H1090 PolarHBondContact OG1-NE2 2.63Å | ||
| 1066 | I | 78.8 | Confident | 65.4 | Low | 30.4 Ų | 30.4 | 85.5 Ų | 85.5 | 16% | 0.156 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 131.2 | 174.3 | -61.8 | 165.3 | 0 | 0 | 0 | 107.5 | L44 I56 L1034 P1040 L1068 S1088 I1089 H1090 | L44-I1066 HydrophobicContact CB-CG1 4.36Å; L44-I1066 HydrophobicContact CB-CG2 4.47Å; L44-I1066 HydrophobicContact CD2-CG2 4.36Å; L44-I1066 HydrophobicContact CG-CG2 4.49Å; L44-I1066 CarbonylContact O-C 3.46Å; L44-I1066 WeakPolarHBondContact O-CA 3.3Å; I56-I1066 HydrophobicContact CD1-CG2 4.16Å; I56-I1066 HydrophobicContact CG2-CD1 4.48Å; L1034-I1066 HydrophobicContact CD1-CD1 3.76Å; P1040-I1066 HydrophobicContact CG-CD1 4.17Å; P1040-I1066 HydrophobicContact CG-CG1 4.05Å; I1066-L1068 HydrophobicContact CG2-CD1 3.77Å; I1066-L1068 HydrophobicContact CG2-CD2 4.22Å; I1066-S1088 PolarHBondContact N-O 3.09Å; I1066-I1089 HydrophobicContact CB-CG1 4.01Å; I1066-I1089 HydrophobicContact CD1-CD1 4.47Å; I1066-I1089 HydrophobicContact CD1-CG1 4.15Å; I1066-I1089 HydrophobicContact CG2-CG1 4.26Å; I1066-I1089 CarbonylContact O-C 3.47Å; I1066-I1089 WeakPolarHBondContact O-CA 3.23Å; I1066-H1090 PolarHBondContact O-N 3.26Å |
| 1067 | Q | 80.5 | Confident | 66.8 | Low | 76.2 Ų | 76.2 | 79.6 Ų | 79.6 | 36% | 0.356 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 119.1 | 176.8 | -62.7 | -176.8 | -15.7 | 0 | 0 | 109.9 | D43 L44 I45 L46 T1065 H1090 Y1092 | D43-Q1067 VanDerWaalsContact CG-NE2 3.27Å; D43-Q1067 PolarHBondContact OD2-NE2 2.82Å; L44-Q1067 PolarHBondContact O-N 3.32Å; I45-Q1067 WeakPolarHBondContact CA-O 3.34Å; I45-Q1067 HydrophobicContact CG1-CB 4.29Å; L46-Q1067 PolarHBondContact N-O 2.89Å; T1065-Q1067 PolarHBondContact OG1-NE2 3.42Å; Q1067-H1090 CarbonylContact C-O 3.49Å; Q1067-H1090 WeakPolarHBondContact CA-O 3.09Å; Q1067-H1090 HydrophobicContact CG-CB 4.36Å; Q1067-Y1092 HydrophobicContact CB-CE2 4.38Å; Q1067-Y1092 HydrophobicContact CG-CE2 4.22Å |
| 1068 | L | 82.6 | Confident | 68.4 | Low | 29.4 Ų | 29.4 | 72.3 Ų | 72.3 | 15% | 0.154 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 122.3 | 175.3 | -132.6 | 87.9 | 0 | 0 | 0 | 109.2 | L46 V54 I56 I1032 I1066 L1070 V1078 I1089 H1090 I1091 Y1092 | L46-L1068 HydrophobicContact CB-CD2 3.82Å; L46-L1068 HydrophobicContact CD2-CD2 4.08Å; V54-L1068 HydrophobicContact CG1-CD1 4.16Å; V54-L1068 HydrophobicContact CG1-CD2 4.45Å; I56-L1068 HydrophobicContact CD1-CD1 4.26Å; I56-L1068 HydrophobicContact CD1-CD2 4.38Å; I1032-L1068 HydrophobicContact CD1-CD1 4.4Å; I1066-L1068 HydrophobicContact CG2-CD1 3.77Å; I1066-L1068 HydrophobicContact CG2-CD2 4.22Å; L1068-L1070 HydrophobicContact CB-CD2 4.44Å; L1068-L1070 HydrophobicContact CB-CG 4.35Å; L1068-L1070 HydrophobicContact CD2-CD1 4.23Å; L1068-L1070 HydrophobicContact CD2-CD2 4.19Å; L1068-L1070 HydrophobicContact CD2-CG 4.3Å; L1068-L1070 HydrophobicContact CG-CD2 4.23Å; L1068-L1070 HydrophobicContact CG-CG 4.34Å; L1068-V1078 HydrophobicContact CD1-CB 4.36Å; L1068-V1078 HydrophobicContact CD1-CG1 3.57Å; L1068-V1078 HydrophobicContact CD1-CG2 3.8Å; L1068-V1078 HydrophobicContact CD2-CB 4.4Å; L1068-V1078 HydrophobicContact CD2-CG1 3.87Å; L1068-V1078 HydrophobicContact CD2-CG2 3.7Å; L1068-I1089 HydrophobicContact CB-CG2 4.49Å; L1068-I1089 HydrophobicContact CD1-CG2 4.18Å; L1068-I1089 HydrophobicContact CG-CG2 4.44Å; L1068-H1090 PolarHBondContact N-O 3.12Å; L1068-I1091 HydrophobicContact CB-CG1 4.4Å; L1068-I1091 HydrophobicContact CB-CG2 4.39Å; L1068-I1091 HydrophobicContact CD1-CG1 4.25Å; L1068-I1091 HydrophobicContact CD2-CG1 4.43Å; L1068-I1091 CarbonylContact O-C 3.39Å; L1068-I1091 WeakPolarHBondContact O-CA 3.4Å; L1068-Y1092 PolarHBondContact O-N 3.22Å |
| 1069 | W | 83 | Confident | 69.7 | Low | 40.4 Ų | 40.4 | 70.3 Ų | 70.3 | 15% | 0.153 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 115.5 | -179.3 | -60.5 | 78 | 0 | 0 | 0 | 108.5 | L46 Q47 N48 Y1092 V1094 T1097 I1100 T1103 S1115 C1116 I1125 | L46-W1069 PolarHBondContact O-N 3.1Å; Q47-W1069 HydrophobicContact CG-CB 4.33Å; N48-W1069 PolarHBondContact N-O 2.91Å; W1069-Y1092 WeakPolarHBondContact CA-O 3.43Å; W1069-Y1092 HydrophobicContact CD2-CD2 4.3Å; W1069-Y1092 HydrophobicContact CD2-CG 4.26Å; W1069-Y1092 AromaticContact CE2-CD2 3.84Å; W1069-Y1092 HydrophobicContact CE3-CD1 4.49Å; W1069-Y1092 HydrophobicContact CE3-CD2 4.03Å; W1069-Y1092 AromaticContact CE3-CG 3.71Å; W1069-Y1092 HydrophobicContact CE3-CG 3.71Å; W1069-Y1092 HydrophobicContact CH2-CD2 4.37Å; W1069-Y1092 HydrophobicContact CH2-CG 4.31Å; W1069-Y1092 HydrophobicContact CZ2-CD2 4.32Å; W1069-Y1092 HydrophobicContact CZ2-CE2 4.34Å; W1069-Y1092 HydrophobicContact CZ3-CD1 4.11Å; W1069-Y1092 HydrophobicContact CZ3-CD2 4.15Å; W1069-Y1092 AromaticContact CZ3-CG 3.74Å; W1069-Y1092 HydrophobicContact CZ3-CG 3.74Å; W1069-V1094 HydrophobicContact CB-CG2 4.09Å; W1069-V1094 HydrophobicContact CD2-CG2 4.45Å; W1069-V1094 HydrophobicContact CE3-CG1 3.84Å; W1069-V1094 HydrophobicContact CE3-CG2 4.05Å; W1069-V1094 HydrophobicContact CZ3-CG1 3.94Å; W1069-V1094 HydrophobicContact CZ3-CG2 4.48Å; W1069-T1097 HydrophobicContact CB-CG2 4.28Å; W1069-T1097 WeakPolarHBondContact O-CG2 3.37Å; W1069-I1100 HydrophobicContact CB-CD1 3.61Å; W1069-I1100 HydrophobicContact CD2-CD1 3.95Å; W1069-I1100 HydrophobicContact CD2-CG1 4.28Å; W1069-I1100 HydrophobicContact CD2-CG2 4.22Å; W1069-I1100 HydrophobicContact CE3-CB 4.48Å; W1069-I1100 HydrophobicContact CE3-CD1 3.71Å; W1069-I1100 VanDerWaalsContact CE3-CD1 3.48Å; W1069-I1100 HydrophobicContact CE3-CG1 4.01Å; W1069-I1100 HydrophobicContact CE3-CG2 4.15Å; W1069-I1100 HydrophobicContact CG-CD1 3.83Å; W1069-I1100 HydrophobicContact CG-CG2 4.42Å; W1069-I1100 HydrophobicContact CH2-CD1 4.23Å; W1069-I1100 HydrophobicContact CH2-CG2 4.24Å; W1069-I1100 HydrophobicContact CZ2-CG2 4.09Å; W1069-I1100 HydrophobicContact CZ3-CD1 3.66Å; W1069-I1100 HydrophobicContact CZ3-CG1 4.22Å; W1069-I1100 HydrophobicContact CZ3-CG2 4.38Å; W1069-T1103 HydrophobicContact CZ2-CG2 4.04Å; W1069-S1115 VanDerWaalsContact CH2-OG 3.26Å; W1069-S1115 WeakPolarHBondContact CH2-OG 3.22Å; W1069-C1116 WeakPolarHBondContact CH2-O 3.42Å; W1069-C1116 VanDerWaalsContact CZ3-O 3.28Å; W1069-C1116 WeakPolarHBondContact CZ3-O 3.49Å; W1069-I1125 HydrophobicContact CE3-CD1 4.33Å; W1069-I1125 HydrophobicContact CH2-CD1 4.39Å; W1069-I1125 HydrophobicContact CZ3-CB 4.4Å; W1069-I1125 HydrophobicContact CZ3-CD1 3.68Å; W1069-I1125 HydrophobicContact CZ3-CG2 4.16Å |
| 1070 | L | 82.4 | Confident | 71 | Confident | 18.8 Ų | 18.8 | 67.3 Ų | 67.3 | 10% | 0.098 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 147.3 | -172.1 | -59.4 | 175.1 | 0 | 0 | 0 | 109.9 | N48 L1068 Q1072 T1076 V1078 I1091 Y1092 D1093 V1094 | N48-L1070 HydrophobicContact CB-CD2 4.01Å; L1068-L1070 HydrophobicContact CB-CD2 4.44Å; L1068-L1070 HydrophobicContact CB-CG 4.35Å; L1068-L1070 HydrophobicContact CD2-CD1 4.23Å; L1068-L1070 HydrophobicContact CD2-CD2 4.19Å; L1068-L1070 HydrophobicContact CD2-CG 4.3Å; L1068-L1070 HydrophobicContact CG-CD2 4.23Å; L1068-L1070 HydrophobicContact CG-CG 4.34Å; L1070-Q1072 PolarHBondContact O-N 2.88Å; L1070-T1076 HydrophobicContact CD1-CG2 4.27Å; L1070-T1076 HydrophobicContact CD2-CG2 4.24Å; L1070-V1078 HydrophobicContact CD1-CG2 3.72Å; L1070-I1091 HydrophobicContact CD1-CG2 3.7Å; L1070-I1091 HydrophobicContact CG-CG2 4.39Å; L1070-Y1092 PolarHBondContact N-O 2.94Å; L1070-D1093 CarbonylContact O-C 3.42Å; L1070-D1093 WeakPolarHBondContact O-CA 3.28Å; L1070-V1094 VanDerWaalsContact O-CG2 3.27Å; L1070-V1094 WeakPolarHBondContact O-CG2 3.36Å; L1070-V1094 PolarHBondContact O-N 3.1Å |
| 1071 | N | 80.7 | Confident | 72.2 | Confident | 47.4 Ų | 47.4 | 62.4 Ų | 62.4 | 25% | 0.253 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 130.4 | 171.6 | -175.6 | -40.9 | 0 | 0 | 0 | 109.8 | N48 P49 S1073 S1074 V1094 V1095 T1097 | N48-N1071 PolarHBondContact O-N 3.23Å; P49-N1071 WeakPolarHBondContact O-CB 3.1Å; P49-N1071 PolarHBondContact O-ND2 3.02Å; N1071-S1073 PolarHBondContact ND2-OG 3.01Å; N1071-S1073 PolarHBondContact O-N 3.1Å; N1071-S1073 VanDerWaalsContact O-N 3.13Å; N1071-S1073 WeakPolarHBondContact OD1-CB 3.26Å; N1071-S1073 PolarHBondContact OD1-N 3.13Å; N1071-S1073 PolarHBondContact OD1-OG 3.1Å; N1071-S1073 VanDerWaalsContact OD1-OG 3.11Å; N1071-S1074 VanDerWaalsContact O-CB 3.24Å; N1071-S1074 WeakPolarHBondContact O-CB 3.28Å; N1071-S1074 PolarHBondContact O-N 3.15Å; N1071-S1074 PolarHBondContact O-OG 2.92Å; N1071-V1094 CarbonylContact C-O 3.53Å; N1071-V1094 VanDerWaalsContact CA-O 3.28Å; N1071-V1094 WeakPolarHBondContact CA-O 3.41Å; N1071-V1095 PolarHBondContact ND2-O 2.88Å; N1071-T1097 HydrophobicContact CB-CG2 4.39Å |
| 1072 | Q | 75.4 | Confident | 72.6 | Confident | 134.8 Ų | 134.8 | 64.1 Ų | 64.1 | 63% | 0.63 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -53.7 | -32.6 | 179.3 | -173.1 | 179.1 | 24.3 | 0 | 0 | 113 | L1070 S1074 D1093 V1094 | L1070-Q1072 PolarHBondContact O-N 2.88Å; Q1072-S1074 VanDerWaalsContact C-N 3.32Å; Q1072-S1074 PolarHBondContact O-N 3.26Å; Q1072-D1093 WeakPolarHBondContact CA-OD1 3.44Å; Q1072-D1093 HydrophobicContact CB-CB 4.44Å; Q1072-D1093 WeakPolarHBondContact CB-OD1 3.07Å; Q1072-D1093 WeakPolarHBondContact CB-OD2 3.42Å; Q1072-D1093 HydrophobicContact CG-CB 4.47Å; Q1072-D1093 WeakPolarHBondContact CG-OD2 3.45Å; Q1072-D1093 PolarHBondContact N-OD1 3.38Å; Q1072-D1093 PolarHBondContact NE2-OD2 3.17Å; Q1072-V1094 WeakPolarHBondContact CB-O 3.33Å; Q1072-V1094 PolarHBondContact N-O 3.04Å |
| 1073 | S | 73.6 | Confident | 73.3 | Confident | 103.6 Ų | 103.6 | 65.9 Ų | 65.9 | 72% | 0.724 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -79.4 | -10.6 | 176.9 | 68.7 | 0 | 0 | 0 | 0 | 114.6 | N1071 G1075 | N1071-S1073 PolarHBondContact ND2-OG 3.01Å; N1071-S1073 PolarHBondContact O-N 3.1Å; N1071-S1073 VanDerWaalsContact O-N 3.13Å; N1071-S1073 WeakPolarHBondContact OD1-CB 3.26Å; N1071-S1073 PolarHBondContact OD1-N 3.13Å; N1071-S1073 PolarHBondContact OD1-OG 3.1Å; N1071-S1073 VanDerWaalsContact OD1-OG 3.11Å; S1073-G1075 VanDerWaalsContact C-N 3.3Å; S1073-G1075 PolarHBondContact O-N 3.11Å |
| 1074 | S | 69 | Low | 73.6 | Confident | 26.6 Ų | 26.6 | 65.4 Ų | 65.4 | 19% | 0.186 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -75.4 | -19.1 | -169.7 | 70 | 0 | 0 | 0 | 0 | 115.3 | Y50 E51 N1071 Q1072 T1076 | Y50-S1074 WeakPolarHBondContact O-CB 3.33Å; E51-S1074 VanDerWaalsContact CA-O 3.23Å; E51-S1074 WeakPolarHBondContact CA-O 3.36Å; E51-S1074 VanDerWaalsContact CB-O 3.27Å; E51-S1074 WeakPolarHBondContact CB-O 3.48Å; E51-S1074 VanDerWaalsContact CG-O 3.28Å; E51-S1074 WeakPolarHBondContact CG-O 3.48Å; N1071-S1074 VanDerWaalsContact O-CB 3.24Å; N1071-S1074 WeakPolarHBondContact O-CB 3.28Å; N1071-S1074 PolarHBondContact O-N 3.15Å; N1071-S1074 PolarHBondContact O-OG 2.92Å; Q1072-S1074 VanDerWaalsContact C-N 3.32Å; Q1072-S1074 PolarHBondContact O-N 3.26Å; S1074-T1076 VanDerWaalsContact CB-OG1 3.28Å; S1074-T1076 WeakPolarHBondContact CB-OG1 3.33Å; S1074-T1076 PolarHBondContact O-N 3.11Å; S1074-T1076 PolarHBondContact O-OG1 3.48Å; S1074-T1076 PolarHBondContact OG-N 3.09Å; S1074-T1076 PolarHBondContact OG-OG1 2.79Å |
| 1075 | G | 70.1 | Confident | 73.8 | Confident | 50.6 Ų | 50.6 | 62.3 Ų | 62.3 | 52% | 0.522 | 34% | 0.336 | S | S | . | . | trans | 59.9 | 12.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | A975 S1073 E1077 | A975-G1075 VanDerWaalsContact CB-C 3.46Å; A975-G1075 WeakPolarHBondContact CB-O 3.49Å; S1073-G1075 VanDerWaalsContact C-N 3.3Å; S1073-G1075 PolarHBondContact O-N 3.11Å; G1075-E1077 PolarHBondContact O-N 2.96Å | ||
| 1076 | T | 71.7 | Confident | 73.7 | Confident | 12.4 Ų | 12.4 | 64.1 Ų | 64.1 | 8% | 0.076 | 34% | 0.336 | C | S | . | . | trans | -59.3 | 130.3 | -166.1 | -59.7 | 0 | 0 | 0 | 0 | 113.4 | Y50 G52 V54 A975 L1070 S1074 V1078 R1128 | Y50-T1076 PolarHBondContact O-OG1 3.22Å; Y50-T1076 VanDerWaalsContact O-OG1 3.1Å; G52-T1076 WeakPolarHBondContact O-CA 3.46Å; V54-T1076 HydrophobicContact CG2-CG2 3.82Å; A975-T1076 HydrophobicContact CB-CG2 4.09Å; L1070-T1076 HydrophobicContact CD1-CG2 4.27Å; L1070-T1076 HydrophobicContact CD2-CG2 4.24Å; S1074-T1076 VanDerWaalsContact CB-OG1 3.28Å; S1074-T1076 WeakPolarHBondContact CB-OG1 3.33Å; S1074-T1076 PolarHBondContact O-N 3.11Å; S1074-T1076 PolarHBondContact O-OG1 3.48Å; S1074-T1076 PolarHBondContact OG-N 3.09Å; S1074-T1076 PolarHBondContact OG-OG1 2.79Å; T1076-V1078 HydrophobicContact CG2-CG2 4.25Å; T1076-V1078 PolarHBondContact O-N 2.96Å; T1076-R1128 PolarHBondContact O-NH1 2.87Å; T1076-R1128 PolarHBondContact O-NH2 3.16Å | ||
| 1077 | E | 72.7 | Confident | 73.3 | Confident | 66.8 Ų | 66.8 | 67 Ų | 67 | 31% | 0.312 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 107.8 | 174.8 | -134.1 | -167.9 | 176.8 | 0 | 0 | 110.5 | G52 T53 V54 K974 G1075 R1079 | G52-E1077 PolarHBondContact O-N 2.73Å; T53-E1077 CarbonylContact C-O 3.58Å; T53-E1077 WeakPolarHBondContact CA-O 3.5Å; T53-E1077 HydrophobicContact CG2-CB 3.92Å; V54-E1077 PolarHBondContact N-O 3.01Å; K974-E1077 HydrophobicContact CB-CB 4.1Å; K974-E1077 WeakPolarHBondContact CD-OE2 3.28Å; K974-E1077 WeakPolarHBondContact CE-OE1 3.43Å; K974-E1077 WeakPolarHBondContact CE-OE2 3.4Å; K974-E1077 HydrophobicContact CG-CG 4.36Å; K974-E1077 PolarHBondContact N-O 2.8Å; K974-E1077 IonicContact NZ-OE1 3.37Å; K974-E1077 PolarHBondContact NZ-OE1 3.35Å; K974-E1077 IonicContact NZ-OE2 3.31Å; K974-E1077 PolarHBondContact NZ-OE2 3.17Å; K974-E1077 WeakPolarHBondContact O-CA 3.5Å; K974-E1077 WeakPolarHBondContact O-CB 3.33Å; K974-E1077 PolarHBondContact O-N 3.24Å; G1075-E1077 PolarHBondContact O-N 2.96Å; E1077-R1079 VanDerWaalsContact CD-NE 3.32Å; E1077-R1079 HydrophobicContact CG-CG 4.37Å; E1077-R1079 PolarHBondContact O-N 2.92Å; E1077-R1079 VanDerWaalsContact O-N 3.11Å; E1077-R1079 IonicContact OE1-CZ 3.5Å; E1077-R1079 IonicContact OE1-NE 3Å; E1077-R1079 PolarHBondContact OE1-NE 3.22Å; E1077-R1079 IonicContact OE1-NH2 3.27Å; E1077-R1079 PolarHBondContact OE1-NH2 2.67Å; E1077-R1079 IonicContact OE2-CZ 3.46Å; E1077-R1079 VanDerWaalsContact OE2-CZ 3.25Å; E1077-R1079 IonicContact OE2-NE 2.92Å; E1077-R1079 PolarHBondContact OE2-NE 3.1Å; E1077-R1079 IonicContact OE2-NH2 3.54Å; E1077-R1079 PolarHBondContact OE2-NH2 3.19Å |
| 1078 | V | 73.9 | Confident | 73 | Confident | 25.2 Ų | 25.2 | 63.9 Ų | 63.9 | 15% | 0.153 | 35% | 0.346 | C | S | . | . | trans | -89.5 | 115.4 | 176.1 | -175.5 | 0 | 0 | 0 | 0 | 109.9 | V54 V972 I973 L1068 L1070 T1076 I1080 I1091 | V54-V1078 HydrophobicContact CB-CG2 4.46Å; V54-V1078 CarbonylContact O-C 3.57Å; V54-V1078 WeakPolarHBondContact O-CA 3.13Å; V972-V1078 WeakPolarHBondContact CA-O 3.42Å; I973-V1078 HydrophobicContact CB-CB 4.38Å; I973-V1078 HydrophobicContact CD1-CG1 4.38Å; I973-V1078 HydrophobicContact CG1-CG1 4.42Å; I973-V1078 PolarHBondContact N-O 3.49Å; I973-V1078 PolarHBondContact O-N 3.19Å; L1068-V1078 HydrophobicContact CD1-CB 4.36Å; L1068-V1078 HydrophobicContact CD1-CG1 3.57Å; L1068-V1078 HydrophobicContact CD1-CG2 3.8Å; L1068-V1078 HydrophobicContact CD2-CB 4.4Å; L1068-V1078 HydrophobicContact CD2-CG1 3.87Å; L1068-V1078 HydrophobicContact CD2-CG2 3.7Å; L1070-V1078 HydrophobicContact CD1-CG2 3.72Å; T1076-V1078 HydrophobicContact CG2-CG2 4.25Å; T1076-V1078 PolarHBondContact O-N 2.96Å; V1078-I1080 HydrophobicContact CG1-CG1 4.26Å; V1078-I1091 HydrophobicContact CB-CD1 3.88Å; V1078-I1091 HydrophobicContact CG1-CD1 3.92Å; V1078-I1091 HydrophobicContact CG2-CD1 4.05Å; V1078-I1091 HydrophobicContact CG2-CG2 4.43Å | ||
| 1079 | R | 71.8 | Confident | 72.8 | Confident | 121.6 Ų | 121.6 | 63.2 Ų | 63.2 | 46% | 0.459 | 34% | 0.342 | S | S | . | . | trans | -108.7 | 127.4 | 175.7 | -64 | -176.2 | 178.4 | -158.9 | -3.6 | 109.4 | V54 E55 I56 Y970 N971 V972 I973 E1077 | V54-R1079 PolarHBondContact O-N 3.46Å; E55-R1079 CarbonylContact C-O 3.54Å; E55-R1079 WeakPolarHBondContact CA-O 3.35Å; E55-R1079 HydrophobicContact CB-CB 4.44Å; E55-R1079 HydrophobicContact CG-CB 4.41Å; I56-R1079 PolarHBondContact N-O 2.86Å; Y970-R1079 HydrophobicContact CD1-CB 4.17Å; N971-R1079 WeakPolarHBondContact O-CA 3.23Å; V972-R1079 HydrophobicContact CB-CB 3.64Å; V972-R1079 VanDerWaalsContact CG1-C 3.4Å; V972-R1079 HydrophobicContact CG1-CB 3.48Å; V972-R1079 HydrophobicContact CG1-CG 4.34Å; V972-R1079 VanDerWaalsContact CG1-O 3.29Å; V972-R1079 WeakPolarHBondContact CG1-O 3.37Å; V972-R1079 HydrophobicContact CG2-CB 4.18Å; V972-R1079 HydrophobicContact CG2-CG 4.19Å; V972-R1079 WeakPolarHBondContact CG2-O 3.11Å; I973-R1079 WeakPolarHBondContact CG1-O 3.39Å; E1077-R1079 VanDerWaalsContact CD-NE 3.32Å; E1077-R1079 HydrophobicContact CG-CG 4.37Å; E1077-R1079 PolarHBondContact O-N 2.92Å; E1077-R1079 VanDerWaalsContact O-N 3.11Å; E1077-R1079 IonicContact OE1-CZ 3.5Å; E1077-R1079 IonicContact OE1-NE 3Å; E1077-R1079 PolarHBondContact OE1-NE 3.22Å; E1077-R1079 IonicContact OE1-NH2 3.27Å; E1077-R1079 PolarHBondContact OE1-NH2 2.67Å; E1077-R1079 IonicContact OE2-CZ 3.46Å; E1077-R1079 VanDerWaalsContact OE2-CZ 3.25Å; E1077-R1079 IonicContact OE2-NE 2.92Å; E1077-R1079 PolarHBondContact OE2-NE 3.1Å; E1077-R1079 IonicContact OE2-NH2 3.54Å; E1077-R1079 PolarHBondContact OE2-NH2 3.19Å | ||
| 1080 | I | 73.4 | Confident | 72.6 | Confident | 39.2 Ų | 39.2 | 63.2 Ų | 63.2 | 20% | 0.201 | 34% | 0.344 | C | S | . | . | trans | -110.2 | 127.8 | -175.2 | -60.1 | 167.8 | 0 | 0 | 0 | 108.9 | Y970 N971 I973 V1078 I1084 R1086 I1089 | Y970-I1080 CarbonylContact C-O 3.24Å; Y970-I1080 VanDerWaalsContact CA-O 3.3Å; Y970-I1080 WeakPolarHBondContact CA-O 3.42Å; N971-I1080 PolarHBondContact N-O 2.94Å; N971-I1080 PolarHBondContact O-N 3Å; I973-I1080 HydrophobicContact CD1-CD1 3.62Å; I973-I1080 HydrophobicContact CD1-CG1 4.37Å; V1078-I1080 HydrophobicContact CG1-CG1 4.26Å; I1080-I1084 HydrophobicContact CG2-CB 3.8Å; I1080-I1084 HydrophobicContact CG2-CG2 4.07Å; I1080-I1084 VanDerWaalsContact CG2-O 3.28Å; I1080-I1084 WeakPolarHBondContact CG2-O 3.25Å; I1080-R1086 HydrophobicContact CD1-CB 4.5Å; I1080-R1086 VanDerWaalsContact CD1-CD 3.47Å; I1080-I1089 HydrophobicContact CB-CD1 4.45Å; I1080-I1089 HydrophobicContact CD1-CB 4.06Å; I1080-I1089 HydrophobicContact CD1-CD1 3.68Å; I1080-I1089 HydrophobicContact CD1-CG1 4.38Å; I1080-I1089 HydrophobicContact CD1-CG2 4.24Å; I1080-I1089 HydrophobicContact CG1-CD1 3.78Å; I1080-I1089 HydrophobicContact CG2-CD1 3.83Å | ||
| 1081 | A | 67.9 | Low | 72.7 | Confident | 29.2 Ų | 29.2 | 62.7 Ų | 62.7 | 24% | 0.241 | 34% | 0.341 | C | S | . | . | trans | -86.3 | 141.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I56 V968 Y970 V972 I1084 | I56-A1081 WeakPolarHBondContact O-CB 3.24Å; I56-A1081 PolarHBondContact O-N 3.43Å; V968-A1081 HydrophobicContact CG1-CB 3.37Å; Y970-A1081 HydrophobicContact CD1-CB 4.18Å; Y970-A1081 HydrophobicContact CE1-CB 4.02Å; V972-A1081 HydrophobicContact CB-CB 4.2Å; V972-A1081 HydrophobicContact CG2-CB 3.67Å; A1081-I1084 WeakPolarHBondContact O-CA 2.99Å; A1081-I1084 VanDerWaalsContact O-CB 3.25Å; A1081-I1084 WeakPolarHBondContact O-CB 3.34Å; A1081-I1084 WeakPolarHBondContact O-CG1 3.43Å; A1081-I1084 PolarHBondContact O-N 3.26Å; A1081-I1084 VanDerWaalsContact O-N 3.12Å | ||
| 1082 | E | 63.6 | Low | 72.8 | Confident | 165.4 Ų | 165.4 | 60.8 Ų | 60.8 | 77% | 0.773 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 139.5 | 164.2 | -66.6 | -177.2 | 154.7 | 0 | 0 | 109.9 | R969 | R969-E1082 WeakPolarHBondContact CD-OE1 3.48Å; R969-E1082 IonicContact NH1-OE1 3.07Å; R969-E1082 PolarHBondContact NH1-OE1 3.14Å; R969-E1082 PolarHBondContact O-N 2.93Å; R969-E1082 VanDerWaalsContact O-N 3.12Å |
| 1083 | P | 67.3 | Low | 73.2 | Confident | 99.6 Ų | 99.6 | 56.5 Ų | 56.5 | 65% | 0.647 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -93.3 | 13.9 | 15.3 | 38 | -38 | 0 | 0 | 0 | 115.4 | E58 I1039 K1085 | E58-P1083 WeakPolarHBondContact OE2-CD 3.41Å; I1039-P1083 HydrophobicContact CD1-CG 4.23Å; P1083-K1085 PolarHBondContact O-N 3.03Å; P1083-K1085 VanDerWaalsContact O-N 3.12Å |
| 1084 | I | 68.1 | Low | 73.5 | Confident | 30.2 Ų | 30.2 | 51.7 Ų | 51.7 | 16% | 0.155 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -74.6 | 113.8 | -174.9 | -47.6 | 177.9 | 0 | 0 | 0 | 110 | I56 L1034 I1039 I1080 A1081 R1086 S1088 I1089 | I56-I1084 HydrophobicContact CB-CD1 4.43Å; I56-I1084 HydrophobicContact CG2-CD1 3.68Å; L1034-I1084 HydrophobicContact CD1-CD1 4.32Å; I1039-I1084 HydrophobicContact CD1-CD1 4.47Å; I1039-I1084 HydrophobicContact CD1-CG1 4.36Å; I1039-I1084 HydrophobicContact CG1-CD1 4.48Å; I1039-I1084 HydrophobicContact CG2-CG1 4.09Å; I1080-I1084 HydrophobicContact CG2-CB 3.8Å; I1080-I1084 HydrophobicContact CG2-CG2 4.07Å; I1080-I1084 VanDerWaalsContact CG2-O 3.28Å; I1080-I1084 WeakPolarHBondContact CG2-O 3.25Å; A1081-I1084 WeakPolarHBondContact O-CA 2.99Å; A1081-I1084 VanDerWaalsContact O-CB 3.25Å; A1081-I1084 WeakPolarHBondContact O-CB 3.34Å; A1081-I1084 WeakPolarHBondContact O-CG1 3.43Å; A1081-I1084 PolarHBondContact O-N 3.26Å; A1081-I1084 VanDerWaalsContact O-N 3.12Å; I1084-R1086 PolarHBondContact O-N 3.02Å; I1084-S1088 WeakPolarHBondContact CG2-OG 3.31Å; I1084-I1089 HydrophobicContact CG2-CD1 3.7Å; I1084-I1089 HydrophobicContact CG2-CG1 4.22Å |
| 1085 | K | 69.4 | Low | 74 | Confident | 105 Ų | 105 | 54.8 Ų | 54.8 | 46% | 0.457 | 30% | 0.295 | S | S | . | . | trans | -66.1 | 134.1 | 177.4 | -66.7 | 179 | 178.3 | 175.2 | 0 | 110.2 | T1041 G1042 E1043 P1083 S1087 S1088 | T1041-K1085 VanDerWaalsContact O-CD 3.3Å; T1041-K1085 WeakPolarHBondContact O-CD 3.44Å; T1041-K1085 WeakPolarHBondContact O-CE 3.35Å; T1041-K1085 PolarHBondContact O-NZ 2.8Å; G1042-K1085 WeakPolarHBondContact O-CE 3.44Å; G1042-K1085 PolarHBondContact O-NZ 3.19Å; E1043-K1085 IonicContact OE1-NZ 3.06Å; P1083-K1085 PolarHBondContact O-N 3.03Å; P1083-K1085 VanDerWaalsContact O-N 3.12Å; K1085-S1087 PolarHBondContact O-N 2.99Å; K1085-S1087 VanDerWaalsContact O-N 3.12Å; K1085-S1088 WeakPolarHBondContact O-CB 3.38Å; K1085-S1088 PolarHBondContact O-N 3.2Å; K1085-S1088 PolarHBondContact O-OG 3.18Å; K1085-S1088 VanDerWaalsContact O-OG 3.05Å | ||
| 1086 | R | 71.2 | Confident | 74.1 | Confident | 93 Ų | 93 | 53.7 Ų | 53.7 | 35% | 0.351 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -50.8 | -36.1 | 177.2 | 174.7 | 63.9 | -178.3 | 116.8 | 1.9 | 113.1 | I1080 I1084 S1088 I1089 R1128 G1188 D1189 | I1080-R1086 HydrophobicContact CD1-CB 4.5Å; I1080-R1086 VanDerWaalsContact CD1-CD 3.47Å; I1084-R1086 PolarHBondContact O-N 3.02Å; R1086-S1088 VanDerWaalsContact C-N 3.3Å; R1086-S1088 PolarHBondContact O-N 3.12Å; R1086-I1089 PolarHBondContact NH1-O 3.03Å; R1086-I1089 VanDerWaalsContact NH1-O 3.11Å; R1086-I1089 PolarHBondContact O-N 3.25Å; R1086-I1089 VanDerWaalsContact O-N 3.16Å; R1086-R1128 PolarHBondContact NH2-O 2.99Å; R1086-G1188 PolarHBondContact NH2-O 3.1Å; R1086-D1189 WeakPolarHBondContact CG-OD2 3.41Å; R1086-D1189 IonicContact CZ-OD2 2.68Å; R1086-D1189 IonicContact NE-OD2 2.99Å; R1086-D1189 PolarHBondContact NE-OD2 2.8Å; R1086-D1189 IonicContact NH2-OD2 3.55Å |
| 1087 | S | 70.5 | Confident | 74.2 | Confident | 92.4 Ų | 92.4 | 55.4 Ų | 55.4 | 65% | 0.646 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -68.7 | -13.8 | 179.5 | 52.8 | 0 | 0 | 0 | 0 | 115.3 | K1085 I1089 H1090 | K1085-S1087 PolarHBondContact O-N 2.99Å; K1085-S1087 VanDerWaalsContact O-N 3.12Å; S1087-I1089 VanDerWaalsContact C-N 3.35Å; S1087-H1090 PolarHBondContact O-CE1 3.07Å |
| 1088 | S | 74.2 | Confident | 74.1 | Confident | 10.4 Ų | 10.4 | 61.2 Ų | 61.2 | 7% | 0.073 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -91.8 | -0.4 | 174.7 | 54.8 | 0 | 0 | 0 | 0 | 113.8 | T1065 I1066 I1084 K1085 R1086 | T1065-S1088 CarbonylContact C-O 3.58Å; T1065-S1088 WeakPolarHBondContact CA-O 3.11Å; I1066-S1088 PolarHBondContact N-O 3.09Å; I1084-S1088 WeakPolarHBondContact CG2-OG 3.31Å; K1085-S1088 WeakPolarHBondContact O-CB 3.38Å; K1085-S1088 PolarHBondContact O-N 3.2Å; K1085-S1088 PolarHBondContact O-OG 3.18Å; K1085-S1088 VanDerWaalsContact O-OG 3.05Å; R1086-S1088 VanDerWaalsContact C-N 3.3Å; R1086-S1088 PolarHBondContact O-N 3.12Å |
| 1089 | I | 78.1 | Confident | 73.7 | Confident | 14.4 Ų | 14.4 | 64.7 Ų | 64.7 | 7% | 0.074 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 109.8 | 176.9 | -67.5 | 165.8 | 0 | 0 | 0 | 109.8 | I56 I1066 L1068 I1080 I1084 R1086 S1087 I1091 | I56-I1089 HydrophobicContact CD1-CD1 3.93Å; I56-I1089 HydrophobicContact CD1-CG1 4.27Å; I56-I1089 HydrophobicContact CD1-CG2 4.41Å; I1066-I1089 HydrophobicContact CB-CG1 4.01Å; I1066-I1089 HydrophobicContact CD1-CD1 4.47Å; I1066-I1089 HydrophobicContact CD1-CG1 4.15Å; I1066-I1089 HydrophobicContact CG2-CG1 4.26Å; I1066-I1089 CarbonylContact O-C 3.47Å; I1066-I1089 WeakPolarHBondContact O-CA 3.23Å; L1068-I1089 HydrophobicContact CB-CG2 4.49Å; L1068-I1089 HydrophobicContact CD1-CG2 4.18Å; L1068-I1089 HydrophobicContact CG-CG2 4.44Å; I1080-I1089 HydrophobicContact CB-CD1 4.45Å; I1080-I1089 HydrophobicContact CD1-CB 4.06Å; I1080-I1089 HydrophobicContact CD1-CD1 3.68Å; I1080-I1089 HydrophobicContact CD1-CG1 4.38Å; I1080-I1089 HydrophobicContact CD1-CG2 4.24Å; I1080-I1089 HydrophobicContact CG1-CD1 3.78Å; I1080-I1089 HydrophobicContact CG2-CD1 3.83Å; I1084-I1089 HydrophobicContact CG2-CD1 3.7Å; I1084-I1089 HydrophobicContact CG2-CG1 4.22Å; R1086-I1089 PolarHBondContact NH1-O 3.03Å; R1086-I1089 VanDerWaalsContact NH1-O 3.11Å; R1086-I1089 PolarHBondContact O-N 3.25Å; R1086-I1089 VanDerWaalsContact O-N 3.16Å; S1087-I1089 VanDerWaalsContact C-N 3.35Å; I1089-I1091 HydrophobicContact CG2-CD1 4.4Å; I1089-I1091 HydrophobicContact CG2-CG1 3.98Å |
| 1090 | H | 80.5 | Confident | 73.4 | Confident | 41 Ų | 41 | 60.2 Ų | 60.2 | 19% | 0.19 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 132.9 | 170.8 | -55.4 | -66.2 | 0 | 0 | 0 | 109.4 | T1065 I1066 Q1067 L1068 S1087 Y1092 Q1127 | T1065-H1090 VanDerWaalsContact CB-CD2 3.49Å; T1065-H1090 WeakPolarHBondContact CB-CD2 3.06Å; T1065-H1090 VanDerWaalsContact CB-NE2 3.31Å; T1065-H1090 WeakPolarHBondContact CB-NE2 3.4Å; T1065-H1090 VanDerWaalsContact CG2-NE2 3.31Å; T1065-H1090 WeakPolarHBondContact CG2-NE2 3.25Å; T1065-H1090 PolarHBondContact OG1-CD2 3.04Å; T1065-H1090 VanDerWaalsContact OG1-CD2 3.32Å; T1065-H1090 PolarHBondContact OG1-NE2 2.63Å; I1066-H1090 PolarHBondContact O-N 3.26Å; Q1067-H1090 CarbonylContact C-O 3.49Å; Q1067-H1090 WeakPolarHBondContact CA-O 3.09Å; Q1067-H1090 HydrophobicContact CG-CB 4.36Å; L1068-H1090 PolarHBondContact N-O 3.12Å; S1087-H1090 PolarHBondContact O-CE1 3.07Å; H1090-Y1092 HydrophobicContact CB-CD2 4.44Å; H1090-Y1092 HydrophobicContact CB-CE2 3.7Å; H1090-Q1127 HydrophobicContact CB-CG 4.39Å; H1090-Q1127 VanDerWaalsContact ND1-CD 3.34Å; H1090-Q1127 PolarHBondContact ND1-OE1 3.11Å |
| 1091 | I | 83.5 | Confident | 72.6 | Confident | 7.2 Ų | 7.2 | 65.9 Ų | 65.9 | 4% | 0.037 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 124.1 | -178.6 | -54.8 | 172.8 | 0 | 0 | 0 | 108.3 | I973 L1068 L1070 V1078 I1089 Q1127 R1128 | I973-I1091 HydrophobicContact CD1-CD1 3.55Å; I973-I1091 HydrophobicContact CG2-CD1 4.34Å; L1068-I1091 HydrophobicContact CB-CG1 4.4Å; L1068-I1091 HydrophobicContact CB-CG2 4.39Å; L1068-I1091 HydrophobicContact CD1-CG1 4.25Å; L1068-I1091 HydrophobicContact CD2-CG1 4.43Å; L1068-I1091 CarbonylContact O-C 3.39Å; L1068-I1091 WeakPolarHBondContact O-CA 3.4Å; L1070-I1091 HydrophobicContact CD1-CG2 3.7Å; L1070-I1091 HydrophobicContact CG-CG2 4.39Å; V1078-I1091 HydrophobicContact CB-CD1 3.88Å; V1078-I1091 HydrophobicContact CG1-CD1 3.92Å; V1078-I1091 HydrophobicContact CG2-CD1 4.05Å; V1078-I1091 HydrophobicContact CG2-CG2 4.43Å; I1089-I1091 HydrophobicContact CG2-CD1 4.4Å; I1089-I1091 HydrophobicContact CG2-CG1 3.98Å; I1091-Q1127 CarbonylContact O-C 3.37Å; I1091-Q1127 VanDerWaalsContact O-CA 3.29Å; I1091-Q1127 WeakPolarHBondContact O-CA 3.39Å; I1091-R1128 HydrophobicContact CB-CB 4.11Å; I1091-R1128 HydrophobicContact CG2-CB 4.16Å; I1091-R1128 PolarHBondContact O-N 3.27Å |
| 1092 | Y | 83.7 | Confident | 72.1 | Confident | 9 Ų | 9 | 65.8 Ų | 65.8 | 4% | 0.035 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 132.4 | 179.4 | -60.9 | -84.6 | 0 | 0 | 0 | 110.2 | Q1067 L1068 W1069 L1070 H1090 H1114 S1115 I1125 Q1127 | Q1067-Y1092 HydrophobicContact CB-CE2 4.38Å; Q1067-Y1092 HydrophobicContact CG-CE2 4.22Å; L1068-Y1092 PolarHBondContact O-N 3.22Å; W1069-Y1092 WeakPolarHBondContact CA-O 3.43Å; W1069-Y1092 HydrophobicContact CD2-CD2 4.3Å; W1069-Y1092 HydrophobicContact CD2-CG 4.26Å; W1069-Y1092 AromaticContact CE2-CD2 3.84Å; W1069-Y1092 HydrophobicContact CE3-CD1 4.49Å; W1069-Y1092 HydrophobicContact CE3-CD2 4.03Å; W1069-Y1092 AromaticContact CE3-CG 3.71Å; W1069-Y1092 HydrophobicContact CE3-CG 3.71Å; W1069-Y1092 HydrophobicContact CH2-CD2 4.37Å; W1069-Y1092 HydrophobicContact CH2-CG 4.31Å; W1069-Y1092 HydrophobicContact CZ2-CD2 4.32Å; W1069-Y1092 HydrophobicContact CZ2-CE2 4.34Å; W1069-Y1092 HydrophobicContact CZ3-CD1 4.11Å; W1069-Y1092 HydrophobicContact CZ3-CD2 4.15Å; W1069-Y1092 AromaticContact CZ3-CG 3.74Å; W1069-Y1092 HydrophobicContact CZ3-CG 3.74Å; L1070-Y1092 PolarHBondContact N-O 2.94Å; H1090-Y1092 HydrophobicContact CB-CD2 4.44Å; H1090-Y1092 HydrophobicContact CB-CE2 3.7Å; Y1092-H1114 HydrophobicContact CE1-CB 4.33Å; Y1092-H1114 PolarHBondContact OH-O 3.26Å; Y1092-H1114 VanDerWaalsContact OH-O 3.06Å; Y1092-S1115 VanDerWaalsContact CE1-CB 3.45Å; Y1092-I1125 HydrophobicContact CD1-CD1 3.89Å; Y1092-I1125 HydrophobicContact CD1-CG1 4.03Å; Y1092-I1125 HydrophobicContact CD1-CG2 4.17Å; Y1092-I1125 HydrophobicContact CG-CD1 4.21Å; Y1092-Q1127 HydrophobicContact CD1-CG 4.29Å; Y1092-Q1127 HydrophobicContact CE1-CG 3.66Å; Y1092-Q1127 HydrophobicContact CE2-CG 4.48Å |
| 1093 | D | 82 | Confident | 71.8 | Confident | 44.4 Ų | 44.4 | 61.2 Ų | 61.2 | 24% | 0.237 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 118.1 | 173.3 | -81.4 | -40 | 0 | 0 | 0 | 109 | L1070 Q1072 I1125 C1126 R1128 | L1070-D1093 CarbonylContact O-C 3.42Å; L1070-D1093 WeakPolarHBondContact O-CA 3.28Å; Q1072-D1093 WeakPolarHBondContact CA-OD1 3.44Å; Q1072-D1093 HydrophobicContact CB-CB 4.44Å; Q1072-D1093 WeakPolarHBondContact CB-OD1 3.07Å; Q1072-D1093 WeakPolarHBondContact CB-OD2 3.42Å; Q1072-D1093 HydrophobicContact CG-CB 4.47Å; Q1072-D1093 WeakPolarHBondContact CG-OD2 3.45Å; Q1072-D1093 PolarHBondContact N-OD1 3.38Å; Q1072-D1093 PolarHBondContact NE2-OD2 3.17Å; D1093-I1125 WeakPolarHBondContact O-CG2 3.47Å; D1093-C1126 PolarHBondContact N-O 3.19Å; D1093-R1128 VanDerWaalsContact CG-NH1 3.33Å; D1093-R1128 IonicContact OD1-CZ 2.82Å; D1093-R1128 IonicContact OD1-NH1 3.67Å; D1093-R1128 PolarHBondContact OD1-NH1 3.28Å; D1093-R1128 IonicContact OD1-NH2 2.66Å; D1093-R1128 PolarHBondContact OD1-NH2 2.83Å; D1093-R1128 WeakPolarHBondContact OD2-CD 3.26Å; D1093-R1128 WeakPolarHBondContact OD2-CG 3.35Å; D1093-R1128 IonicContact OD2-CZ 3.6Å; D1093-R1128 IonicContact OD2-NE 3.47Å; D1093-R1128 IonicContact OD2-NH1 3.09Å; D1093-R1128 PolarHBondContact OD2-NH1 3.05Å; D1093-R1128 VanDerWaalsContact OD2-NH1 3.13Å; D1093-R1128 IonicContact OD2-NH2 2.79Å; D1093-R1128 PolarHBondContact OD2-NH2 3.22Å |
| 1094 | V | 79.9 | Confident | 71.6 | Confident | 2.2 Ų | 2.2 | 64.5 Ų | 64.5 | 1% | 0.013 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 153.5 | -169.7 | -106 | 0 | 0 | 0 | 0 | 112.1 | W1069 L1070 N1071 Q1072 D1096 T1097 I1100 D1117 I1125 | W1069-V1094 HydrophobicContact CB-CG2 4.09Å; W1069-V1094 HydrophobicContact CD2-CG2 4.45Å; W1069-V1094 HydrophobicContact CE3-CG1 3.84Å; W1069-V1094 HydrophobicContact CE3-CG2 4.05Å; W1069-V1094 HydrophobicContact CZ3-CG1 3.94Å; W1069-V1094 HydrophobicContact CZ3-CG2 4.48Å; L1070-V1094 VanDerWaalsContact O-CG2 3.27Å; L1070-V1094 WeakPolarHBondContact O-CG2 3.36Å; L1070-V1094 PolarHBondContact O-N 3.1Å; N1071-V1094 CarbonylContact C-O 3.53Å; N1071-V1094 VanDerWaalsContact CA-O 3.28Å; N1071-V1094 WeakPolarHBondContact CA-O 3.41Å; Q1072-V1094 WeakPolarHBondContact CB-O 3.33Å; Q1072-V1094 PolarHBondContact N-O 3.04Å; V1094-D1096 WeakPolarHBondContact CG1-O 3.47Å; V1094-T1097 HydrophobicContact CB-CG2 4.42Å; V1094-T1097 HydrophobicContact CG2-CG2 3.87Å; V1094-I1100 HydrophobicContact CG1-CD1 3.98Å; V1094-I1100 HydrophobicContact CG2-CD1 4.25Å; V1094-D1117 WeakPolarHBondContact CA-OD2 3.42Å; V1094-D1117 VanDerWaalsContact CB-OD2 3.31Å; V1094-D1117 WeakPolarHBondContact CB-OD2 3.34Å; V1094-D1117 HydrophobicContact CG1-CB 4.09Å; V1094-D1117 VanDerWaalsContact CG1-OD2 3.28Å; V1094-D1117 WeakPolarHBondContact CG1-OD2 2.74Å; V1094-I1125 HydrophobicContact CG1-CD1 3.46Å; V1094-I1125 VanDerWaalsContact CG1-CD1 3.46Å; V1094-I1125 HydrophobicContact CG2-CG2 4.48Å |
| 1095 | V | 79.7 | Confident | 71.4 | Confident | 90.6 Ų | 90.6 | 67.1 Ų | 67.1 | 55% | 0.549 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -71.2 | -42.4 | -178.9 | -176.1 | 0 | 0 | 0 | 0 | 111.7 | N1071 D1117 A1120 | N1071-V1095 PolarHBondContact ND2-O 2.88Å; V1095-D1117 PolarHBondContact N-OD2 3.23Å; V1095-A1120 HydrophobicContact CB-CB 4.49Å; V1095-A1120 HydrophobicContact CG2-CB 3.98Å |
| 1096 | D | 73.9 | Confident | 71.3 | Confident | 28.2 Ų | 28.2 | 62.8 Ų | 62.8 | 15% | 0.151 | 32% | 0.317 | C | S | . | . | trans | -146.4 | 115.9 | 175.3 | -173.9 | -5.8 | 0 | 0 | 0 | 111.3 | V1094 R1098 H1099 | V1094-D1096 WeakPolarHBondContact CG1-O 3.47Å; D1096-R1098 VanDerWaalsContact CG-NE 3.33Å; D1096-R1098 PolarHBondContact O-N 3.08Å; D1096-R1098 VanDerWaalsContact O-N 3.13Å; D1096-R1098 VanDerWaalsContact OD1-CB 3.28Å; D1096-R1098 WeakPolarHBondContact OD1-CB 3.39Å; D1096-R1098 VanDerWaalsContact OD1-CG 3.31Å; D1096-R1098 WeakPolarHBondContact OD1-CG 3.27Å; D1096-R1098 IonicContact OD1-CZ 3.39Å; D1096-R1098 PolarHBondContact OD1-N 3.29Å; D1096-R1098 IonicContact OD1-NE 3.01Å; D1096-R1098 PolarHBondContact OD1-NE 2.75Å; D1096-R1098 IonicContact OD1-NH2 3.27Å; D1096-R1098 PolarHBondContact OD1-NH2 3.39Å; D1096-R1098 WeakPolarHBondContact OD2-CB 3.5Å; D1096-R1098 IonicContact OD2-CZ 3.02Å; D1096-R1098 VanDerWaalsContact OD2-CZ 3.26Å; D1096-R1098 IonicContact OD2-NE 3.27Å; D1096-R1098 PolarHBondContact OD2-NE 2.99Å; D1096-R1098 VanDerWaalsContact OD2-NE 3.09Å; D1096-R1098 IonicContact OD2-NH2 3.08Å; D1096-R1098 PolarHBondContact OD2-NH2 3.03Å; D1096-H1099 PolarHBondContact O-N 3.2Å; D1096-H1099 IonicContact OD2-CE1 3.4Å; D1096-H1099 PolarHBondContact OD2-CE1 3.12Å; D1096-H1099 VanDerWaalsContact OD2-CE1 3.29Å; D1096-H1099 IonicContact OD2-CG 3.95Å; D1096-H1099 IonicContact OD2-ND1 3.27Å; D1096-H1099 PolarHBondContact OD2-ND1 2.98Å | ||
| 1097 | T | 73 | Confident | 70.9 | Confident | 49.4 Ų | 49.4 | 68.2 Ų | 68.2 | 30% | 0.303 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -68.1 | -13.4 | -177.6 | 52.7 | 0 | 0 | 0 | 0 | 114 | W1069 N1071 V1094 H1099 I1100 | W1069-T1097 HydrophobicContact CB-CG2 4.28Å; W1069-T1097 WeakPolarHBondContact O-CG2 3.37Å; N1071-T1097 HydrophobicContact CB-CG2 4.39Å; V1094-T1097 HydrophobicContact CB-CG2 4.42Å; V1094-T1097 HydrophobicContact CG2-CG2 3.87Å; T1097-H1099 VanDerWaalsContact C-N 3.31Å; T1097-H1099 PolarHBondContact O-N 2.64Å; T1097-I1100 HydrophobicContact CG2-CD1 4.23Å; T1097-I1100 WeakPolarHBondContact O-CD1 3.35Å; T1097-I1100 WeakPolarHBondContact O-CG1 3.35Å; T1097-I1100 PolarHBondContact O-N 3.47Å |
| 1098 | R | 69.8 | Low | 70.5 | Confident | 186.6 Ų | 186.6 | 71.2 Ų | 71.2 | 70% | 0.704 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -71.3 | -23.4 | -178.3 | -65.9 | 173.9 | -74.4 | -165.3 | 0.8 | 113.5 | D1096 I1100 | D1096-R1098 VanDerWaalsContact CG-NE 3.33Å; D1096-R1098 PolarHBondContact O-N 3.08Å; D1096-R1098 VanDerWaalsContact O-N 3.13Å; D1096-R1098 VanDerWaalsContact OD1-CB 3.28Å; D1096-R1098 WeakPolarHBondContact OD1-CB 3.39Å; D1096-R1098 VanDerWaalsContact OD1-CG 3.31Å; D1096-R1098 WeakPolarHBondContact OD1-CG 3.27Å; D1096-R1098 IonicContact OD1-CZ 3.39Å; D1096-R1098 PolarHBondContact OD1-N 3.29Å; D1096-R1098 IonicContact OD1-NE 3.01Å; D1096-R1098 PolarHBondContact OD1-NE 2.75Å; D1096-R1098 IonicContact OD1-NH2 3.27Å; D1096-R1098 PolarHBondContact OD1-NH2 3.39Å; D1096-R1098 WeakPolarHBondContact OD2-CB 3.5Å; D1096-R1098 IonicContact OD2-CZ 3.02Å; D1096-R1098 VanDerWaalsContact OD2-CZ 3.26Å; D1096-R1098 IonicContact OD2-NE 3.27Å; D1096-R1098 PolarHBondContact OD2-NE 2.99Å; D1096-R1098 VanDerWaalsContact OD2-NE 3.09Å; D1096-R1098 IonicContact OD2-NH2 3.08Å; D1096-R1098 PolarHBondContact OD2-NH2 3.03Å; R1098-I1100 VanDerWaalsContact C-N 3.3Å; R1098-I1100 PolarHBondContact O-N 2.85Å |
| 1099 | H | 66 | Low | 69.8 | Low | 99 Ų | 99 | 80.4 Ų | 80.4 | 46% | 0.458 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -85.5 | -2.1 | -175.9 | -63.1 | 108.8 | 0 | 0 | 0 | 114.5 | D1096 T1097 L1101 G1102 D1117 P1118 G1119 | D1096-H1099 PolarHBondContact O-N 3.2Å; D1096-H1099 IonicContact OD2-CE1 3.4Å; D1096-H1099 PolarHBondContact OD2-CE1 3.12Å; D1096-H1099 VanDerWaalsContact OD2-CE1 3.29Å; D1096-H1099 IonicContact OD2-CG 3.95Å; D1096-H1099 IonicContact OD2-ND1 3.27Å; D1096-H1099 PolarHBondContact OD2-ND1 2.98Å; T1097-H1099 VanDerWaalsContact C-N 3.31Å; T1097-H1099 PolarHBondContact O-N 2.64Å; H1099-L1101 VanDerWaalsContact C-N 3.29Å; H1099-L1101 PolarHBondContact O-N 3.19Å; H1099-L1101 VanDerWaalsContact O-N 3.13Å; H1099-G1102 PolarHBondContact O-N 3.29Å; H1099-G1102 VanDerWaalsContact O-N 3.1Å; H1099-D1117 VanDerWaalsContact CB-OD1 3.23Å; H1099-D1117 WeakPolarHBondContact CB-OD1 3.38Å; H1099-P1118 HydrophobicContact CB-CB 4.05Å; H1099-P1118 HydrophobicContact CB-CG 4.22Å; H1099-P1118 WeakPolarHBondContact O-CG 3.34Å; H1099-G1119 PolarHBondContact O-N 2.93Å |
| 1100 | I | 65.2 | Low | 69.3 | Low | 28 Ų | 28 | 83.9 Ų | 83.9 | 14% | 0.144 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -75.4 | 19.1 | -173.3 | -57.1 | 177.7 | 0 | 0 | 0 | 112.3 | Q47 W1069 V1094 T1097 R1098 G1102 T1103 P1118 | Q47-I1100 PolarHBondContact NE2-O 2.98Å; W1069-I1100 HydrophobicContact CB-CD1 3.61Å; W1069-I1100 HydrophobicContact CD2-CD1 3.95Å; W1069-I1100 HydrophobicContact CD2-CG1 4.28Å; W1069-I1100 HydrophobicContact CD2-CG2 4.22Å; W1069-I1100 HydrophobicContact CE3-CB 4.48Å; W1069-I1100 HydrophobicContact CE3-CD1 3.71Å; W1069-I1100 VanDerWaalsContact CE3-CD1 3.48Å; W1069-I1100 HydrophobicContact CE3-CG1 4.01Å; W1069-I1100 HydrophobicContact CE3-CG2 4.15Å; W1069-I1100 HydrophobicContact CG-CD1 3.83Å; W1069-I1100 HydrophobicContact CG-CG2 4.42Å; W1069-I1100 HydrophobicContact CH2-CD1 4.23Å; W1069-I1100 HydrophobicContact CH2-CG2 4.24Å; W1069-I1100 HydrophobicContact CZ2-CG2 4.09Å; W1069-I1100 HydrophobicContact CZ3-CD1 3.66Å; W1069-I1100 HydrophobicContact CZ3-CG1 4.22Å; W1069-I1100 HydrophobicContact CZ3-CG2 4.38Å; V1094-I1100 HydrophobicContact CG1-CD1 3.98Å; V1094-I1100 HydrophobicContact CG2-CD1 4.25Å; T1097-I1100 HydrophobicContact CG2-CD1 4.23Å; T1097-I1100 WeakPolarHBondContact O-CD1 3.35Å; T1097-I1100 WeakPolarHBondContact O-CG1 3.35Å; T1097-I1100 PolarHBondContact O-N 3.47Å; R1098-I1100 VanDerWaalsContact C-N 3.3Å; R1098-I1100 PolarHBondContact O-N 2.85Å; I1100-G1102 PolarHBondContact O-N 3.31Å; I1100-T1103 HydrophobicContact CG2-CG2 4.09Å; I1100-T1103 WeakPolarHBondContact O-CG2 3.28Å; I1100-T1103 PolarHBondContact O-N 3.07Å; I1100-P1118 VanDerWaalsContact CD1-CD 3.47Å; I1100-P1118 HydrophobicContact CD1-CG 3.69Å |
| 1101 | L | 57.2 | Low | 68.8 | Low | 159.6 Ų | 159.6 | 84.7 Ų | 84.7 | 84% | 0.836 | 40% | 0.401 | S | S | * | . | trans | -79.1 | 17.4 | 176.3 | -69.9 | 167.7 | 0 | 0 | 0 | 113.4 | H1099 T1103 P1118 | H1099-L1101 VanDerWaalsContact C-N 3.29Å; H1099-L1101 PolarHBondContact O-N 3.19Å; H1099-L1101 VanDerWaalsContact O-N 3.13Å; L1101-T1103 PolarHBondContact O-N 3.49Å; L1101-T1103 VanDerWaalsContact O-N 3.16Å; L1101-P1118 VanDerWaalsContact C-CG 3.46Å; L1101-P1118 VanDerWaalsContact N-CG 3.27Å; L1101-P1118 WeakPolarHBondContact O-CG 3.32Å | ||
| 1102 | G | 56.3 | Low | 68.5 | Low | 26.6 Ų | 26.6 | 85.5 Ų | 85.5 | 27% | 0.274 | 41% | 0.407 | S | S | . | . | trans | -155 | 40.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 117 | H1099 I1100 R1104 I1105 | H1099-G1102 PolarHBondContact O-N 3.29Å; H1099-G1102 VanDerWaalsContact O-N 3.1Å; I1100-G1102 PolarHBondContact O-N 3.31Å; G1102-R1104 VanDerWaalsContact C-N 3.29Å; G1102-R1104 PolarHBondContact O-N 2.98Å; G1102-I1105 WeakPolarHBondContact O-CB 3.46Å; G1102-I1105 WeakPolarHBondContact O-CG1 3.29Å; G1102-I1105 PolarHBondContact O-N 3.2Å; G1102-I1105 VanDerWaalsContact O-N 3.07Å | ||
| 1103 | T | 59.2 | Low | 68.3 | Low | 68.4 Ų | 68.4 | 89.1 Ų | 89.1 | 42% | 0.42 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -21.2 | -170.7 | 56.5 | 0 | 0 | 0 | 0 | 116.5 | I45 W1069 I1100 L1101 I1105 C1106 R1107 | I45-T1103 HydrophobicContact CD1-CG2 4.1Å; W1069-T1103 HydrophobicContact CZ2-CG2 4.04Å; I1100-T1103 HydrophobicContact CG2-CG2 4.09Å; I1100-T1103 WeakPolarHBondContact O-CG2 3.28Å; I1100-T1103 PolarHBondContact O-N 3.07Å; L1101-T1103 PolarHBondContact O-N 3.49Å; L1101-T1103 VanDerWaalsContact O-N 3.16Å; T1103-I1105 VanDerWaalsContact C-N 3.26Å; T1103-I1105 PolarHBondContact O-N 3.09Å; T1103-C1106 PolarHBondContact O-N 3.44Å; T1103-R1107 PolarHBondContact O-N 2.69Å |
| 1104 | R | 62.4 | Low | 68.2 | Low | 168.6 Ų | 168.6 | 89 Ų | 89 | 64% | 0.636 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -63.8 | -33.1 | 176.5 | -82.2 | -175.2 | -173.3 | -179.3 | 2.4 | 113.1 | E89 D90 E547 T548 G1102 C1106 R1107 Q1108 | E89-R1104 IonicContact OE2-CZ 3.18Å; E89-R1104 IonicContact OE2-NH1 2.71Å; E89-R1104 PolarHBondContact OE2-NH1 2.84Å; E89-R1104 IonicContact OE2-NH2 2.73Å; E89-R1104 PolarHBondContact OE2-NH2 3.46Å; D90-R1104 IonicContact OD2-CZ 2.69Å; D90-R1104 IonicContact OD2-NE 2.72Å; D90-R1104 IonicContact OD2-NH2 3.76Å; D90-R1104 PolarHBondContact OD2-NH2 3.32Å; E547-R1104 VanDerWaalsContact CD-NH1 3.27Å; E547-R1104 IonicContact OE1-CZ 3.69Å; E547-R1104 IonicContact OE1-NH1 2.81Å; E547-R1104 PolarHBondContact OE1-NH1 2.71Å; E547-R1104 IonicContact OE1-NH2 2.71Å; E547-R1104 PolarHBondContact OE1-NH2 3.24Å; E547-R1104 IonicContact OE2-CZ 2.88Å; E547-R1104 IonicContact OE2-NE 2.65Å; E547-R1104 IonicContact OE2-NH1 3.17Å; E547-R1104 IonicContact OE2-NH2 4Å; E547-R1104 PolarHBondContact OE2-NH2 3.26Å; T548-R1104 VanDerWaalsContact OG1-CD 3.23Å; T548-R1104 WeakPolarHBondContact OG1-CD 3.5Å; T548-R1104 PolarHBondContact OG1-NH1 3.26Å; G1102-R1104 VanDerWaalsContact C-N 3.29Å; G1102-R1104 PolarHBondContact O-N 2.98Å; R1104-C1106 VanDerWaalsContact C-N 3.34Å; R1104-C1106 PolarHBondContact O-N 2.91Å; R1104-R1107 PolarHBondContact O-N 3.18Å; R1104-Q1108 WeakPolarHBondContact O-CB 3.36Å; R1104-Q1108 WeakPolarHBondContact O-CG 3.36Å; R1104-Q1108 PolarHBondContact O-N 2.88Å |
| 1105 | I | 64.4 | Low | 68.3 | Low | 84.2 Ų | 84.2 | 89.8 Ų | 89.8 | 43% | 0.432 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -68.2 | -43.5 | -173.7 | -60.6 | 173.5 | 0 | 0 | 0 | 111.3 | G1102 T1103 R1107 Q1108 R1109 Y1110 | G1102-I1105 WeakPolarHBondContact O-CB 3.46Å; G1102-I1105 WeakPolarHBondContact O-CG1 3.29Å; G1102-I1105 PolarHBondContact O-N 3.2Å; G1102-I1105 VanDerWaalsContact O-N 3.07Å; T1103-I1105 VanDerWaalsContact C-N 3.26Å; T1103-I1105 PolarHBondContact O-N 3.09Å; I1105-R1107 PolarHBondContact O-N 3.29Å; I1105-Q1108 PolarHBondContact O-N 3.18Å; I1105-R1109 HydrophobicContact CG2-CB 4.48Å; I1105-R1109 PolarHBondContact O-N 2.83Å; I1105-Y1110 HydrophobicContact CG2-CD2 4.08Å; I1105-Y1110 HydrophobicContact CG2-CE2 4.15Å |
| 1106 | C | 67.3 | Low | 68.4 | Low | 14.6 Ų | 14.6 | 85.6 Ų | 85.6 | 10% | 0.099 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61 | -40.6 | 178.6 | -63.5 | 0 | 0 | 0 | 0 | 112.6 | T1103 R1104 Q1108 Y1110 A1111 C1116 | T1103-C1106 PolarHBondContact O-N 3.44Å; R1104-C1106 VanDerWaalsContact C-N 3.34Å; R1104-C1106 PolarHBondContact O-N 2.91Å; C1106-Q1108 VanDerWaalsContact C-N 3.31Å; C1106-Q1108 PolarHBondContact O-N 3.3Å; C1106-Y1110 PolarHBondContact O-N 3.29Å; C1106-A1111 PolarHBondContact O-N 2.9Å; C1106-C1116 WeakPolarHBondContact CA-SG 3.28Å; C1106-C1116 HydrophobicContact CB-CB 3.67Å; C1106-C1116 WeakPolarHBondContact CB-SG 3.31Å; C1106-C1116 VanDerWaalsContact SG-CA 3.53Å; C1106-C1116 WeakPolarHBondContact SG-CA 3.45Å; C1106-C1116 WeakPolarHBondContact SG-CB 3.38Å; C1106-C1116 PolarHBondContact SG-N 3.06Å; C1106-C1116 VanDerWaalsContact SG-N 3.35Å; C1106-C1116 PolarHBondContact SG-O 2.98Å; C1106-C1116 VanDerWaalsContact SG-O 3.37Å; C1106-C1116 CovalentContact SG-SG 2.04Å; C1106-C1116 PolarHBondContact SG-SG 2.65Å |
| 1107 | R | 62.7 | Low | 68.6 | Low | 207 Ų | 207 | 84.4 Ų | 84.4 | 78% | 0.781 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -66.7 | -22.7 | -177.6 | -87.4 | -176.3 | 169.9 | 172.1 | -2.3 | 114.7 | T1103 R1104 I1105 | T1103-R1107 PolarHBondContact O-N 2.69Å; R1104-R1107 PolarHBondContact O-N 3.18Å; I1105-R1107 PolarHBondContact O-N 3.29Å |
| 1108 | Q | 62.4 | Low | 68.6 | Low | 155.4 Ų | 155.4 | 83.4 Ų | 83.4 | 73% | 0.726 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -105.7 | -23.2 | -172.5 | -71.3 | -176.1 | -25.3 | 0 | 0 | 115.2 | T548 R1104 I1105 C1106 | T548-Q1108 PolarHBondContact O-NE2 3.22Å; R1104-Q1108 WeakPolarHBondContact O-CB 3.36Å; R1104-Q1108 WeakPolarHBondContact O-CG 3.36Å; R1104-Q1108 PolarHBondContact O-N 2.88Å; I1105-Q1108 PolarHBondContact O-N 3.18Å; C1106-Q1108 VanDerWaalsContact C-N 3.31Å; C1106-Q1108 PolarHBondContact O-N 3.3Å |
| 1109 | R | 59.6 | Low | 68.7 | Low | 204.4 Ų | 204.4 | 76.2 Ų | 76.2 | 77% | 0.771 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -122.4 | -23.3 | -174.7 | -71.4 | -171.3 | 178 | -142.7 | -0.2 | 115.6 | I1105 | I1105-R1109 HydrophobicContact CG2-CB 4.48Å; I1105-R1109 PolarHBondContact O-N 2.83Å |
| 1110 | Y | 66.3 | Low | 69.1 | Low | 86.6 Ų | 86.6 | 73.5 Ų | 73.5 | 34% | 0.34 | 37% | 0.372 | S | S | . | . | trans | -118.7 | 51.9 | -167.3 | -60 | -77.7 | 0 | 0 | 0 | 112 | I1105 C1106 C1112 H1122 R1159 | I1105-Y1110 HydrophobicContact CG2-CD2 4.08Å; I1105-Y1110 HydrophobicContact CG2-CE2 4.15Å; C1106-Y1110 PolarHBondContact O-N 3.29Å; Y1110-C1112 VanDerWaalsContact C-N 3.27Å; Y1110-C1112 PolarHBondContact O-N 3.2Å; Y1110-C1112 VanDerWaalsContact O-N 3.13Å; Y1110-H1122 HydrophobicContact CD1-CB 4.03Å; Y1110-H1122 HydrophobicContact CD2-CB 3.77Å; Y1110-H1122 VanDerWaalsContact CD2-CB 3.45Å; Y1110-H1122 AromaticContact CD2-CG 3.54Å; Y1110-H1122 AromaticContact CD2-ND1 3.9Å; Y1110-H1122 HydrophobicContact CE1-CB 3.94Å; Y1110-H1122 VanDerWaalsContact CE1-CB 3.47Å; Y1110-H1122 AromaticContact CE1-CD2 3.89Å; Y1110-H1122 AromaticContact CE1-CG 3.98Å; Y1110-H1122 HydrophobicContact CE2-CB 3.67Å; Y1110-H1122 AromaticContact CE2-CD2 3.45Å; Y1110-H1122 WeakPolarHBondContact CE2-CD2 3.43Å; Y1110-H1122 AromaticContact CE2-CE1 3.74Å; Y1110-H1122 AromaticContact CE2-CG 3.65Å; Y1110-H1122 AromaticContact CE2-ND1 3.66Å; Y1110-H1122 WeakPolarHBondContact CE2-ND1 3.03Å; Y1110-H1122 AromaticContact CE2-NE2 3.55Å; Y1110-H1122 HydrophobicContact CG-CB 3.96Å; Y1110-H1122 VanDerWaalsContact CZ-CB 3.49Å; Y1110-H1122 AromaticContact CZ-CD2 3.5Å; Y1110-H1122 AromaticContact CZ-CG 3.49Å; Y1110-H1122 VanDerWaalsContact CZ-CG 3.49Å; Y1110-H1122 AromaticContact CZ-NE2 3.64Å; Y1110-H1122 PolarHBondContact OH-CD2 3.18Å; Y1110-H1122 VanDerWaalsContact OH-CD2 3.29Å; Y1110-H1122 PolarHBondContact OH-NE2 3.4Å; Y1110-R1159 PolarHBondContact O-NE 3.26Å | ||
| 1111 | A | 70.1 | Confident | 69.4 | Low | 58.4 Ų | 58.4 | 75.2 Ų | 75.2 | 48% | 0.483 | 40% | 0.396 | S | S | . | . | trans | -30.8 | 63.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | C1106 M1151 R1159 | C1106-A1111 PolarHBondContact O-N 2.9Å; A1111-M1151 HydrophobicContact CB-CE 3.59Å; A1111-M1151 VanDerWaalsContact CB-CE 3.43Å; A1111-M1151 HydrophobicContact CB-SD 4.16Å; A1111-R1159 WeakPolarHBondContact O-CD 3.05Å; A1111-R1159 WeakPolarHBondContact O-CG 3.45Å | ||
| 1112 | C | 78.1 | Confident | 70.2 | Confident | 23.8 Ų | 23.8 | 69.9 Ų | 69.9 | 16% | 0.161 | 37% | 0.367 | C | S | . | . | trans | -87 | 141.7 | 173.5 | -57.5 | 0 | 0 | 0 | 0 | 110.5 | Y1110 H1114 S1115 C1116 C1124 | Y1110-C1112 VanDerWaalsContact C-N 3.27Å; Y1110-C1112 PolarHBondContact O-N 3.2Å; Y1110-C1112 VanDerWaalsContact O-N 3.13Å; C1112-H1114 PolarHBondContact O-N 3.31Å; C1112-S1115 VanDerWaalsContact CB-O 3.24Å; C1112-S1115 WeakPolarHBondContact CB-O 3.16Å; C1112-C1116 HydrophobicContact CB-CB 4.41Å; C1112-C1116 VanDerWaalsContact SG-CB 3.53Å; C1112-C1124 VanDerWaalsContact CA-SG 3.55Å; C1112-C1124 WeakPolarHBondContact CA-SG 3.31Å; C1112-C1124 HydrophobicContact CB-CB 3.61Å; C1112-C1124 WeakPolarHBondContact CB-SG 3.37Å; C1112-C1124 WeakPolarHBondContact SG-CA 3.3Å; C1112-C1124 WeakPolarHBondContact SG-CB 3.37Å; C1112-C1124 CovalentContact SG-SG 2.03Å; C1112-C1124 PolarHBondContact SG-SG 3.02Å | ||
| 1113 | D | 77.9 | Confident | 71.3 | Confident | 85.2 Ų | 85.2 | 71 Ų | 71 | 46% | 0.456 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -63.5 | -39.2 | -179 | -176 | 33.7 | 0 | 0 | 0 | 113 | R1159 I1160 C1161 | D1113-R1159 VanDerWaalsContact CB-O 3.29Å; D1113-R1159 WeakPolarHBondContact CB-O 3.38Å; D1113-R1159 PolarHBondContact N-O 3.27Å; D1113-R1159 VanDerWaalsContact N-O 3.1Å; D1113-I1160 HydrophobicContact CB-CG1 4.3Å; D1113-C1161 WeakPolarHBondContact OD2-CB 3.4Å; D1113-C1161 PolarHBondContact OD2-N 3.05Å |
| 1114 | H | 81.1 | Confident | 72.4 | Confident | 41.8 Ų | 41.8 | 68.5 Ų | 68.5 | 19% | 0.194 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -111.7 | -62.7 | 179.4 | -80.9 | 161.1 | 0 | 0 | 0 | 114.5 | Y1092 C1112 I1125 Q1127 Y1130 C1161 | Y1092-H1114 HydrophobicContact CE1-CB 4.33Å; Y1092-H1114 PolarHBondContact OH-O 3.26Å; Y1092-H1114 VanDerWaalsContact OH-O 3.06Å; C1112-H1114 PolarHBondContact O-N 3.31Å; H1114-I1125 VanDerWaalsContact CB-O 3.28Å; H1114-I1125 WeakPolarHBondContact CB-O 3.33Å; H1114-Q1127 HydrophobicContact CB-CG 4.35Å; H1114-Q1127 PolarHBondContact CD2-NE2 2.97Å; H1114-Q1127 VanDerWaalsContact CD2-NE2 3.29Å; H1114-Q1127 PolarHBondContact CE1-NE2 3.22Å; H1114-Q1127 PolarHBondContact ND1-N 2.98Å; H1114-Q1127 PolarHBondContact NE2-NE2 3Å; H1114-Q1127 VanDerWaalsContact NE2-NE2 3.13Å; H1114-Y1130 AromaticContact CE1-CD1 3.78Å; H1114-Y1130 AromaticContact CE1-CD2 3.78Å; H1114-Y1130 AromaticContact CE1-CE1 3.92Å; H1114-Y1130 AromaticContact CE1-CE2 3.96Å; H1114-Y1130 AromaticContact CE1-CG 3.63Å; H1114-C1161 HydrophobicContact CB-CB 4.45Å; H1114-C1161 WeakPolarHBondContact ND1-CB 3.38Å; H1114-C1161 PolarHBondContact ND1-SG 3.07Å |
| 1115 | S | 81.6 | Confident | 73.5 | Confident | 18.6 Ų | 18.6 | 61.4 Ų | 61.4 | 13% | 0.13 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | -177 | 177.1 | -163.2 | 0 | 0 | 0 | 0 | 111 | W1069 Y1092 C1112 C1124 I1125 | W1069-S1115 VanDerWaalsContact CH2-OG 3.26Å; W1069-S1115 WeakPolarHBondContact CH2-OG 3.22Å; Y1092-S1115 VanDerWaalsContact CE1-CB 3.45Å; C1112-S1115 VanDerWaalsContact CB-O 3.24Å; C1112-S1115 WeakPolarHBondContact CB-O 3.16Å; S1115-C1124 CarbonylContact O-C 3.59Å; S1115-C1124 VanDerWaalsContact O-CA 3.31Å; S1115-C1124 WeakPolarHBondContact O-CA 3.27Å; S1115-I1125 PolarHBondContact N-O 3.01Å; S1115-I1125 VanDerWaalsContact N-O 3.09Å; S1115-I1125 PolarHBondContact O-N 2.99Å |
| 1116 | C | 81.3 | Confident | 74.5 | Confident | 2.4 Ų | 2.4 | 58.2 Ų | 58.2 | 2% | 0.016 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 151.3 | 173.1 | 102 | 0 | 0 | 0 | 0 | 111.4 | W1069 C1106 C1112 P1118 A1123 I1125 | W1069-C1116 WeakPolarHBondContact CH2-O 3.42Å; W1069-C1116 VanDerWaalsContact CZ3-O 3.28Å; W1069-C1116 WeakPolarHBondContact CZ3-O 3.49Å; C1106-C1116 WeakPolarHBondContact CA-SG 3.28Å; C1106-C1116 HydrophobicContact CB-CB 3.67Å; C1106-C1116 WeakPolarHBondContact CB-SG 3.31Å; C1106-C1116 VanDerWaalsContact SG-CA 3.53Å; C1106-C1116 WeakPolarHBondContact SG-CA 3.45Å; C1106-C1116 WeakPolarHBondContact SG-CB 3.38Å; C1106-C1116 PolarHBondContact SG-N 3.06Å; C1106-C1116 VanDerWaalsContact SG-N 3.35Å; C1106-C1116 PolarHBondContact SG-O 2.98Å; C1106-C1116 VanDerWaalsContact SG-O 3.37Å; C1106-C1116 CovalentContact SG-SG 2.04Å; C1106-C1116 PolarHBondContact SG-SG 2.65Å; C1112-C1116 HydrophobicContact CB-CB 4.41Å; C1112-C1116 VanDerWaalsContact SG-CB 3.53Å; C1116-P1118 WeakPolarHBondContact O-CD 3.4Å; C1116-A1123 CarbonylContact C-O 3.42Å; C1116-A1123 VanDerWaalsContact CA-O 3.27Å; C1116-A1123 WeakPolarHBondContact CA-O 3.3Å; C1116-A1123 WeakPolarHBondContact CB-O 3.49Å; C1116-I1125 VanDerWaalsContact O-CD1 3.26Å; C1116-I1125 WeakPolarHBondContact O-CD1 3.49Å |
| 1117 | D | 79.2 | Confident | 75.3 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 109.5 | 171.4 | -174.6 | -13.1 | 0 | 0 | 0 | 110.1 | V1094 V1095 H1099 G1119 A1120 H1122 A1123 I1125 | V1094-D1117 WeakPolarHBondContact CA-OD2 3.42Å; V1094-D1117 VanDerWaalsContact CB-OD2 3.31Å; V1094-D1117 WeakPolarHBondContact CB-OD2 3.34Å; V1094-D1117 HydrophobicContact CG1-CB 4.09Å; V1094-D1117 VanDerWaalsContact CG1-OD2 3.28Å; V1094-D1117 WeakPolarHBondContact CG1-OD2 2.74Å; V1095-D1117 PolarHBondContact N-OD2 3.23Å; H1099-D1117 VanDerWaalsContact CB-OD1 3.23Å; H1099-D1117 WeakPolarHBondContact CB-OD1 3.38Å; D1117-G1119 VanDerWaalsContact C-N 3.27Å; D1117-G1119 PolarHBondContact O-N 3.23Å; D1117-G1119 VanDerWaalsContact OD1-CA 3.32Å; D1117-G1119 WeakPolarHBondContact OD1-CA 3.31Å; D1117-G1119 PolarHBondContact OD1-N 3.06Å; D1117-A1120 HydrophobicContact CB-CB 3.86Å; D1117-A1120 VanDerWaalsContact CG-CB 3.44Å; D1117-A1120 CarbonylContact O-C 3.6Å; D1117-A1120 PolarHBondContact O-N 2.9Å; D1117-A1120 PolarHBondContact OD1-N 2.84Å; D1117-H1122 VanDerWaalsContact O-CA 3.27Å; D1117-H1122 WeakPolarHBondContact O-CA 3.39Å; D1117-H1122 PolarHBondContact O-N 3.24Å; D1117-H1122 VanDerWaalsContact O-N 3.09Å; D1117-A1123 PolarHBondContact N-O 3.16Å; D1117-I1125 HydrophobicContact CB-CD1 4.12Å; D1117-I1125 HydrophobicContact CB-CG1 4.17Å; D1117-I1125 HydrophobicContact CB-CG2 3.63Å |
| 1118 | P | 72 | Confident | 76.2 | Confident | 28.4 Ų | 28.4 | 53.4 Ų | 53.4 | 18% | 0.184 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -23.8 | 176.2 | 9 | -7.9 | 0 | 0 | 0 | 113.7 | H1099 I1100 L1101 C1116 A1120 G1121 | H1099-P1118 HydrophobicContact CB-CB 4.05Å; H1099-P1118 HydrophobicContact CB-CG 4.22Å; H1099-P1118 WeakPolarHBondContact O-CG 3.34Å; I1100-P1118 VanDerWaalsContact CD1-CD 3.47Å; I1100-P1118 HydrophobicContact CD1-CG 3.69Å; L1101-P1118 VanDerWaalsContact C-CG 3.46Å; L1101-P1118 VanDerWaalsContact N-CG 3.27Å; L1101-P1118 WeakPolarHBondContact O-CG 3.32Å; C1116-P1118 WeakPolarHBondContact O-CD 3.4Å; P1118-A1120 VanDerWaalsContact C-N 3.34Å; P1118-G1121 PolarHBondContact O-N 2.96Å |
| 1119 | G | 71.4 | Confident | 77.1 | Confident | 34.8 Ų | 34.8 | 46.6 Ų | 46.6 | 36% | 0.359 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -28.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | H1099 D1117 G1121 | H1099-G1119 PolarHBondContact O-N 2.93Å; D1117-G1119 VanDerWaalsContact C-N 3.27Å; D1117-G1119 PolarHBondContact O-N 3.23Å; D1117-G1119 VanDerWaalsContact OD1-CA 3.32Å; D1117-G1119 WeakPolarHBondContact OD1-CA 3.31Å; D1117-G1119 PolarHBondContact OD1-N 3.06Å; G1119-G1121 VanDerWaalsContact C-N 3.31Å; G1119-G1121 PolarHBondContact O-N 2.97Å |
| 1120 | A | 74.5 | Confident | 78.3 | Confident | 42.8 Ų | 42.8 | 39.5 Ų | 39.5 | 35% | 0.354 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 37.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V1095 D1117 P1118 H1122 A1123 | V1095-A1120 HydrophobicContact CB-CB 4.49Å; V1095-A1120 HydrophobicContact CG2-CB 3.98Å; D1117-A1120 HydrophobicContact CB-CB 3.86Å; D1117-A1120 VanDerWaalsContact CG-CB 3.44Å; D1117-A1120 CarbonylContact O-C 3.6Å; D1117-A1120 PolarHBondContact O-N 2.9Å; D1117-A1120 PolarHBondContact OD1-N 2.84Å; P1118-A1120 VanDerWaalsContact C-N 3.34Å; A1120-H1122 VanDerWaalsContact C-N 3.32Å; A1120-H1122 PolarHBondContact O-N 3.14Å; A1120-A1123 HydrophobicContact CB-CB 4.29Å; A1120-A1123 VanDerWaalsContact O-CB 3.31Å; A1120-A1123 WeakPolarHBondContact O-CB 3.29Å; A1120-A1123 PolarHBondContact O-N 3.03Å; A1120-A1123 VanDerWaalsContact O-N 3.11Å |
| 1121 | G | 72.2 | Confident | 79.3 | Confident | 62.6 Ų | 62.6 | 39.8 Ų | 39.8 | 65% | 0.645 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 28.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | P1118 G1119 A1123 | P1118-G1121 PolarHBondContact O-N 2.96Å; G1119-G1121 VanDerWaalsContact C-N 3.31Å; G1119-G1121 PolarHBondContact O-N 2.97Å; G1121-A1123 VanDerWaalsContact C-N 3.27Å; G1121-A1123 PolarHBondContact O-N 2.95Å |
| 1122 | H | 73.7 | Confident | 79.9 | Confident | 49.2 Ų | 49.2 | 40.5 Ų | 40.5 | 23% | 0.228 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | 23 | -174.2 | -47.1 | -64.6 | 0 | 0 | 0 | 114.8 | Y1110 D1117 A1120 | Y1110-H1122 HydrophobicContact CD1-CB 4.03Å; Y1110-H1122 HydrophobicContact CD2-CB 3.77Å; Y1110-H1122 VanDerWaalsContact CD2-CB 3.45Å; Y1110-H1122 AromaticContact CD2-CG 3.54Å; Y1110-H1122 AromaticContact CD2-ND1 3.9Å; Y1110-H1122 HydrophobicContact CE1-CB 3.94Å; Y1110-H1122 VanDerWaalsContact CE1-CB 3.47Å; Y1110-H1122 AromaticContact CE1-CD2 3.89Å; Y1110-H1122 AromaticContact CE1-CG 3.98Å; Y1110-H1122 HydrophobicContact CE2-CB 3.67Å; Y1110-H1122 AromaticContact CE2-CD2 3.45Å; Y1110-H1122 WeakPolarHBondContact CE2-CD2 3.43Å; Y1110-H1122 AromaticContact CE2-CE1 3.74Å; Y1110-H1122 AromaticContact CE2-CG 3.65Å; Y1110-H1122 AromaticContact CE2-ND1 3.66Å; Y1110-H1122 WeakPolarHBondContact CE2-ND1 3.03Å; Y1110-H1122 AromaticContact CE2-NE2 3.55Å; Y1110-H1122 HydrophobicContact CG-CB 3.96Å; Y1110-H1122 VanDerWaalsContact CZ-CB 3.49Å; Y1110-H1122 AromaticContact CZ-CD2 3.5Å; Y1110-H1122 AromaticContact CZ-CG 3.49Å; Y1110-H1122 VanDerWaalsContact CZ-CG 3.49Å; Y1110-H1122 AromaticContact CZ-NE2 3.64Å; Y1110-H1122 PolarHBondContact OH-CD2 3.18Å; Y1110-H1122 VanDerWaalsContact OH-CD2 3.29Å; Y1110-H1122 PolarHBondContact OH-NE2 3.4Å; D1117-H1122 VanDerWaalsContact O-CA 3.27Å; D1117-H1122 WeakPolarHBondContact O-CA 3.39Å; D1117-H1122 PolarHBondContact O-N 3.24Å; D1117-H1122 VanDerWaalsContact O-N 3.09Å; A1120-H1122 VanDerWaalsContact C-N 3.32Å; A1120-H1122 PolarHBondContact O-N 3.14Å |
| 1123 | A | 79.1 | Confident | 80 | Confident | 50 Ų | 50 | 39.6 Ų | 39.6 | 41% | 0.413 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 141.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | C1116 D1117 A1120 G1121 I1125 | C1116-A1123 CarbonylContact C-O 3.42Å; C1116-A1123 VanDerWaalsContact CA-O 3.27Å; C1116-A1123 WeakPolarHBondContact CA-O 3.3Å; C1116-A1123 WeakPolarHBondContact CB-O 3.49Å; D1117-A1123 PolarHBondContact N-O 3.16Å; A1120-A1123 HydrophobicContact CB-CB 4.29Å; A1120-A1123 VanDerWaalsContact O-CB 3.31Å; A1120-A1123 WeakPolarHBondContact O-CB 3.29Å; A1120-A1123 PolarHBondContact O-N 3.03Å; A1120-A1123 VanDerWaalsContact O-N 3.11Å; G1121-A1123 VanDerWaalsContact C-N 3.27Å; G1121-A1123 PolarHBondContact O-N 2.95Å; A1123-I1125 PolarHBondContact O-N 3.41Å |
| 1124 | C | 82.8 | Confident | 80 | Confident | 15.4 Ų | 15.4 | 36.6 Ų | 36.6 | 10% | 0.104 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 139.5 | 175.4 | -61.4 | 0 | 0 | 0 | 0 | 110.7 | C1112 S1115 L1132 G1158 | C1112-C1124 VanDerWaalsContact CA-SG 3.55Å; C1112-C1124 WeakPolarHBondContact CA-SG 3.31Å; C1112-C1124 HydrophobicContact CB-CB 3.61Å; C1112-C1124 WeakPolarHBondContact CB-SG 3.37Å; C1112-C1124 WeakPolarHBondContact SG-CA 3.3Å; C1112-C1124 WeakPolarHBondContact SG-CB 3.37Å; C1112-C1124 CovalentContact SG-SG 2.03Å; C1112-C1124 PolarHBondContact SG-SG 3.02Å; S1115-C1124 CarbonylContact O-C 3.59Å; S1115-C1124 VanDerWaalsContact O-CA 3.31Å; S1115-C1124 WeakPolarHBondContact O-CA 3.27Å; C1124-L1132 HydrophobicContact CB-CD2 4.11Å; C1124-L1132 WeakPolarHBondContact O-CD1 3.32Å; C1124-G1158 WeakPolarHBondContact CB-O 3.24Å |
| 1125 | I | 84.9 | Confident | 79.5 | Confident | 20 Ų | 20 | 39.6 Ų | 39.6 | 10% | 0.103 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 145.5 | 176.6 | 48.9 | 175.8 | 0 | 0 | 0 | 110.4 | W1069 Y1092 D1093 V1094 H1114 S1115 C1116 D1117 A1123 | W1069-I1125 HydrophobicContact CE3-CD1 4.33Å; W1069-I1125 HydrophobicContact CH2-CD1 4.39Å; W1069-I1125 HydrophobicContact CZ3-CB 4.4Å; W1069-I1125 HydrophobicContact CZ3-CD1 3.68Å; W1069-I1125 HydrophobicContact CZ3-CG2 4.16Å; Y1092-I1125 HydrophobicContact CD1-CD1 3.89Å; Y1092-I1125 HydrophobicContact CD1-CG1 4.03Å; Y1092-I1125 HydrophobicContact CD1-CG2 4.17Å; Y1092-I1125 HydrophobicContact CG-CD1 4.21Å; D1093-I1125 WeakPolarHBondContact O-CG2 3.47Å; V1094-I1125 HydrophobicContact CG1-CD1 3.46Å; V1094-I1125 VanDerWaalsContact CG1-CD1 3.46Å; V1094-I1125 HydrophobicContact CG2-CG2 4.48Å; H1114-I1125 VanDerWaalsContact CB-O 3.28Å; H1114-I1125 WeakPolarHBondContact CB-O 3.33Å; S1115-I1125 PolarHBondContact N-O 3.01Å; S1115-I1125 VanDerWaalsContact N-O 3.09Å; S1115-I1125 PolarHBondContact O-N 2.99Å; C1116-I1125 VanDerWaalsContact O-CD1 3.26Å; C1116-I1125 WeakPolarHBondContact O-CD1 3.49Å; D1117-I1125 HydrophobicContact CB-CD1 4.12Å; D1117-I1125 HydrophobicContact CB-CG1 4.17Å; D1117-I1125 HydrophobicContact CB-CG2 3.63Å; A1123-I1125 PolarHBondContact O-N 3.41Å |
| 1126 | C | 85.7 | Confident | 79.2 | Confident | 17 Ų | 17 | 48.2 Ų | 48.2 | 12% | 0.115 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -99.4 | 154.1 | 177.6 | -62 | 0 | 0 | 0 | 0 | 111.8 | D1093 Y1130 R1131 L1132 C1161 | D1093-C1126 PolarHBondContact N-O 3.19Å; C1126-Y1130 WeakPolarHBondContact CB-O 3.24Å; C1126-R1131 VanDerWaalsContact SG-C 3.52Å; C1126-L1132 VanDerWaalsContact SG-CD2 3.58Å; C1126-L1132 PolarHBondContact SG-N 3.11Å; C1126-L1132 VanDerWaalsContact SG-N 3.42Å; C1126-C1161 WeakPolarHBondContact CA-SG 3.34Å; C1126-C1161 HydrophobicContact CB-CB 3.83Å; C1126-C1161 WeakPolarHBondContact CB-SG 3.38Å; C1126-C1161 VanDerWaalsContact SG-CA 3.5Å; C1126-C1161 WeakPolarHBondContact SG-CA 3.35Å; C1126-C1161 WeakPolarHBondContact SG-CB 3.29Å; C1126-C1161 CovalentContact SG-SG 2.04Å; C1126-C1161 PolarHBondContact SG-SG 2.91Å |
| 1127 | Q | 85 | Confident | 78.8 | Confident | 32.2 Ų | 32.2 | 48.9 Ų | 48.9 | 15% | 0.15 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -64.7 | 148.2 | 167.2 | -62.5 | -178.7 | 68.1 | 0 | 0 | 110.3 | H1090 I1091 Y1092 H1114 G1129 Y1130 | H1090-Q1127 HydrophobicContact CB-CG 4.39Å; H1090-Q1127 VanDerWaalsContact ND1-CD 3.34Å; H1090-Q1127 PolarHBondContact ND1-OE1 3.11Å; I1091-Q1127 CarbonylContact O-C 3.37Å; I1091-Q1127 VanDerWaalsContact O-CA 3.29Å; I1091-Q1127 WeakPolarHBondContact O-CA 3.39Å; Y1092-Q1127 HydrophobicContact CD1-CG 4.29Å; Y1092-Q1127 HydrophobicContact CE1-CG 3.66Å; Y1092-Q1127 HydrophobicContact CE2-CG 4.48Å; H1114-Q1127 HydrophobicContact CB-CG 4.35Å; H1114-Q1127 PolarHBondContact CD2-NE2 2.97Å; H1114-Q1127 VanDerWaalsContact CD2-NE2 3.29Å; H1114-Q1127 PolarHBondContact CE1-NE2 3.22Å; H1114-Q1127 PolarHBondContact ND1-N 2.98Å; H1114-Q1127 PolarHBondContact NE2-NE2 3Å; H1114-Q1127 VanDerWaalsContact NE2-NE2 3.13Å; Q1127-G1129 PolarHBondContact O-N 2.96Å; Q1127-Y1130 HydrophobicContact CB-CD2 4.07Å; Q1127-Y1130 HydrophobicContact CB-CE2 4.47Å; Q1127-Y1130 WeakPolarHBondContact O-CA 3.25Å; Q1127-Y1130 WeakPolarHBondContact O-CB 3.38Å; Q1127-Y1130 PolarHBondContact O-N 3.11Å |
| 1128 | R | 82.2 | Confident | 78.4 | Confident | 89.4 Ų | 89.4 | 56.8 Ų | 56.8 | 34% | 0.337 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 125 | 175.3 | -165.4 | 174.6 | -175.1 | 138 | -3.5 | 110.2 | I973 T1076 R1086 I1091 D1093 | I973-R1128 HydrophobicContact CG2-CG 4.4Å; T1076-R1128 PolarHBondContact O-NH1 2.87Å; T1076-R1128 PolarHBondContact O-NH2 3.16Å; R1086-R1128 PolarHBondContact NH2-O 2.99Å; I1091-R1128 HydrophobicContact CB-CB 4.11Å; I1091-R1128 HydrophobicContact CG2-CB 4.16Å; I1091-R1128 PolarHBondContact O-N 3.27Å; D1093-R1128 VanDerWaalsContact CG-NH1 3.33Å; D1093-R1128 IonicContact OD1-CZ 2.82Å; D1093-R1128 IonicContact OD1-NH1 3.67Å; D1093-R1128 PolarHBondContact OD1-NH1 3.28Å; D1093-R1128 IonicContact OD1-NH2 2.66Å; D1093-R1128 PolarHBondContact OD1-NH2 2.83Å; D1093-R1128 WeakPolarHBondContact OD2-CD 3.26Å; D1093-R1128 WeakPolarHBondContact OD2-CG 3.35Å; D1093-R1128 IonicContact OD2-CZ 3.6Å; D1093-R1128 IonicContact OD2-NE 3.47Å; D1093-R1128 IonicContact OD2-NH1 3.09Å; D1093-R1128 PolarHBondContact OD2-NH1 3.05Å; D1093-R1128 VanDerWaalsContact OD2-NH1 3.13Å; D1093-R1128 IonicContact OD2-NH2 2.79Å; D1093-R1128 PolarHBondContact OD2-NH2 3.22Å |
| 1129 | G | 79.7 | Confident | 78.3 | Confident | 11.2 Ų | 11.2 | 59.3 Ų | 59.3 | 12% | 0.115 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 107.8 | -14.6 | -165.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q1127 I1164 | Q1127-G1129 PolarHBondContact O-N 2.96Å; G1129-I1164 VanDerWaalsContact O-CB 3.32Å; G1129-I1164 WeakPolarHBondContact O-CB 3.39Å; G1129-I1164 VanDerWaalsContact O-CG1 3.3Å; G1129-I1164 WeakPolarHBondContact O-CG1 3.4Å; G1129-I1164 PolarHBondContact O-N 2.93Å; G1129-I1164 VanDerWaalsContact O-N 3.08Å |
| 1130 | Y | 86 | Confident | 78.2 | Confident | 54.8 Ų | 54.8 | 63.1 Ų | 63.1 | 22% | 0.215 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 154.3 | 178 | -61.6 | -102 | 0 | 0 | 0 | 111.4 | H1114 C1126 Q1127 C1161 L1162 D1163 P1187 G1188 | H1114-Y1130 AromaticContact CE1-CD1 3.78Å; H1114-Y1130 AromaticContact CE1-CD2 3.78Å; H1114-Y1130 AromaticContact CE1-CE1 3.92Å; H1114-Y1130 AromaticContact CE1-CE2 3.96Å; H1114-Y1130 AromaticContact CE1-CG 3.63Å; C1126-Y1130 WeakPolarHBondContact CB-O 3.24Å; Q1127-Y1130 HydrophobicContact CB-CD2 4.07Å; Q1127-Y1130 HydrophobicContact CB-CE2 4.47Å; Q1127-Y1130 WeakPolarHBondContact O-CA 3.25Å; Q1127-Y1130 WeakPolarHBondContact O-CB 3.38Å; Q1127-Y1130 PolarHBondContact O-N 3.11Å; Y1130-C1161 HydrophobicContact CD1-CB 4.4Å; Y1130-C1161 WeakPolarHBondContact CD1-O 3.42Å; Y1130-C1161 HydrophobicContact CG-CB 4.49Å; Y1130-L1162 CarbonylContact C-O 3.53Å; Y1130-L1162 VanDerWaalsContact CA-O 3.28Å; Y1130-L1162 WeakPolarHBondContact CA-O 3.37Å; Y1130-D1163 HydrophobicContact CD1-CB 4.25Å; Y1130-D1163 HydrophobicContact CE1-CB 4.11Å; Y1130-P1187 VanDerWaalsContact OH-C 3.29Å; Y1130-P1187 VanDerWaalsContact OH-CB 3.29Å; Y1130-P1187 WeakPolarHBondContact OH-CB 3.26Å; Y1130-P1187 PolarHBondContact OH-O 3.37Å; Y1130-G1188 VanDerWaalsContact CE2-CA 3.46Å |
| 1131 | R | 85.9 | Confident | 77.9 | Confident | 93.4 Ų | 93.4 | 61.6 Ų | 61.6 | 35% | 0.352 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 153 | 175.8 | 62.1 | 177.6 | -176 | 79.2 | -3.2 | 111.2 | C1126 D1137 C1161 L1162 I1164 | C1126-R1131 VanDerWaalsContact SG-C 3.52Å; R1131-D1137 IonicContact CZ-OD1 3.41Å; R1131-D1137 IonicContact CZ-OD2 3.48Å; R1131-D1137 VanDerWaalsContact NH1-CG 3.35Å; R1131-D1137 IonicContact NH1-OD1 3.08Å; R1131-D1137 PolarHBondContact NH1-OD1 2.86Å; R1131-D1137 IonicContact NH1-OD2 3.21Å; R1131-D1137 PolarHBondContact NH1-OD2 3.04Å; R1131-D1137 IonicContact NH2-OD1 2.95Å; R1131-D1137 PolarHBondContact NH2-OD1 3.22Å; R1131-D1137 IonicContact NH2-OD2 3.47Å; R1131-C1161 CarbonylContact O-C 3.56Å; R1131-C1161 WeakPolarHBondContact O-CA 3.36Å; R1131-L1162 HydrophobicContact CG-CB 4.47Å; R1131-L1162 PolarHBondContact N-O 2.97Å; R1131-L1162 PolarHBondContact O-N 3.17Å; R1131-I1164 HydrophobicContact CB-CD1 4.15Å; R1131-I1164 HydrophobicContact CB-CG1 4.02Å; R1131-I1164 HydrophobicContact CG-CD1 4.42Å; R1131-I1164 HydrophobicContact CG-CG1 3.85Å |
| 1132 | L | 83.9 | Confident | 77.6 | Confident | 73 Ų | 73 | 61.5 Ų | 61.5 | 38% | 0.382 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 142.2 | 173.8 | -68 | 167.8 | 0 | 0 | 0 | 111 | C1124 C1126 G1134 I1160 | C1124-L1132 HydrophobicContact CB-CD2 4.11Å; C1124-L1132 WeakPolarHBondContact O-CD1 3.32Å; C1126-L1132 VanDerWaalsContact SG-CD2 3.58Å; C1126-L1132 PolarHBondContact SG-N 3.11Å; C1126-L1132 VanDerWaalsContact SG-N 3.42Å; L1132-G1134 PolarHBondContact O-N 3.08Å; L1132-I1160 CarbonylContact C-O 3.55Å; L1132-I1160 WeakPolarHBondContact CA-O 3.36Å |
| 1133 | A | 80.6 | Confident | 77.1 | Confident | 4.6 Ų | 4.6 | 63.9 Ų | 63.9 | 4% | 0.038 | 34% | 0.342 | C | S | . | . | trans | -68.6 | 114.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | D1137 L1141 Q1157 G1158 I1160 L1162 | A1133-D1137 HydrophobicContact CB-CB 4.44Å; A1133-L1141 HydrophobicContact CB-CD1 4.09Å; A1133-L1141 HydrophobicContact CB-CD2 3.75Å; A1133-L1141 HydrophobicContact CB-CG 4.09Å; A1133-Q1157 WeakPolarHBondContact O-CG 3.37Å; A1133-G1158 PolarHBondContact O-N 2.96Å; A1133-I1160 HydrophobicContact CB-CB 4.34Å; A1133-I1160 HydrophobicContact CB-CG2 4.35Å; A1133-I1160 PolarHBondContact N-O 3.17Å; A1133-L1162 HydrophobicContact CB-CD1 3.73Å; A1133-L1162 HydrophobicContact CB-CG 3.98Å | ||
| 1134 | G | 76.4 | Confident | 76.4 | Confident | 22 Ų | 22 | 65.4 Ų | 65.4 | 23% | 0.227 | 34% | 0.343 | C | S | . | . | trans | -95.8 | 178.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1132 K1136 D1137 R1138 | L1132-G1134 PolarHBondContact O-N 3.08Å; G1134-K1136 VanDerWaalsContact C-N 3.26Å; G1134-K1136 PolarHBondContact O-N 3.08Å; G1134-K1136 VanDerWaalsContact O-N 3.1Å; G1134-D1137 WeakPolarHBondContact CA-OD2 3.28Å; G1134-D1137 PolarHBondContact N-OD2 3.12Å; G1134-D1137 WeakPolarHBondContact O-CB 3.31Å; G1134-D1137 PolarHBondContact O-N 3.11Å; G1134-R1138 PolarHBondContact O-N 2.92Å | ||
| 1135 | P | 72.4 | Confident | 75.2 | Confident | 105.8 Ų | 105.8 | 66.6 Ų | 66.6 | 69% | 0.687 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -58.8 | -28.2 | -177.1 | -16.3 | 22.3 | 0 | 0 | 0 | 114.5 | D1137 | P1135-D1137 VanDerWaalsContact C-N 3.3Å; P1135-D1137 PolarHBondContact O-N 3.08Å |
| 1136 | K | 74.2 | Confident | 73.8 | Confident | 199.2 Ų | 199.2 | 72.3 Ų | 72.3 | 87% | 0.866 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -74.7 | -20.6 | 177.6 | -63.5 | -174.5 | 178.7 | -177.2 | 0 | 113.2 | G1134 R1138 | G1134-K1136 VanDerWaalsContact C-N 3.26Å; G1134-K1136 PolarHBondContact O-N 3.08Å; G1134-K1136 VanDerWaalsContact O-N 3.1Å; K1136-R1138 VanDerWaalsContact C-N 3.29Å; K1136-R1138 PolarHBondContact O-N 3.27Å |
| 1137 | D | 74.1 | Confident | 72.4 | Confident | 18 Ų | 18 | 81.8 Ų | 81.8 | 10% | 0.096 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -84.1 | 0.8 | -175.2 | -59.7 | -64.2 | 0 | 0 | 0 | 113.4 | R1131 A1133 G1134 P1135 A1139 R1140 L1141 L1162 | R1131-D1137 IonicContact CZ-OD1 3.41Å; R1131-D1137 IonicContact CZ-OD2 3.48Å; R1131-D1137 VanDerWaalsContact NH1-CG 3.35Å; R1131-D1137 IonicContact NH1-OD1 3.08Å; R1131-D1137 PolarHBondContact NH1-OD1 2.86Å; R1131-D1137 IonicContact NH1-OD2 3.21Å; R1131-D1137 PolarHBondContact NH1-OD2 3.04Å; R1131-D1137 IonicContact NH2-OD1 2.95Å; R1131-D1137 PolarHBondContact NH2-OD1 3.22Å; R1131-D1137 IonicContact NH2-OD2 3.47Å; A1133-D1137 HydrophobicContact CB-CB 4.44Å; G1134-D1137 WeakPolarHBondContact CA-OD2 3.28Å; G1134-D1137 PolarHBondContact N-OD2 3.12Å; G1134-D1137 WeakPolarHBondContact O-CB 3.31Å; G1134-D1137 PolarHBondContact O-N 3.11Å; P1135-D1137 VanDerWaalsContact C-N 3.3Å; P1135-D1137 PolarHBondContact O-N 3.08Å; D1137-A1139 VanDerWaalsContact C-N 3.26Å; D1137-A1139 PolarHBondContact O-N 3.02Å; D1137-R1140 CarbonylContact O-C 3.58Å; D1137-R1140 WeakPolarHBondContact O-CA 3.39Å; D1137-R1140 WeakPolarHBondContact O-CB 3.48Å; D1137-R1140 PolarHBondContact O-N 2.97Å; D1137-L1141 WeakPolarHBondContact O-CG 3.3Å; D1137-L1141 PolarHBondContact O-N 3.07Å; D1137-L1162 HydrophobicContact CB-CD1 3.48Å; D1137-L1162 VanDerWaalsContact CB-CD1 3.47Å; D1137-L1162 VanDerWaalsContact CG-CD1 3.5Å |
| 1138 | R | 68.9 | Low | 70.9 | Confident | 169.8 Ų | 169.8 | 83 Ų | 83 | 64% | 0.641 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -51 | -36.3 | -179.2 | -169 | 175.3 | -162.8 | 153.2 | 4.4 | 113.1 | G1134 K1136 R1140 L1141 A1142 L1153 | G1134-R1138 PolarHBondContact O-N 2.92Å; K1136-R1138 VanDerWaalsContact C-N 3.29Å; K1136-R1138 PolarHBondContact O-N 3.27Å; R1138-R1140 VanDerWaalsContact C-N 3.34Å; R1138-R1140 PolarHBondContact O-N 3.25Å; R1138-L1141 PolarHBondContact O-N 2.92Å; R1138-A1142 VanDerWaalsContact O-CB 3.28Å; R1138-A1142 WeakPolarHBondContact O-CB 3.42Å; R1138-A1142 PolarHBondContact O-N 3.13Å; R1138-L1153 HydrophobicContact CG-CD2 4.09Å |
| 1139 | A | 70.1 | Confident | 69.7 | Low | 79.8 Ų | 79.8 | 81.7 Ų | 81.7 | 66% | 0.66 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -69 | -42.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D1137 L1141 A1142 S1143 | D1137-A1139 VanDerWaalsContact C-N 3.26Å; D1137-A1139 PolarHBondContact O-N 3.02Å; A1139-L1141 VanDerWaalsContact C-N 3.33Å; A1139-L1141 PolarHBondContact O-N 3.37Å; A1139-A1142 PolarHBondContact O-N 2.99Å; A1139-S1143 PolarHBondContact O-N 3.33Å; A1139-S1143 PolarHBondContact O-OG 2.04Å |
| 1140 | R | 71 | Confident | 68.6 | Low | 114.6 Ų | 114.6 | 89.2 Ų | 89.2 | 43% | 0.432 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.6 | -38 | 174.7 | -80.1 | -174 | 155.6 | -165.8 | -1.4 | 111.7 | D1137 R1138 A1142 S1143 I1144 L1162 D1163 | D1137-R1140 CarbonylContact O-C 3.58Å; D1137-R1140 WeakPolarHBondContact O-CA 3.39Å; D1137-R1140 WeakPolarHBondContact O-CB 3.48Å; D1137-R1140 PolarHBondContact O-N 2.97Å; R1138-R1140 VanDerWaalsContact C-N 3.34Å; R1138-R1140 PolarHBondContact O-N 3.25Å; R1140-A1142 VanDerWaalsContact C-N 3.29Å; R1140-A1142 PolarHBondContact O-N 2.77Å; R1140-S1143 WeakPolarHBondContact CA-OG 3.07Å; R1140-S1143 WeakPolarHBondContact O-CB 3.38Å; R1140-S1143 PolarHBondContact O-N 3.21Å; R1140-S1143 PolarHBondContact O-OG 2.98Å; R1140-I1144 WeakPolarHBondContact O-CD1 3.32Å; R1140-I1144 WeakPolarHBondContact O-CG1 3.18Å; R1140-I1144 PolarHBondContact O-N 3.33Å; R1140-L1162 HydrophobicContact CB-CD1 4.14Å; R1140-L1162 HydrophobicContact CB-CD2 4.45Å; R1140-D1163 PolarHBondContact NH1-O 3.02Å; R1140-D1163 PolarHBondContact NH2-O 2.97Å |
| 1141 | L | 67.7 | Low | 67.2 | Low | 12.6 Ų | 12.6 | 90.5 Ų | 90.5 | 7% | 0.066 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -64.6 | -42 | 174.6 | -73.4 | 170.7 | 0 | 0 | 0 | 112.1 | A1133 D1137 R1138 A1139 S1143 I1144 I1148 L1153 V1156 I1160 L1162 | A1133-L1141 HydrophobicContact CB-CD1 4.09Å; A1133-L1141 HydrophobicContact CB-CD2 3.75Å; A1133-L1141 HydrophobicContact CB-CG 4.09Å; D1137-L1141 WeakPolarHBondContact O-CG 3.3Å; D1137-L1141 PolarHBondContact O-N 3.07Å; R1138-L1141 PolarHBondContact O-N 2.92Å; A1139-L1141 VanDerWaalsContact C-N 3.33Å; A1139-L1141 PolarHBondContact O-N 3.37Å; L1141-S1143 VanDerWaalsContact C-N 3.27Å; L1141-S1143 PolarHBondContact O-N 3.12Å; L1141-I1144 HydrophobicContact CD2-CD1 4.41Å; L1141-I1144 WeakPolarHBondContact O-CB 3.27Å; L1141-I1144 PolarHBondContact O-N 3.11Å; L1141-I1144 VanDerWaalsContact O-N 3.09Å; L1141-I1148 HydrophobicContact CD2-CD1 4.47Å; L1141-L1153 HydrophobicContact CB-CD1 4.15Å; L1141-V1156 HydrophobicContact CD2-CG1 4.13Å; L1141-I1160 HydrophobicContact CD1-CD1 4.41Å; L1141-I1160 HydrophobicContact CD2-CB 4.32Å; L1141-I1160 HydrophobicContact CD2-CD1 4.23Å; L1141-I1160 HydrophobicContact CD2-CG2 4.23Å; L1141-L1162 HydrophobicContact CD1-CD2 4.47Å |
| 1142 | A | 65.4 | Low | 65.9 | Low | 59.8 Ų | 59.8 | 88.9 Ų | 88.9 | 49% | 0.494 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.6 | -32.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R1138 A1139 R1140 I1144 G1145 L1153 | R1138-A1142 VanDerWaalsContact O-CB 3.28Å; R1138-A1142 WeakPolarHBondContact O-CB 3.42Å; R1138-A1142 PolarHBondContact O-N 3.13Å; A1139-A1142 PolarHBondContact O-N 2.99Å; R1140-A1142 VanDerWaalsContact C-N 3.29Å; R1140-A1142 PolarHBondContact O-N 2.77Å; A1142-I1144 PolarHBondContact O-N 3.22Å; A1142-G1145 PolarHBondContact O-N 3.21Å; A1142-L1153 HydrophobicContact CB-CD2 3.86Å |
| 1143 | S | 63.7 | Low | 64.7 | Low | 99.2 Ų | 99.2 | 88.1 Ų | 88.1 | 69% | 0.694 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -9.9 | 175.4 | 60.2 | 0 | 0 | 0 | 0 | 114.9 | A1139 R1140 L1141 G1145 | A1139-S1143 PolarHBondContact O-N 3.33Å; A1139-S1143 PolarHBondContact O-OG 2.04Å; R1140-S1143 WeakPolarHBondContact CA-OG 3.07Å; R1140-S1143 WeakPolarHBondContact O-CB 3.38Å; R1140-S1143 PolarHBondContact O-N 3.21Å; R1140-S1143 PolarHBondContact O-OG 2.98Å; L1141-S1143 VanDerWaalsContact C-N 3.27Å; L1141-S1143 PolarHBondContact O-N 3.12Å; S1143-G1145 VanDerWaalsContact C-N 3.33Å |
| 1144 | I | 63 | Low | 63.7 | Low | 82.6 Ų | 82.6 | 96.1 Ų | 96.1 | 42% | 0.424 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -4.8 | 177 | -51.8 | 169.8 | 0 | 0 | 0 | 110.8 | R1140 L1141 A1142 D1146 R1147 I1148 I1160 L1162 | R1140-I1144 WeakPolarHBondContact O-CD1 3.32Å; R1140-I1144 WeakPolarHBondContact O-CG1 3.18Å; R1140-I1144 PolarHBondContact O-N 3.33Å; L1141-I1144 HydrophobicContact CD2-CD1 4.41Å; L1141-I1144 WeakPolarHBondContact O-CB 3.27Å; L1141-I1144 PolarHBondContact O-N 3.11Å; L1141-I1144 VanDerWaalsContact O-N 3.09Å; A1142-I1144 PolarHBondContact O-N 3.22Å; I1144-D1146 VanDerWaalsContact C-N 3.25Å; I1144-D1146 PolarHBondContact O-N 3.24Å; I1144-R1147 HydrophobicContact CG2-CB 4.34Å; I1144-R1147 PolarHBondContact O-N 2.92Å; I1144-I1148 HydrophobicContact CB-CD1 3.89Å; I1144-I1148 HydrophobicContact CB-CG1 4.48Å; I1144-I1148 HydrophobicContact CD1-CD1 4.25Å; I1144-I1148 HydrophobicContact CG2-CD1 3.64Å; I1144-I1148 VanDerWaalsContact CG2-CD1 3.5Å; I1144-I1148 HydrophobicContact CG2-CG1 4.04Å; I1144-I1148 PolarHBondContact O-N 2.9Å; I1144-I1160 HydrophobicContact CD1-CG2 4.36Å; I1144-L1162 HydrophobicContact CD1-CD2 3.99Å |
| 1145 | G | 58 | Low | 62.9 | Low | 40.6 Ų | 40.6 | 99.7 Ų | 99.7 | 42% | 0.419 | 54% | 0.542 | S | S | . | . | trans | 87.4 | 138.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115 | A1142 S1143 R1147 | A1142-G1145 PolarHBondContact O-N 3.21Å; S1143-G1145 VanDerWaalsContact C-N 3.33Å; G1145-R1147 PolarHBondContact O-N 3.13Å | ||
| 1146 | D | 56.7 | Low | 62.4 | Low | 139.2 Ų | 139.2 | 95 Ų | 95 | 74% | 0.744 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -92.3 | -9.3 | 177.7 | -161.5 | 46.8 | 0 | 0 | 0 | 114.2 | I1144 | I1144-D1146 VanDerWaalsContact C-N 3.25Å; I1144-D1146 PolarHBondContact O-N 3.24Å |
| 1147 | R | 55.1 | Low | 61.8 | Low | 215.6 Ų | 215.6 | 90.9 Ų | 90.9 | 81% | 0.814 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 95.9 | 178.6 | -66.4 | -174.1 | 179.2 | -175.2 | -0.6 | 112.4 | I1144 G1145 G1149 | I1144-R1147 HydrophobicContact CG2-CB 4.34Å; I1144-R1147 PolarHBondContact O-N 2.92Å; G1145-R1147 PolarHBondContact O-N 3.13Å; R1147-G1149 PolarHBondContact O-N 3.03Å; R1147-G1149 VanDerWaalsContact O-N 3.13Å |
| 1148 | I | 55 | Low | 61.6 | Low | 58.6 Ų | 58.6 | 91.5 Ų | 91.5 | 30% | 0.301 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -112.8 | 88.4 | 178 | -56 | 173.8 | 0 | 0 | 0 | 108.4 | L1141 I1144 N1150 M1151 V1156 I1160 | L1141-I1148 HydrophobicContact CD2-CD1 4.47Å; I1144-I1148 HydrophobicContact CB-CD1 3.89Å; I1144-I1148 HydrophobicContact CB-CG1 4.48Å; I1144-I1148 HydrophobicContact CD1-CD1 4.25Å; I1144-I1148 HydrophobicContact CG2-CD1 3.64Å; I1144-I1148 VanDerWaalsContact CG2-CD1 3.5Å; I1144-I1148 HydrophobicContact CG2-CG1 4.04Å; I1144-I1148 PolarHBondContact O-N 2.9Å; I1148-N1150 PolarHBondContact O-N 3.19Å; I1148-M1151 HydrophobicContact CG2-CB 4.22Å; I1148-M1151 PolarHBondContact N-O 3.14Å; I1148-M1151 PolarHBondContact O-N 3.07Å; I1148-V1156 HydrophobicContact CB-CG2 4.49Å; I1148-V1156 HydrophobicContact CD1-CG1 4.25Å; I1148-V1156 HydrophobicContact CG2-CG2 3.94Å; I1148-I1160 HydrophobicContact CB-CD1 4.35Å; I1148-I1160 HydrophobicContact CD1-CD1 3.36Å; I1148-I1160 HydrophobicContact CG1-CD1 4.26Å; I1148-I1160 HydrophobicContact CG2-CD1 3.98Å |
| 1149 | G | 55.1 | Low | 61.9 | Low | 60.4 Ų | 60.4 | 87.7 Ų | 87.7 | 62% | 0.623 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.5 | -154.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R1147 M1151 | R1147-G1149 PolarHBondContact O-N 3.03Å; R1147-G1149 VanDerWaalsContact O-N 3.13Å; G1149-M1151 VanDerWaalsContact C-N 3.32Å; G1149-M1151 PolarHBondContact O-N 2.9Å |
| 1150 | N | 57.3 | Low | 62.3 | Low | 170.2 Ų | 170.2 | 84.9 Ų | 84.9 | 91% | 0.91 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | 12.2 | -177.3 | -61.9 | 6 | 0 | 0 | 0 | 114.5 | I1148 | I1148-N1150 PolarHBondContact O-N 3.19Š|
| 1151 | M | 57.9 | Low | 63 | Low | 82.2 Ų | 82.2 | 79.9 Ų | 79.9 | 41% | 0.405 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 124.9 | -175.8 | -64.9 | -169.9 | -166.5 | 0 | 0 | 111.9 | A1111 I1148 G1149 L1153 V1156 R1159 | A1111-M1151 HydrophobicContact CB-CE 3.59Å; A1111-M1151 VanDerWaalsContact CB-CE 3.43Å; A1111-M1151 HydrophobicContact CB-SD 4.16Å; I1148-M1151 HydrophobicContact CG2-CB 4.22Å; I1148-M1151 PolarHBondContact N-O 3.14Å; I1148-M1151 PolarHBondContact O-N 3.07Å; G1149-M1151 VanDerWaalsContact C-N 3.32Å; G1149-M1151 PolarHBondContact O-N 2.9Å; M1151-L1153 PolarHBondContact O-N 2.77Å; M1151-V1156 HydrophobicContact CB-CG2 4.22Å; M1151-R1159 PolarHBondContact SD-NH1 3.34Å; M1151-R1159 VanDerWaalsContact SD-NH1 3.42Å |
| 1152 | A | 58.2 | Low | 63.8 | Low | 58.2 Ų | 58.2 | 80.1 Ų | 80.1 | 48% | 0.481 | 45% | 0.449 | S | S | . | . | trans | -65.6 | 140.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | E1154 N1155 | A1152-E1154 PolarHBondContact O-N 2.94Å; A1152-N1155 WeakPolarHBondContact O-CB 3.49Å; A1152-N1155 PolarHBondContact O-N 2.96Å; A1152-N1155 VanDerWaalsContact O-N 3.1Å | ||
| 1153 | L | 57.3 | Low | 64.8 | Low | 57.4 Ų | 57.4 | 79.1 Ų | 79.1 | 30% | 0.301 | 44% | 0.435 | S | S | . | . | G | 310 helix | trans | -54.8 | -27.8 | -168.2 | -166.2 | 64.6 | 0 | 0 | 0 | 114.8 | R1138 L1141 A1142 M1151 N1155 V1156 | R1138-L1153 HydrophobicContact CG-CD2 4.09Å; L1141-L1153 HydrophobicContact CB-CD1 4.15Å; A1142-L1153 HydrophobicContact CB-CD2 3.86Å; M1151-L1153 PolarHBondContact O-N 2.77Å; L1153-N1155 VanDerWaalsContact C-N 3.29Å; L1153-N1155 PolarHBondContact O-N 3.01Å; L1153-V1156 HydrophobicContact CD1-CG2 4.34Å; L1153-V1156 WeakPolarHBondContact O-CB 3.34Å; L1153-V1156 WeakPolarHBondContact O-CG2 3.23Å; L1153-V1156 PolarHBondContact O-N 3.14Å |
| 1154 | E | 59.5 | Low | 65.8 | Low | 172.6 Ų | 172.6 | 76.4 Ų | 76.4 | 81% | 0.807 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -65.5 | -31.2 | 177 | -61 | 177 | 166.1 | 0 | 0 | 113 | A1152 V1156 | A1152-E1154 PolarHBondContact O-N 2.94Å; E1154-V1156 VanDerWaalsContact C-N 3.3Å; E1154-V1156 PolarHBondContact O-N 3.12Å |
| 1155 | N | 59.9 | Low | 66.9 | Low | 96.8 Ų | 96.8 | 74.9 Ų | 74.9 | 52% | 0.518 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -86.7 | 3.8 | 179.2 | -72.8 | -69 | 0 | 0 | 0 | 113.6 | A1152 L1153 Q1157 R1159 | A1152-N1155 WeakPolarHBondContact O-CB 3.49Å; A1152-N1155 PolarHBondContact O-N 2.96Å; A1152-N1155 VanDerWaalsContact O-N 3.1Å; L1153-N1155 VanDerWaalsContact C-N 3.29Å; L1153-N1155 PolarHBondContact O-N 3.01Å; N1155-Q1157 VanDerWaalsContact C-N 3.33Å; N1155-Q1157 PolarHBondContact O-N 3.06Å; N1155-R1159 WeakPolarHBondContact O-CD 3.44Å; N1155-R1159 VanDerWaalsContact O-CZ 3.22Å; N1155-R1159 PolarHBondContact O-NE 3.34Å; N1155-R1159 PolarHBondContact O-NH1 3.1Å |
| 1156 | V | 61.9 | Low | 68.2 | Low | 7.2 Ų | 7.2 | 74.3 Ų | 74.3 | 4% | 0.044 | 39% | 0.391 | C | S | . | . | trans | -95.4 | -9.5 | -173.6 | 179.7 | 0 | 0 | 0 | 0 | 112.2 | L1141 I1148 M1151 L1153 E1154 G1158 R1159 I1160 | L1141-V1156 HydrophobicContact CD2-CG1 4.13Å; I1148-V1156 HydrophobicContact CB-CG2 4.49Å; I1148-V1156 HydrophobicContact CD1-CG1 4.25Å; I1148-V1156 HydrophobicContact CG2-CG2 3.94Å; M1151-V1156 HydrophobicContact CB-CG2 4.22Å; L1153-V1156 HydrophobicContact CD1-CG2 4.34Å; L1153-V1156 WeakPolarHBondContact O-CB 3.34Å; L1153-V1156 WeakPolarHBondContact O-CG2 3.23Å; L1153-V1156 PolarHBondContact O-N 3.14Å; E1154-V1156 VanDerWaalsContact C-N 3.3Å; E1154-V1156 PolarHBondContact O-N 3.12Å; V1156-G1158 PolarHBondContact O-N 3.02Å; V1156-R1159 HydrophobicContact CG1-CB 4.43Å; V1156-R1159 WeakPolarHBondContact O-CB 3.42Å; V1156-R1159 PolarHBondContact O-N 3.01Å; V1156-R1159 VanDerWaalsContact O-N 3.1Å; V1156-I1160 HydrophobicContact CG1-CB 4.38Å; V1156-I1160 HydrophobicContact CG1-CD1 3.31Å; V1156-I1160 HydrophobicContact CG1-CG1 3.66Å; V1156-I1160 PolarHBondContact O-N 2.8Å | ||
| 1157 | Q | 62.4 | Low | 69.7 | Low | 113.8 Ų | 113.8 | 68.5 Ų | 68.5 | 53% | 0.532 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 126.1 | -178.8 | -125.2 | 176.9 | -22.7 | 0 | 0 | 111.1 | A1133 N1155 R1159 | A1133-Q1157 WeakPolarHBondContact O-CG 3.37Å; N1155-Q1157 VanDerWaalsContact C-N 3.33Å; N1155-Q1157 PolarHBondContact O-N 3.06Å; Q1157-R1159 VanDerWaalsContact C-N 3.29Å; Q1157-R1159 PolarHBondContact O-N 2.95Å |
| 1158 | G | 68.8 | Low | 71.2 | Confident | 30.4 Ų | 30.4 | 64.6 Ų | 64.6 | 31% | 0.313 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72 | 11.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | C1124 A1133 V1156 | C1124-G1158 WeakPolarHBondContact CB-O 3.24Å; A1133-G1158 PolarHBondContact O-N 2.96Å; V1156-G1158 PolarHBondContact O-N 3.02Å |
| 1159 | R | 75.2 | Confident | 72.5 | Confident | 90.4 Ų | 90.4 | 65.8 Ų | 65.8 | 34% | 0.341 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -26.5 | 177.1 | -63.8 | -176.4 | 178.4 | 156 | 1.2 | 114.9 | Y1110 A1111 D1113 M1151 N1155 V1156 Q1157 | Y1110-R1159 PolarHBondContact O-NE 3.26Å; A1111-R1159 WeakPolarHBondContact O-CD 3.05Å; A1111-R1159 WeakPolarHBondContact O-CG 3.45Å; D1113-R1159 VanDerWaalsContact CB-O 3.29Å; D1113-R1159 WeakPolarHBondContact CB-O 3.38Å; D1113-R1159 PolarHBondContact N-O 3.27Å; D1113-R1159 VanDerWaalsContact N-O 3.1Å; M1151-R1159 PolarHBondContact SD-NH1 3.34Å; M1151-R1159 VanDerWaalsContact SD-NH1 3.42Å; N1155-R1159 WeakPolarHBondContact O-CD 3.44Å; N1155-R1159 VanDerWaalsContact O-CZ 3.22Å; N1155-R1159 PolarHBondContact O-NE 3.34Å; N1155-R1159 PolarHBondContact O-NH1 3.1Å; V1156-R1159 HydrophobicContact CG1-CB 4.43Å; V1156-R1159 WeakPolarHBondContact O-CB 3.42Å; V1156-R1159 PolarHBondContact O-N 3.01Å; V1156-R1159 VanDerWaalsContact O-N 3.1Å; Q1157-R1159 VanDerWaalsContact C-N 3.29Å; Q1157-R1159 PolarHBondContact O-N 2.95Å |
| 1160 | I | 79.8 | Confident | 73.9 | Confident | 20.2 Ų | 20.2 | 67 Ų | 67 | 10% | 0.104 | 36% | 0.357 | C | S | . | . | trans | -93.7 | 144.1 | 180 | -71.7 | -176.4 | 0 | 0 | 0 | 112 | D1113 L1132 A1133 L1141 I1144 I1148 V1156 L1162 | D1113-I1160 HydrophobicContact CB-CG1 4.3Å; L1132-I1160 CarbonylContact C-O 3.55Å; L1132-I1160 WeakPolarHBondContact CA-O 3.36Å; A1133-I1160 HydrophobicContact CB-CB 4.34Å; A1133-I1160 HydrophobicContact CB-CG2 4.35Å; A1133-I1160 PolarHBondContact N-O 3.17Å; L1141-I1160 HydrophobicContact CD1-CD1 4.41Å; L1141-I1160 HydrophobicContact CD2-CB 4.32Å; L1141-I1160 HydrophobicContact CD2-CD1 4.23Å; L1141-I1160 HydrophobicContact CD2-CG2 4.23Å; I1144-I1160 HydrophobicContact CD1-CG2 4.36Å; I1148-I1160 HydrophobicContact CB-CD1 4.35Å; I1148-I1160 HydrophobicContact CD1-CD1 3.36Å; I1148-I1160 HydrophobicContact CG1-CD1 4.26Å; I1148-I1160 HydrophobicContact CG2-CD1 3.98Å; V1156-I1160 HydrophobicContact CG1-CB 4.38Å; V1156-I1160 HydrophobicContact CG1-CD1 3.31Å; V1156-I1160 HydrophobicContact CG1-CG1 3.66Å; V1156-I1160 PolarHBondContact O-N 2.8Å; I1160-L1162 HydrophobicContact CG2-CD2 4.06Å; I1160-L1162 HydrophobicContact CG2-CG 4.35Å | ||
| 1161 | C | 85.3 | Confident | 75.1 | Confident | 9.6 Ų | 9.6 | 62.5 Ų | 62.5 | 7% | 0.065 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 112.2 | 175.9 | -69.4 | 0 | 0 | 0 | 0 | 111 | D1113 H1114 C1126 Y1130 R1131 | D1113-C1161 WeakPolarHBondContact OD2-CB 3.4Å; D1113-C1161 PolarHBondContact OD2-N 3.05Å; H1114-C1161 HydrophobicContact CB-CB 4.45Å; H1114-C1161 WeakPolarHBondContact ND1-CB 3.38Å; H1114-C1161 PolarHBondContact ND1-SG 3.07Å; C1126-C1161 WeakPolarHBondContact CA-SG 3.34Å; C1126-C1161 HydrophobicContact CB-CB 3.83Å; C1126-C1161 WeakPolarHBondContact CB-SG 3.38Å; C1126-C1161 VanDerWaalsContact SG-CA 3.5Å; C1126-C1161 WeakPolarHBondContact SG-CA 3.35Å; C1126-C1161 WeakPolarHBondContact SG-CB 3.29Å; C1126-C1161 CovalentContact SG-SG 2.04Å; C1126-C1161 PolarHBondContact SG-SG 2.91Å; Y1130-C1161 HydrophobicContact CD1-CB 4.4Å; Y1130-C1161 WeakPolarHBondContact CD1-O 3.42Å; Y1130-C1161 HydrophobicContact CG-CB 4.49Å; R1131-C1161 CarbonylContact O-C 3.56Å; R1131-C1161 WeakPolarHBondContact O-CA 3.36Å |
| 1162 | L | 84.8 | Confident | 76.3 | Confident | 17.8 Ų | 17.8 | 59.8 Ų | 59.8 | 9% | 0.093 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 137.8 | 176.5 | -62.8 | 175.9 | 0 | 0 | 0 | 110.6 | Y1130 R1131 A1133 D1137 R1140 L1141 I1144 I1160 I1164 | Y1130-L1162 CarbonylContact C-O 3.53Å; Y1130-L1162 VanDerWaalsContact CA-O 3.28Å; Y1130-L1162 WeakPolarHBondContact CA-O 3.37Å; R1131-L1162 HydrophobicContact CG-CB 4.47Å; R1131-L1162 PolarHBondContact N-O 2.97Å; R1131-L1162 PolarHBondContact O-N 3.17Å; A1133-L1162 HydrophobicContact CB-CD1 3.73Å; A1133-L1162 HydrophobicContact CB-CG 3.98Å; D1137-L1162 HydrophobicContact CB-CD1 3.48Å; D1137-L1162 VanDerWaalsContact CB-CD1 3.47Å; D1137-L1162 VanDerWaalsContact CG-CD1 3.5Å; R1140-L1162 HydrophobicContact CB-CD1 4.14Å; R1140-L1162 HydrophobicContact CB-CD2 4.45Å; L1141-L1162 HydrophobicContact CD1-CD2 4.47Å; I1144-L1162 HydrophobicContact CD1-CD2 3.99Å; I1160-L1162 HydrophobicContact CG2-CD2 4.06Å; I1160-L1162 HydrophobicContact CG2-CG 4.35Å; L1162-I1164 PolarHBondContact O-N 3.02Å |
| 1163 | D | 85.4 | Confident | 77.4 | Confident | 38.4 Ų | 38.4 | 65.2 Ų | 65.2 | 21% | 0.205 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 133.4 | 173.2 | -168.9 | 55.7 | 0 | 0 | 0 | 111 | Y1130 R1140 D1165 N1185 P1187 G1188 | Y1130-D1163 HydrophobicContact CD1-CB 4.25Å; Y1130-D1163 HydrophobicContact CE1-CB 4.11Å; R1140-D1163 PolarHBondContact NH1-O 3.02Å; R1140-D1163 PolarHBondContact NH2-O 2.97Å; D1163-D1165 PolarHBondContact O-N 3.14Å; D1163-N1185 PolarHBondContact OD2-ND2 3.12Å; D1163-P1187 WeakPolarHBondContact OD1-CA 3.35Å; D1163-G1188 PolarHBondContact OD1-N 3.26Å |
| 1164 | I | 85.4 | Confident | 78.6 | Confident | 41.6 Ų | 41.6 | 70.8 Ų | 70.8 | 21% | 0.213 | 35% | 0.351 | C | S | . | . | trans | -85.5 | 114.1 | 176.3 | -60.9 | 171.6 | 0 | 0 | 0 | 107.3 | G1129 R1131 L1162 E1166 N1185 | G1129-I1164 VanDerWaalsContact O-CB 3.32Å; G1129-I1164 WeakPolarHBondContact O-CB 3.39Å; G1129-I1164 VanDerWaalsContact O-CG1 3.3Å; G1129-I1164 WeakPolarHBondContact O-CG1 3.4Å; G1129-I1164 PolarHBondContact O-N 2.93Å; G1129-I1164 VanDerWaalsContact O-N 3.08Å; R1131-I1164 HydrophobicContact CB-CD1 4.15Å; R1131-I1164 HydrophobicContact CB-CG1 4.02Å; R1131-I1164 HydrophobicContact CG-CD1 4.42Å; R1131-I1164 HydrophobicContact CG-CG1 3.85Å; L1162-I1164 PolarHBondContact O-N 3.02Å; I1164-E1166 HydrophobicContact CB-CG 4.39Å; I1164-E1166 WeakPolarHBondContact CB-OE1 3.47Å; I1164-E1166 HydrophobicContact CG2-CG 4.2Å; I1164-E1166 VanDerWaalsContact CG2-OE1 3.27Å; I1164-E1166 WeakPolarHBondContact CG2-OE1 3.38Å; I1164-E1166 VanDerWaalsContact O-CG 3.29Å; I1164-E1166 WeakPolarHBondContact O-CG 3.04Å; I1164-E1166 PolarHBondContact O-N 3.09Å; I1164-E1166 VanDerWaalsContact O-N 3.15Å; I1164-N1185 PolarHBondContact O-ND2 2.91Å; I1164-N1185 PolarHBondContact O-OD1 3.13Å | ||
| 1165 | D | 85.7 | Confident | 79.7 | Confident | 52.2 Ų | 52.2 | 66.3 Ų | 66.3 | 28% | 0.279 | 33% | 0.33 | S | S | . | . | trans | -70.2 | 110.6 | 168.1 | -161.5 | -53.3 | 0 | 0 | 0 | 108.9 | D1163 C1167 D1168 N1185 | D1163-D1165 PolarHBondContact O-N 3.14Å; D1165-C1167 VanDerWaalsContact OD1-CA 3.29Å; D1165-C1167 WeakPolarHBondContact OD1-CA 3.38Å; D1165-C1167 VanDerWaalsContact OD1-CB 3.29Å; D1165-C1167 WeakPolarHBondContact OD1-CB 3.38Å; D1165-C1167 PolarHBondContact OD1-N 3.22Å; D1165-D1168 HydrophobicContact CB-CB 4.31Å; D1165-D1168 PolarHBondContact OD1-N 2.92Å; D1165-N1185 WeakPolarHBondContact CA-OD1 3.2Å; D1165-N1185 WeakPolarHBondContact OD2-CB 3.07Å | ||
| 1166 | E | 85.9 | Confident | 80.7 | Confident | 27.8 Ų | 27.8 | 61.7 Ų | 61.7 | 13% | 0.13 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -86.3 | -21.9 | 177.6 | -77.9 | 135.2 | 177.8 | 0 | 0 | 112.3 | I1164 D1168 K1169 L1172 N1185 Y1190 | I1164-E1166 HydrophobicContact CB-CG 4.39Å; I1164-E1166 WeakPolarHBondContact CB-OE1 3.47Å; I1164-E1166 HydrophobicContact CG2-CG 4.2Å; I1164-E1166 VanDerWaalsContact CG2-OE1 3.27Å; I1164-E1166 WeakPolarHBondContact CG2-OE1 3.38Å; I1164-E1166 VanDerWaalsContact O-CG 3.29Å; I1164-E1166 WeakPolarHBondContact O-CG 3.04Å; I1164-E1166 PolarHBondContact O-N 3.09Å; I1164-E1166 VanDerWaalsContact O-N 3.15Å; E1166-D1168 VanDerWaalsContact C-N 3.33Å; E1166-D1168 PolarHBondContact O-N 2.8Å; E1166-K1169 HydrophobicContact CB-CD 4.45Å; E1166-K1169 HydrophobicContact CG-CD 4.4Å; E1166-K1169 VanDerWaalsContact CG-NZ 3.34Å; E1166-K1169 VanDerWaalsContact O-CB 3.26Å; E1166-K1169 WeakPolarHBondContact O-CB 3.31Å; E1166-K1169 WeakPolarHBondContact O-CG 3.47Å; E1166-K1169 PolarHBondContact O-N 2.99Å; E1166-K1169 VanDerWaalsContact O-N 3.13Å; E1166-K1169 IonicContact OE1-NZ 2.95Å; E1166-K1169 PolarHBondContact OE1-NZ 2.79Å; E1166-L1172 HydrophobicContact CB-CD2 3.79Å; E1166-L1172 VanDerWaalsContact O-CD2 3.29Å; E1166-L1172 WeakPolarHBondContact O-CD2 3.26Å; E1166-N1185 PolarHBondContact N-OD1 3.08Å; E1166-Y1190 HydrophobicContact CB-CD1 3.8Å; E1166-Y1190 HydrophobicContact CB-CE1 4.35Å; E1166-Y1190 HydrophobicContact CB-CG 4.28Å; E1166-Y1190 HydrophobicContact CG-CD1 4.12Å; E1166-Y1190 HydrophobicContact CG-CE1 4.26Å; E1166-Y1190 WeakPolarHBondContact OE2-CD1 3.25Å |
| 1167 | C | 87.7 | Confident | 81.6 | Confident | 17.6 Ų | 17.6 | 64.1 Ų | 64.1 | 12% | 0.119 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -20.8 | 177 | -64.8 | 0 | 0 | 0 | 0 | 113.3 | D1165 K1169 C1183 T1184 N1185 | D1165-C1167 VanDerWaalsContact OD1-CA 3.29Å; D1165-C1167 WeakPolarHBondContact OD1-CA 3.38Å; D1165-C1167 VanDerWaalsContact OD1-CB 3.29Å; D1165-C1167 WeakPolarHBondContact OD1-CB 3.38Å; D1165-C1167 PolarHBondContact OD1-N 3.22Å; C1167-K1169 PolarHBondContact O-N 3.13Å; C1167-K1169 VanDerWaalsContact O-N 3.15Å; C1167-C1183 WeakPolarHBondContact CA-SG 3.39Å; C1167-C1183 HydrophobicContact CB-CB 3.77Å; C1167-C1183 WeakPolarHBondContact CB-SG 3.39Å; C1167-C1183 WeakPolarHBondContact SG-CB 3.27Å; C1167-C1183 CovalentContact SG-SG 2.04Å; C1167-C1183 PolarHBondContact SG-SG 3.1Å; C1167-T1184 VanDerWaalsContact SG-C 3.56Å; C1167-T1184 PolarHBondContact SG-N 3.3Å; C1167-T1184 VanDerWaalsContact SG-N 3.41Å; C1167-N1185 HydrophobicContact CB-CB 4.49Å; C1167-N1185 PolarHBondContact SG-N 2.77Å; C1167-N1185 VanDerWaalsContact SG-N 3.41Å |
| 1168 | D | 85.8 | Confident | 82.4 | Confident | 132.2 Ų | 132.2 | 66 Ų | 66 | 71% | 0.707 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -25.4 | 164.1 | -99.6 | -11.8 | 0 | 0 | 0 | 112.4 | D1165 E1166 P1170 | D1165-D1168 HydrophobicContact CB-CB 4.31Å; D1165-D1168 PolarHBondContact OD1-N 2.92Å; E1166-D1168 VanDerWaalsContact C-N 3.33Å; E1166-D1168 PolarHBondContact O-N 2.8Å; D1168-P1170 VanDerWaalsContact O-CD 3.29Å; D1168-P1170 WeakPolarHBondContact O-CD 3.27Å |
| 1169 | K | 83.5 | Confident | 82.4 | Confident | 84.4 Ų | 84.4 | 66.1 Ų | 66.1 | 37% | 0.367 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -75.4 | 115 | -179.5 | -60.1 | 165.9 | -172.1 | 163.5 | 0 | 109.8 | N976 E1166 C1167 S1171 L1172 R1173 | N976-K1169 PolarHBondContact OD1-NZ 2.87Å; E1166-K1169 HydrophobicContact CB-CD 4.45Å; E1166-K1169 HydrophobicContact CG-CD 4.4Å; E1166-K1169 VanDerWaalsContact CG-NZ 3.34Å; E1166-K1169 VanDerWaalsContact O-CB 3.26Å; E1166-K1169 WeakPolarHBondContact O-CB 3.31Å; E1166-K1169 WeakPolarHBondContact O-CG 3.47Å; E1166-K1169 PolarHBondContact O-N 2.99Å; E1166-K1169 VanDerWaalsContact O-N 3.13Å; E1166-K1169 IonicContact OE1-NZ 2.95Å; E1166-K1169 PolarHBondContact OE1-NZ 2.79Å; C1167-K1169 PolarHBondContact O-N 3.13Å; C1167-K1169 VanDerWaalsContact O-N 3.15Å; K1169-S1171 PolarHBondContact O-N 3.15Å; K1169-S1171 VanDerWaalsContact O-N 3.09Å; K1169-L1172 HydrophobicContact CB-CB 4.24Å; K1169-L1172 PolarHBondContact O-N 3.33Å; K1169-R1173 PolarHBondContact O-N 3.27Å; K1169-R1173 VanDerWaalsContact O-N 3.13Å |
| 1170 | P | 83.4 | Confident | 82.3 | Confident | 85.6 Ų | 85.6 | 63.2 Ų | 63.2 | 56% | 0.556 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -8.2 | -174.8 | 30 | -36.7 | 0 | 0 | 0 | 113.8 | D1168 R1174 | D1168-P1170 VanDerWaalsContact O-CD 3.29Å; D1168-P1170 WeakPolarHBondContact O-CD 3.27Å; P1170-R1174 WeakPolarHBondContact O-CG 3.42Å; P1170-R1174 PolarHBondContact O-NE 3.13Å; P1170-R1174 PolarHBondContact O-NH2 3.07Å |
| 1171 | S | 83.2 | Confident | 82.3 | Confident | 75.2 Ų | 75.2 | 62.7 Ų | 62.7 | 53% | 0.526 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -51.4 | 164.1 | 43.6 | 0 | 0 | 0 | 0 | 111.1 | K1169 R1173 R1174 E1175 | K1169-S1171 PolarHBondContact O-N 3.15Å; K1169-S1171 VanDerWaalsContact O-N 3.09Å; S1171-R1173 PolarHBondContact O-N 2.85Å; S1171-R1174 WeakPolarHBondContact O-CB 3.34Å; S1171-R1174 PolarHBondContact O-N 3.19Å; S1171-E1175 PolarHBondContact O-N 3.1Å; S1171-E1175 VanDerWaalsContact O-N 3.1Å |
| 1172 | L | 82.3 | Confident | 82.3 | Confident | 27 Ų | 27 | 67.2 Ų | 67.2 | 14% | 0.141 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.5 | -42.2 | -176 | -166.7 | 70.6 | 0 | 0 | 0 | 112.4 | E1166 K1169 R1174 E1175 C1176 Y1190 | E1166-L1172 HydrophobicContact CB-CD2 3.79Å; E1166-L1172 VanDerWaalsContact O-CD2 3.29Å; E1166-L1172 WeakPolarHBondContact O-CD2 3.26Å; K1169-L1172 HydrophobicContact CB-CB 4.24Å; K1169-L1172 PolarHBondContact O-N 3.33Å; L1172-R1174 VanDerWaalsContact C-N 3.25Å; L1172-R1174 PolarHBondContact O-N 3.05Å; L1172-E1175 PolarHBondContact O-N 3.36Å; L1172-C1176 PolarHBondContact O-N 3.1Å; L1172-Y1190 HydrophobicContact CD1-CD2 4.33Å; L1172-Y1190 HydrophobicContact CD1-CE1 4.32Å; L1172-Y1190 HydrophobicContact CD1-CE2 3.66Å; L1172-Y1190 HydrophobicContact CD2-CD1 3.86Å; L1172-Y1190 HydrophobicContact CD2-CD2 3.73Å; L1172-Y1190 HydrophobicContact CD2-CE1 3.98Å; L1172-Y1190 HydrophobicContact CD2-CE2 3.87Å; L1172-Y1190 HydrophobicContact CD2-CG 3.73Å; L1172-Y1190 HydrophobicContact CG-CD2 4.34Å; L1172-Y1190 HydrophobicContact CG-CE2 4.15Å |
| 1173 | R | 83.1 | Confident | 82.4 | Confident | 170.2 Ų | 170.2 | 67.2 Ų | 67.2 | 64% | 0.642 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -59.7 | -32.8 | 175.2 | -167.7 | 172.3 | 84.7 | 101.6 | -3.1 | 112.7 | K1169 S1171 A1177 | K1169-R1173 PolarHBondContact O-N 3.27Å; K1169-R1173 VanDerWaalsContact O-N 3.13Å; S1171-R1173 PolarHBondContact O-N 2.85Å; R1173-A1177 WeakPolarHBondContact O-CB 3.25Å; R1173-A1177 PolarHBondContact O-N 3.12Å |
| 1174 | R | 82.5 | Confident | 82.5 | Confident | 176.8 Ų | 176.8 | 67.4 Ų | 67.4 | 67% | 0.667 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -73.7 | -35.6 | 172.9 | -82.8 | -179 | -71.3 | 164.5 | -1.7 | 112.4 | P1170 S1171 L1172 A1177 R1178 | P1170-R1174 WeakPolarHBondContact O-CG 3.42Å; P1170-R1174 PolarHBondContact O-NE 3.13Å; P1170-R1174 PolarHBondContact O-NH2 3.07Å; S1171-R1174 WeakPolarHBondContact O-CB 3.34Å; S1171-R1174 PolarHBondContact O-N 3.19Å; L1172-R1174 VanDerWaalsContact C-N 3.25Å; L1172-R1174 PolarHBondContact O-N 3.05Å; R1174-A1177 PolarHBondContact O-N 3.04Å; R1174-R1178 WeakPolarHBondContact O-CB 3.36Å; R1174-R1178 PolarHBondContact O-N 2.96Å |
| 1175 | E | 81.3 | Confident | 82.5 | Confident | 77.8 Ų | 77.8 | 67.6 Ų | 67.6 | 36% | 0.364 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -69.7 | -43.8 | 178.4 | -171.4 | 57.1 | -162.2 | 0 | 0 | 111.9 | S1171 L1172 A1177 R1178 L1179 | S1171-E1175 PolarHBondContact O-N 3.1Å; S1171-E1175 VanDerWaalsContact O-N 3.1Å; L1172-E1175 PolarHBondContact O-N 3.36Å; E1175-A1177 VanDerWaalsContact C-N 3.3Å; E1175-A1177 PolarHBondContact O-N 3.14Å; E1175-R1178 VanDerWaalsContact CD-NE 3.32Å; E1175-R1178 VanDerWaalsContact O-CB 3.3Å; E1175-R1178 WeakPolarHBondContact O-CB 3.37Å; E1175-R1178 PolarHBondContact O-N 3.09Å; E1175-R1178 VanDerWaalsContact O-N 3.12Å; E1175-R1178 IonicContact OE1-CZ 3.19Å; E1175-R1178 VanDerWaalsContact OE1-CZ 3.26Å; E1175-R1178 IonicContact OE1-NE 3.24Å; E1175-R1178 PolarHBondContact OE1-NE 3.06Å; E1175-R1178 VanDerWaalsContact OE1-NE 3.13Å; E1175-R1178 IonicContact OE1-NH2 3.23Å; E1175-R1178 PolarHBondContact OE1-NH2 3.08Å; E1175-R1178 IonicContact OE2-CZ 3.3Å; E1175-R1178 IonicContact OE2-NE 3.25Å; E1175-R1178 PolarHBondContact OE2-NE 3Å; E1175-R1178 IonicContact OE2-NH2 3.57Å; E1175-L1179 WeakPolarHBondContact O-CG 3.25Å; E1175-L1179 PolarHBondContact O-N 3.12Å |
| 1176 | C | 82.2 | Confident | 82.3 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.5 | -42.3 | 170.4 | -67 | 0 | 0 | 0 | 0 | 112 | L1172 R1178 L1179 G1180 G1181 C1183 C1192 | L1172-C1176 PolarHBondContact O-N 3.1Å; C1176-R1178 VanDerWaalsContact C-N 3.31Å; C1176-R1178 PolarHBondContact O-N 2.75Å; C1176-L1179 CarbonylContact O-C 3.55Å; C1176-L1179 WeakPolarHBondContact O-CA 3.01Å; C1176-L1179 WeakPolarHBondContact O-CB 3.35Å; C1176-L1179 PolarHBondContact O-N 3.16Å; C1176-L1179 VanDerWaalsContact O-N 3.11Å; C1176-G1180 PolarHBondContact O-N 2.88Å; C1176-G1181 CarbonylContact C-O 3.44Å; C1176-G1181 VanDerWaalsContact C-O 3.29Å; C1176-G1181 CarbonylContact O-C 3.57Å; C1176-G1181 PolarHBondContact O-N 3.14Å; C1176-G1181 VanDerWaalsContact O-O 3.11Å; C1176-C1183 HydrophobicContact CB-CB 4.09Å; C1176-C1183 VanDerWaalsContact SG-CB 3.58Å; C1176-C1192 WeakPolarHBondContact CA-SG 3.23Å; C1176-C1192 HydrophobicContact CB-CB 3.58Å; C1176-C1192 WeakPolarHBondContact CB-SG 3.34Å; C1176-C1192 VanDerWaalsContact SG-CA 3.53Å; C1176-C1192 WeakPolarHBondContact SG-CA 3.25Å; C1176-C1192 WeakPolarHBondContact SG-CB 3.27Å; C1176-C1192 CovalentContact SG-SG 2.04Å; C1176-C1192 PolarHBondContact SG-SG 3.14Å |
| 1177 | A | 80.8 | Confident | 82 | Confident | 56.8 Ų | 56.8 | 73.8 Ų | 73.8 | 47% | 0.469 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.7 | -33.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | R1173 R1174 E1175 L1179 G1180 G1181 | R1173-A1177 WeakPolarHBondContact O-CB 3.25Å; R1173-A1177 PolarHBondContact O-N 3.12Å; R1174-A1177 PolarHBondContact O-N 3.04Å; E1175-A1177 VanDerWaalsContact C-N 3.3Å; E1175-A1177 PolarHBondContact O-N 3.14Å; A1177-L1179 PolarHBondContact O-N 3.35Å; A1177-G1180 PolarHBondContact O-N 2.91Å; A1177-G1181 WeakPolarHBondContact CA-O 3.4Å; A1177-G1181 PolarHBondContact N-O 3.08Å |
| 1178 | R | 77.8 | Confident | 81.5 | Confident | 153.2 Ų | 153.2 | 73.6 Ų | 73.6 | 58% | 0.578 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -62.5 | -29.8 | 173.1 | -166.3 | -178.7 | 74.1 | 83.8 | -0.9 | 112.3 | R1174 E1175 C1176 G1180 | R1174-R1178 WeakPolarHBondContact O-CB 3.36Å; R1174-R1178 PolarHBondContact O-N 2.96Å; E1175-R1178 VanDerWaalsContact CD-NE 3.32Å; E1175-R1178 VanDerWaalsContact O-CB 3.3Å; E1175-R1178 WeakPolarHBondContact O-CB 3.37Å; E1175-R1178 PolarHBondContact O-N 3.09Å; E1175-R1178 VanDerWaalsContact O-N 3.12Å; E1175-R1178 IonicContact OE1-CZ 3.19Å; E1175-R1178 VanDerWaalsContact OE1-CZ 3.26Å; E1175-R1178 IonicContact OE1-NE 3.24Å; E1175-R1178 PolarHBondContact OE1-NE 3.06Å; E1175-R1178 VanDerWaalsContact OE1-NE 3.13Å; E1175-R1178 IonicContact OE1-NH2 3.23Å; E1175-R1178 PolarHBondContact OE1-NH2 3.08Å; E1175-R1178 IonicContact OE2-CZ 3.3Å; E1175-R1178 IonicContact OE2-NE 3.25Å; E1175-R1178 PolarHBondContact OE2-NE 3Å; E1175-R1178 IonicContact OE2-NH2 3.57Å; C1176-R1178 VanDerWaalsContact C-N 3.31Å; C1176-R1178 PolarHBondContact O-N 2.75Å; R1178-G1180 VanDerWaalsContact C-N 3.31Å; R1178-G1180 PolarHBondContact O-N 2.85Å |
| 1179 | L | 70.1 | Confident | 81.1 | Confident | 32.4 Ų | 32.4 | 70.3 Ų | 70.3 | 17% | 0.17 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 1 | 173.8 | -56.2 | 175.3 | 0 | 0 | 0 | 113.6 | E1175 C1176 A1177 G1181 C1192 C1200 T1202 | E1175-L1179 WeakPolarHBondContact O-CG 3.25Å; E1175-L1179 PolarHBondContact O-N 3.12Å; C1176-L1179 CarbonylContact O-C 3.55Å; C1176-L1179 WeakPolarHBondContact O-CA 3.01Å; C1176-L1179 WeakPolarHBondContact O-CB 3.35Å; C1176-L1179 PolarHBondContact O-N 3.16Å; C1176-L1179 VanDerWaalsContact O-N 3.11Å; A1177-L1179 PolarHBondContact O-N 3.35Å; L1179-G1181 VanDerWaalsContact C-N 3.33Å; L1179-C1192 HydrophobicContact CD1-CB 4.38Å; L1179-C1200 HydrophobicContact CB-CB 3.7Å; L1179-C1200 HydrophobicContact CD1-CB 4.25Å; L1179-C1200 HydrophobicContact CG-CB 4.49Å; L1179-C1200 WeakPolarHBondContact O-CB 3.1Å; L1179-C1200 PolarHBondContact O-SG 2.03Å; L1179-C1200 VanDerWaalsContact O-SG 3.38Å; L1179-T1202 HydrophobicContact CD2-CG2 3.44Å; L1179-T1202 VanDerWaalsContact CD2-CG2 3.44Å |
| 1180 | G | 72.8 | Confident | 81.2 | Confident | 29.4 Ų | 29.4 | 71 Ų | 71 | 30% | 0.303 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 16.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | C1176 A1177 R1178 | C1176-G1180 PolarHBondContact O-N 2.88Å; A1177-G1180 PolarHBondContact O-N 2.91Å; R1178-G1180 VanDerWaalsContact C-N 3.31Å; R1178-G1180 PolarHBondContact O-N 2.85Å |
| 1181 | G | 79.4 | Confident | 81.1 | Confident | 10 Ų | 10 | 67.6 Ų | 67.6 | 10% | 0.103 | 35% | 0.346 | C | S | . | . | trans | -119.8 | 165.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | C1176 A1177 L1179 L1193 C1200 | C1176-G1181 CarbonylContact C-O 3.44Å; C1176-G1181 VanDerWaalsContact C-O 3.29Å; C1176-G1181 CarbonylContact O-C 3.57Å; C1176-G1181 PolarHBondContact O-N 3.14Å; C1176-G1181 VanDerWaalsContact O-O 3.11Å; A1177-G1181 WeakPolarHBondContact CA-O 3.4Å; A1177-G1181 PolarHBondContact N-O 3.08Å; L1179-G1181 VanDerWaalsContact C-N 3.33Å; G1181-L1193 CarbonylContact C-O 3.43Å; G1181-L1193 WeakPolarHBondContact CA-O 3.33Å; G1181-C1200 VanDerWaalsContact CA-SG 3.52Å; G1181-C1200 WeakPolarHBondContact CA-SG 3.23Å | ||
| 1182 | V | 85.4 | Confident | 81.1 | Confident | 104.4 Ų | 104.4 | 65 Ų | 65 | 63% | 0.633 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 134 | 172.2 | -177.7 | 0 | 0 | 0 | 0 | 109 | T1184 C1192 L1193 | V1182-T1184 PolarHBondContact O-N 3.25Å; V1182-C1192 CarbonylContact O-C 3.49Å; V1182-C1192 WeakPolarHBondContact O-CA 3.35Å; V1182-L1193 PolarHBondContact N-O 3.06Å; V1182-L1193 PolarHBondContact O-N 3.07Å |
| 1183 | C | 87.8 | Confident | 81.1 | Confident | 18.6 Ų | 18.6 | 65.6 Ų | 65.6 | 13% | 0.126 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 122.6 | 171.4 | -166.3 | 0 | 0 | 0 | 0 | 109.3 | C1167 C1176 | C1167-C1183 WeakPolarHBondContact CA-SG 3.39Å; C1167-C1183 HydrophobicContact CB-CB 3.77Å; C1167-C1183 WeakPolarHBondContact CB-SG 3.39Å; C1167-C1183 WeakPolarHBondContact SG-CB 3.27Å; C1167-C1183 CovalentContact SG-SG 2.04Å; C1167-C1183 PolarHBondContact SG-SG 3.1Å; C1176-C1183 HydrophobicContact CB-CB 4.09Å; C1176-C1183 VanDerWaalsContact SG-CB 3.58Å |
| 1184 | T | 86.4 | Confident | 80.8 | Confident | 43 Ų | 43 | 57.9 Ų | 57.9 | 26% | 0.264 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 121 | 172.2 | 58.5 | 0 | 0 | 0 | 0 | 109.5 | C1167 V1182 Y1190 A1191 L1193 | C1167-T1184 VanDerWaalsContact SG-C 3.56Å; C1167-T1184 PolarHBondContact SG-N 3.3Å; C1167-T1184 VanDerWaalsContact SG-N 3.41Å; V1182-T1184 PolarHBondContact O-N 3.25Å; T1184-Y1190 WeakPolarHBondContact O-CA 3.15Å; T1184-A1191 PolarHBondContact N-O 2.97Å; T1184-A1191 PolarHBondContact O-N 3.02Å; T1184-A1191 PolarHBondContact OG1-O 3.05Å; T1184-L1193 HydrophobicContact CG2-CB 4.46Å; T1184-L1193 HydrophobicContact CG2-CD1 3.89Å; T1184-L1193 HydrophobicContact CG2-CG 4.23Å; T1184-L1193 WeakPolarHBondContact OG1-CD1 3.32Å; T1184-L1193 WeakPolarHBondContact OG1-CG 3.07Å |
| 1185 | N | 85.2 | Confident | 80.5 | Confident | 44.6 Ų | 44.6 | 55.1 Ų | 55.1 | 24% | 0.239 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 145.8 | 173 | -160.4 | 65.3 | 0 | 0 | 0 | 110.2 | D1163 I1164 D1165 E1166 C1167 | D1163-N1185 PolarHBondContact OD2-ND2 3.12Å; I1164-N1185 PolarHBondContact O-ND2 2.91Å; I1164-N1185 PolarHBondContact O-OD1 3.13Å; D1165-N1185 WeakPolarHBondContact CA-OD1 3.2Å; D1165-N1185 WeakPolarHBondContact OD2-CB 3.07Å; E1166-N1185 PolarHBondContact N-OD1 3.08Å; C1167-N1185 HydrophobicContact CB-CB 4.49Å; C1167-N1185 PolarHBondContact SG-N 2.77Å; C1167-N1185 VanDerWaalsContact SG-N 3.41Å |
| 1186 | R | 81.2 | Confident | 79.7 | Confident | 105.6 Ų | 105.6 | 54.6 Ų | 54.6 | 40% | 0.398 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 157.9 | 179 | -57.2 | 173.5 | 167.4 | -150.4 | -5 | 108.7 | E647 G1188 D1189 A1191 | E647-R1186 IonicContact OE1-CZ 3.61Å; E647-R1186 IonicContact OE1-NH1 3.95Å; E647-R1186 PolarHBondContact OE1-NH1 3.14Å; R1186-G1188 PolarHBondContact O-N 3.24Å; R1186-D1189 CarbonylContact C-O 3.58Å; R1186-D1189 VanDerWaalsContact CA-O 3.29Å; R1186-D1189 WeakPolarHBondContact CA-O 3.3Å; R1186-D1189 VanDerWaalsContact CB-O 3.28Å; R1186-D1189 WeakPolarHBondContact CB-O 3.25Å; R1186-D1189 VanDerWaalsContact CB-OD1 3.29Å; R1186-D1189 WeakPolarHBondContact CB-OD1 3.45Å; R1186-D1189 WeakPolarHBondContact CD-OD1 3.23Å; R1186-D1189 PolarHBondContact N-O 3.03Å; R1186-D1189 PolarHBondContact O-N 3.07Å; R1186-D1189 VanDerWaalsContact O-N 3.14Å; R1186-A1191 VanDerWaalsContact CZ-CB 3.48Å; R1186-A1191 VanDerWaalsContact NH2-CB 3.35Å |
| 1187 | P | 80.2 | Confident | 79.1 | Confident | 105.8 Ų | 105.8 | 57.1 Ų | 57.1 | 69% | 0.687 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 104.3 | 177.7 | -25.3 | 35.8 | 0 | 0 | 0 | 112.3 | Y1130 D1163 | Y1130-P1187 VanDerWaalsContact OH-C 3.29Å; Y1130-P1187 VanDerWaalsContact OH-CB 3.29Å; Y1130-P1187 WeakPolarHBondContact OH-CB 3.26Å; Y1130-P1187 PolarHBondContact OH-O 3.37Å; D1163-P1187 WeakPolarHBondContact OD1-CA 3.35Å |
| 1188 | G | 76.1 | Confident | 78.4 | Confident | 11.8 Ų | 11.8 | 58.8 Ų | 58.8 | 12% | 0.122 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 7.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | R1086 Y1130 D1163 R1186 | R1086-G1188 PolarHBondContact NH2-O 3.1Å; Y1130-G1188 VanDerWaalsContact CE2-CA 3.46Å; D1163-G1188 PolarHBondContact OD1-N 3.26Å; R1186-G1188 PolarHBondContact O-N 3.24Å |
| 1189 | D | 79.4 | Confident | 78.1 | Confident | 63 Ų | 63 | 55.3 Ų | 55.3 | 34% | 0.337 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 175.7 | 172.3 | 110.7 | 16.8 | 0 | 0 | 0 | 112.8 | R1086 R1186 | R1086-D1189 WeakPolarHBondContact CG-OD2 3.41Å; R1086-D1189 IonicContact CZ-OD2 2.68Å; R1086-D1189 IonicContact NE-OD2 2.99Å; R1086-D1189 PolarHBondContact NE-OD2 2.8Å; R1086-D1189 IonicContact NH2-OD2 3.55Å; R1186-D1189 CarbonylContact C-O 3.58Å; R1186-D1189 VanDerWaalsContact CA-O 3.29Å; R1186-D1189 WeakPolarHBondContact CA-O 3.3Å; R1186-D1189 VanDerWaalsContact CB-O 3.28Å; R1186-D1189 WeakPolarHBondContact CB-O 3.25Å; R1186-D1189 VanDerWaalsContact CB-OD1 3.29Å; R1186-D1189 WeakPolarHBondContact CB-OD1 3.45Å; R1186-D1189 WeakPolarHBondContact CD-OD1 3.23Å; R1186-D1189 PolarHBondContact N-O 3.03Å; R1186-D1189 PolarHBondContact O-N 3.07Å; R1186-D1189 VanDerWaalsContact O-N 3.14Å |
| 1190 | Y | 83.6 | Confident | 78 | Confident | 100.2 Ų | 100.2 | 54.6 Ų | 54.6 | 39% | 0.393 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 158.4 | 174.9 | 67.1 | -90 | 0 | 0 | 0 | 111.5 | E1166 L1172 T1184 | E1166-Y1190 HydrophobicContact CB-CD1 3.8Å; E1166-Y1190 HydrophobicContact CB-CE1 4.35Å; E1166-Y1190 HydrophobicContact CB-CG 4.28Å; E1166-Y1190 HydrophobicContact CG-CD1 4.12Å; E1166-Y1190 HydrophobicContact CG-CE1 4.26Å; E1166-Y1190 WeakPolarHBondContact OE2-CD1 3.25Å; L1172-Y1190 HydrophobicContact CD1-CD2 4.33Å; L1172-Y1190 HydrophobicContact CD1-CE1 4.32Å; L1172-Y1190 HydrophobicContact CD1-CE2 3.66Å; L1172-Y1190 HydrophobicContact CD2-CD1 3.86Å; L1172-Y1190 HydrophobicContact CD2-CD2 3.73Å; L1172-Y1190 HydrophobicContact CD2-CE1 3.98Å; L1172-Y1190 HydrophobicContact CD2-CE2 3.87Å; L1172-Y1190 HydrophobicContact CD2-CG 3.73Å; L1172-Y1190 HydrophobicContact CG-CD2 4.34Å; L1172-Y1190 HydrophobicContact CG-CE2 4.15Å; T1184-Y1190 WeakPolarHBondContact O-CA 3.15Å |
| 1191 | A | 81.4 | Confident | 77.7 | Confident | 13.6 Ų | 13.6 | 55.8 Ų | 55.8 | 11% | 0.112 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 135 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T1184 R1186 L1193 | T1184-A1191 PolarHBondContact N-O 2.97Å; T1184-A1191 PolarHBondContact O-N 3.02Å; T1184-A1191 PolarHBondContact OG1-O 3.05Å; R1186-A1191 VanDerWaalsContact CZ-CB 3.48Å; R1186-A1191 VanDerWaalsContact NH2-CB 3.35Å; A1191-L1193 HydrophobicContact CB-CD2 4.11Å; A1191-L1193 HydrophobicContact CB-CG 4.38Å; A1191-L1193 PolarHBondContact O-N 3.09Å |
| 1192 | C | 83.9 | Confident | 77 | Confident | 20 Ų | 20 | 57.8 Ų | 57.8 | 14% | 0.135 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 102.5 | 165.2 | -55.4 | 0 | 0 | 0 | 0 | 108.9 | C1176 L1179 V1182 P1199 C1200 | C1176-C1192 WeakPolarHBondContact CA-SG 3.23Å; C1176-C1192 HydrophobicContact CB-CB 3.58Å; C1176-C1192 WeakPolarHBondContact CB-SG 3.34Å; C1176-C1192 VanDerWaalsContact SG-CA 3.53Å; C1176-C1192 WeakPolarHBondContact SG-CA 3.25Å; C1176-C1192 WeakPolarHBondContact SG-CB 3.27Å; C1176-C1192 CovalentContact SG-SG 2.04Å; C1176-C1192 PolarHBondContact SG-SG 3.14Å; L1179-C1192 HydrophobicContact CD1-CB 4.38Å; V1182-C1192 CarbonylContact O-C 3.49Å; V1182-C1192 WeakPolarHBondContact O-CA 3.35Å; C1192-P1199 CarbonylContact O-C 3.52Å; C1192-P1199 WeakPolarHBondContact O-CA 3.34Å; C1192-C1200 HydrophobicContact CB-CB 4.43Å; C1192-C1200 PolarHBondContact O-N 3.12Å |
| 1193 | L | 81.9 | Confident | 76 | Confident | 40.2 Ų | 40.2 | 55 Ų | 55 | 21% | 0.21 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 129.2 | -180 | -62.8 | -174.5 | 0 | 0 | 0 | 111.5 | G1181 V1182 T1184 A1191 G1197 | G1181-L1193 CarbonylContact C-O 3.43Å; G1181-L1193 WeakPolarHBondContact CA-O 3.33Å; V1182-L1193 PolarHBondContact N-O 3.06Å; V1182-L1193 PolarHBondContact O-N 3.07Å; T1184-L1193 HydrophobicContact CG2-CB 4.46Å; T1184-L1193 HydrophobicContact CG2-CD1 3.89Å; T1184-L1193 HydrophobicContact CG2-CG 4.23Å; T1184-L1193 WeakPolarHBondContact OG1-CD1 3.32Å; T1184-L1193 WeakPolarHBondContact OG1-CG 3.07Å; A1191-L1193 HydrophobicContact CB-CD2 4.11Å; A1191-L1193 HydrophobicContact CB-CG 4.38Å; A1191-L1193 PolarHBondContact O-N 3.09Å; L1193-G1197 WeakPolarHBondContact CD2-O 3.26Å |
| 1194 | C | 78.3 | Confident | 75 | Confident | 8.4 Ų | 8.4 | 61.3 Ų | 61.3 | 6% | 0.057 | 36% | 0.358 | C | S | . | . | trans | -81.2 | 168.6 | 175.5 | -93.7 | 0 | 0 | 0 | 0 | 111.3 | S1196 G1197 Q1198 C1200 S1222 | C1194-S1196 PolarHBondContact O-N 3Å; C1194-G1197 PolarHBondContact O-N 3Å; C1194-Q1198 WeakPolarHBondContact CB-O 3.22Å; C1194-Q1198 PolarHBondContact N-O 2.97Å; C1194-C1200 WeakPolarHBondContact CA-SG 3.39Å; C1194-C1200 HydrophobicContact CB-CB 4.27Å; C1194-C1200 WeakPolarHBondContact CB-SG 3.28Å; C1194-C1200 PolarHBondContact N-SG 2.96Å; C1194-C1200 VanDerWaalsContact N-SG 3.36Å; C1194-C1200 VanDerWaalsContact SG-CA 3.53Å; C1194-C1200 WeakPolarHBondContact SG-CA 3.47Å; C1194-C1200 WeakPolarHBondContact SG-CB 3.24Å; C1194-C1200 CovalentContact SG-SG 2.04Å; C1194-C1200 PolarHBondContact SG-SG 3.05Å; C1194-S1222 WeakPolarHBondContact SG-CB 3.34Å; C1194-S1222 PolarHBondContact SG-OG 2.89Å | ||
| 1195 | P | 75.1 | Confident | 74.1 | Confident | 119.2 Ų | 119.2 | 62.4 Ų | 62.4 | 77% | 0.774 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -19.4 | -178.2 | -26.8 | 36.2 | 0 | 0 | 0 | 115 | G1197 | P1195-G1197 VanDerWaalsContact C-N 3.29Å; P1195-G1197 PolarHBondContact O-N 2.98Å |
| 1196 | S | 65 | Low | 73.5 | Confident | 66 Ų | 66 | 65.3 Ų | 65.3 | 46% | 0.462 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 1.3 | 172.7 | 54.4 | 0 | 0 | 0 | 0 | 114.8 | C1194 Q1198 E1224 | C1194-S1196 PolarHBondContact O-N 3Å; S1196-Q1198 PolarHBondContact O-N 3.15Å; S1196-Q1198 VanDerWaalsContact O-N 3.16Å; S1196-E1224 WeakPolarHBondContact CB-OE1 3.48Å; S1196-E1224 PolarHBondContact OG-OE1 3.41Å |
| 1197 | G | 68.8 | Low | 73.2 | Confident | 52.2 Ų | 52.2 | 60.6 Ų | 60.6 | 54% | 0.538 | 36% | 0.363 | S | S | . | . | S | Bend | trans | 74.7 | -3.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1193 C1194 P1195 | L1193-G1197 WeakPolarHBondContact CD2-O 3.26Å; C1194-G1197 PolarHBondContact O-N 3Å; P1195-G1197 VanDerWaalsContact C-N 3.29Å; P1195-G1197 PolarHBondContact O-N 2.98Å |
| 1198 | Q | 66.9 | Low | 72.9 | Confident | 92.8 Ų | 92.8 | 59.3 Ų | 59.3 | 43% | 0.434 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -86.7 | 155.7 | 176.3 | -64.7 | -159.1 | 15.1 | 0 | 0 | 111.5 | C1194 S1196 C1200 E1224 | C1194-Q1198 WeakPolarHBondContact CB-O 3.22Å; C1194-Q1198 PolarHBondContact N-O 2.97Å; S1196-Q1198 PolarHBondContact O-N 3.15Å; S1196-Q1198 VanDerWaalsContact O-N 3.16Å; Q1198-C1200 PolarHBondContact O-N 3.01Å; Q1198-E1224 PolarHBondContact NE2-OE1 3.39Å |
| 1199 | P | 70.6 | Confident | 72.8 | Confident | 79.6 Ų | 79.6 | 68.8 Ų | 68.8 | 52% | 0.517 | 39% | 0.393 | S | S | . | . | B | Isolated β-bridge | trans | -62 | 135.4 | 171.9 | 27 | -35 | 0 | 0 | 0 | 110.9 | C1192 I1201 | C1192-P1199 CarbonylContact O-C 3.52Å; C1192-P1199 WeakPolarHBondContact O-CA 3.34Å; P1199-I1201 PolarHBondContact O-N 3.45Å |
| 1200 | C | 68.4 | Low | 72.6 | Confident | 18.6 Ų | 18.6 | 67.8 Ų | 67.8 | 13% | 0.126 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 137.9 | 180 | -61.2 | 0 | 0 | 0 | 0 | 112.5 | L1179 G1181 C1192 C1194 Q1198 | L1179-C1200 HydrophobicContact CB-CB 3.7Å; L1179-C1200 HydrophobicContact CD1-CB 4.25Å; L1179-C1200 HydrophobicContact CG-CB 4.49Å; L1179-C1200 WeakPolarHBondContact O-CB 3.1Å; L1179-C1200 PolarHBondContact O-SG 2.03Å; L1179-C1200 VanDerWaalsContact O-SG 3.38Å; G1181-C1200 VanDerWaalsContact CA-SG 3.52Å; G1181-C1200 WeakPolarHBondContact CA-SG 3.23Å; C1192-C1200 HydrophobicContact CB-CB 4.43Å; C1192-C1200 PolarHBondContact O-N 3.12Å; C1194-C1200 WeakPolarHBondContact CA-SG 3.39Å; C1194-C1200 HydrophobicContact CB-CB 4.27Å; C1194-C1200 WeakPolarHBondContact CB-SG 3.28Å; C1194-C1200 PolarHBondContact N-SG 2.96Å; C1194-C1200 VanDerWaalsContact N-SG 3.36Å; C1194-C1200 VanDerWaalsContact SG-CA 3.53Å; C1194-C1200 WeakPolarHBondContact SG-CA 3.47Å; C1194-C1200 WeakPolarHBondContact SG-CB 3.24Å; C1194-C1200 CovalentContact SG-SG 2.04Å; C1194-C1200 PolarHBondContact SG-SG 3.05Å; Q1198-C1200 PolarHBondContact O-N 3.01Å |
| 1201 | I | 66.6 | Low | 72.5 | Confident | 54.4 Ų | 54.4 | 67.2 Ų | 67.2 | 28% | 0.279 | 40% | 0.395 | S | S | . | . | B | Isolated β-bridge | trans | -114.1 | 137.5 | -179.2 | -58.3 | 175.6 | 0 | 0 | 0 | 108.8 | P1199 T1205 V1223 C1225 | P1199-I1201 PolarHBondContact O-N 3.45Å; I1201-T1205 HydrophobicContact CG2-CG2 4.19Å; I1201-T1205 WeakPolarHBondContact CG2-OG1 3.36Å; I1201-V1223 PolarHBondContact O-N 3Å; I1201-C1225 HydrophobicContact CD1-CB 4.16Å; I1201-C1225 WeakPolarHBondContact CD1-SG 3.13Å |
| 1202 | T | 65.6 | Low | 72.5 | Confident | 51.2 Ų | 51.2 | 69.3 Ų | 69.3 | 31% | 0.314 | 40% | 0.4 | S | S | . | . | trans | -70.7 | 148.4 | 175.9 | 48.9 | 0 | 0 | 0 | 0 | 111 | L1179 D1204 T1205 | L1179-T1202 HydrophobicContact CD2-CG2 3.44Å; L1179-T1202 VanDerWaalsContact CD2-CG2 3.44Å; T1202-D1204 PolarHBondContact O-N 3.29Å; T1202-D1204 VanDerWaalsContact O-N 3.11Å; T1202-T1205 WeakPolarHBondContact CA-OG1 3.33Å; T1202-T1205 PolarHBondContact N-OG1 3.28Å; T1202-T1205 VanDerWaalsContact N-OG1 3.15Å; T1202-T1205 PolarHBondContact O-N 3.04Å; T1202-T1205 VanDerWaalsContact O-N 3.1Å; T1202-T1205 PolarHBondContact O-OG1 3.06Å; T1202-T1205 PolarHBondContact OG1-N 3.35Å; T1202-T1205 PolarHBondContact OG1-OG1 3.13Å | ||
| 1203 | C | 64.6 | Low | 72.1 | Confident | 46.8 Ų | 46.8 | 69.9 Ų | 69.9 | 32% | 0.316 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -27.8 | 178.2 | -65.1 | 0 | 0 | 0 | 0 | 113.6 | T1205 M1213 C1217 V1223 | C1203-T1205 VanDerWaalsContact C-N 3.28Å; C1203-T1205 PolarHBondContact O-N 3.07Å; C1203-M1213 WeakPolarHBondContact O-CE 3.31Å; C1203-C1217 HydrophobicContact CB-CB 3.97Å; C1203-C1217 WeakPolarHBondContact CB-SG 3.27Å; C1203-C1217 WeakPolarHBondContact SG-CB 3.37Å; C1203-C1217 CovalentContact SG-SG 2.04Å; C1203-C1217 PolarHBondContact SG-SG 3.24Å; C1203-V1223 HydrophobicContact CB-CG2 4.44Å |
| 1204 | D | 66.7 | Low | 71.6 | Confident | 151.2 Ų | 151.2 | 69 Ų | 69 | 81% | 0.809 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -4.7 | -179.3 | -52.7 | -50.2 | 0 | 0 | 0 | 113.5 | T1202 N1206 | T1202-D1204 PolarHBondContact O-N 3.29Å; T1202-D1204 VanDerWaalsContact O-N 3.11Å; D1204-N1206 PolarHBondContact O-N 3.18Å |
| 1205 | T | 67.4 | Low | 71.2 | Confident | 64.4 Ų | 64.4 | 71.1 Ų | 71.1 | 40% | 0.395 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -95.3 | 117.7 | 178.7 | 14.5 | 0 | 0 | 0 | 0 | 111.8 | I1201 T1202 C1203 C1207 M1213 | I1201-T1205 HydrophobicContact CG2-CG2 4.19Å; I1201-T1205 WeakPolarHBondContact CG2-OG1 3.36Å; T1202-T1205 WeakPolarHBondContact CA-OG1 3.33Å; T1202-T1205 PolarHBondContact N-OG1 3.28Å; T1202-T1205 VanDerWaalsContact N-OG1 3.15Å; T1202-T1205 PolarHBondContact O-N 3.04Å; T1202-T1205 VanDerWaalsContact O-N 3.1Å; T1202-T1205 PolarHBondContact O-OG1 3.06Å; T1202-T1205 PolarHBondContact OG1-N 3.35Å; T1202-T1205 PolarHBondContact OG1-OG1 3.13Å; C1203-T1205 VanDerWaalsContact C-N 3.28Å; C1203-T1205 PolarHBondContact O-N 3.07Å; T1205-C1207 PolarHBondContact O-N 2.98Å; T1205-M1213 WeakPolarHBondContact O-CE 3.41Å |
| 1206 | N | 71.7 | Confident | 70.7 | Confident | 105.6 Ų | 105.6 | 70.7 Ų | 70.7 | 57% | 0.565 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 137.2 | 174 | -53.2 | 64.7 | 0 | 0 | 0 | 111.4 | D1204 Q1244 | D1204-N1206 PolarHBondContact O-N 3.18Å; N1206-Q1244 PolarHBondContact ND2-NE2 3.18Å; N1206-Q1244 VanDerWaalsContact ND2-NE2 3.11Å; N1206-Q1244 PolarHBondContact ND2-OE1 2.89Å |
| 1207 | C | 74.2 | Confident | 70.7 | Confident | 7.4 Ų | 7.4 | 71.2 Ų | 71.2 | 5% | 0.05 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 147 | 171.8 | -68.1 | 0 | 0 | 0 | 0 | 111.8 | T1205 Y1211 M1213 C1225 | T1205-C1207 PolarHBondContact O-N 2.98Å; C1207-Y1211 WeakPolarHBondContact CB-O 3.45Å; C1207-M1213 HydrophobicContact CB-CG 4.48Å; C1207-M1213 VanDerWaalsContact SG-CG 3.51Å; C1207-M1213 WeakPolarHBondContact SG-CG 3.37Å; C1207-C1225 VanDerWaalsContact CA-SG 3.52Å; C1207-C1225 WeakPolarHBondContact CA-SG 3.4Å; C1207-C1225 HydrophobicContact CB-CB 3.88Å; C1207-C1225 WeakPolarHBondContact CB-SG 3.25Å; C1207-C1225 VanDerWaalsContact SG-CA 3.54Å; C1207-C1225 WeakPolarHBondContact SG-CB 3.3Å; C1207-C1225 CovalentContact SG-SG 2.04Å; C1207-C1225 PolarHBondContact SG-SG 2.98Å |
| 1208 | P | 74.2 | Confident | 70.5 | Confident | 78.8 Ų | 78.8 | 70.1 Ų | 70.1 | 51% | 0.512 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 156.2 | 176.9 | 25.5 | -33.3 | 0 | 0 | 0 | 111.9 | G1210 Y1211 | P1208-G1210 PolarHBondContact O-N 2.99Å; P1208-Y1211 HydrophobicContact CB-CD2 4.46Å; P1208-Y1211 HydrophobicContact CG-CD2 3.85Å; P1208-Y1211 HydrophobicContact CG-CE2 4.44Å; P1208-Y1211 HydrophobicContact CG-CG 4.18Å; P1208-Y1211 WeakPolarHBondContact O-CB 3.29Å; P1208-Y1211 PolarHBondContact O-N 2.98Å |
| 1209 | K | 74.1 | Confident | 70 | Confident | 211.8 Ų | 211.8 | 77.4 Ų | 77.4 | 92% | 0.921 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 126.7 | -179.7 | -70.9 | -174.1 | 178 | -177.9 | 0 | 110.8 | ||
| 1210 | G | 75.4 | Confident | 69.3 | Low | 41.6 Ų | 41.6 | 80.8 Ų | 80.8 | 43% | 0.429 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94 | 7.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | P1208 C1228 | P1208-G1210 PolarHBondContact O-N 2.99Å; G1210-C1228 WeakPolarHBondContact O-CB 3.36Å; G1210-C1228 PolarHBondContact O-N 3.23Å; G1210-C1228 PolarHBondContact O-SG 3.17Å; G1210-C1228 VanDerWaalsContact O-SG 3.38Å |
| 1211 | Y | 80.9 | Confident | 68.8 | Low | 88.2 Ų | 88.2 | 85.4 Ų | 85.4 | 35% | 0.346 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 152.5 | 173.5 | -65.9 | -105.9 | 0 | 0 | 0 | 111.3 | C1207 P1208 C1225 K1226 R1227 C1228 | C1207-Y1211 WeakPolarHBondContact CB-O 3.45Å; P1208-Y1211 HydrophobicContact CB-CD2 4.46Å; P1208-Y1211 HydrophobicContact CG-CD2 3.85Å; P1208-Y1211 HydrophobicContact CG-CE2 4.44Å; P1208-Y1211 HydrophobicContact CG-CG 4.18Å; P1208-Y1211 WeakPolarHBondContact O-CB 3.29Å; P1208-Y1211 PolarHBondContact O-N 2.98Å; Y1211-C1225 HydrophobicContact CD1-CB 4.38Å; Y1211-C1225 WeakPolarHBondContact CD1-O 3.38Å; Y1211-K1226 CarbonylContact C-O 3.54Å; Y1211-K1226 VanDerWaalsContact CA-O 3.25Å; Y1211-K1226 WeakPolarHBondContact CA-O 3.26Å; Y1211-K1226 WeakPolarHBondContact CB-O 3.38Å; Y1211-R1227 HydrophobicContact CD1-CB 4.1Å; Y1211-R1227 HydrophobicContact CE1-CB 3.86Å; Y1211-R1227 HydrophobicContact CE1-CG 4.24Å; Y1211-R1227 HydrophobicContact CE2-CG 4.41Å; Y1211-C1228 PolarHBondContact N-SG 2.78Å |
| 1212 | W | 81.5 | Confident | 68.4 | Low | 56.4 Ų | 56.4 | 84.8 Ų | 84.8 | 21% | 0.214 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 150.1 | 178.5 | 69 | -82.8 | 0 | 0 | 0 | 111.4 | S1214 C1225 K1226 T1243 Q1244 D1247 | W1212-S1214 WeakPolarHBondContact CH2-OG 3.29Å; W1212-S1214 PolarHBondContact O-N 2.94Å; W1212-C1225 CarbonylContact O-C 3.55Å; W1212-C1225 WeakPolarHBondContact O-CA 3.26Å; W1212-K1226 VanDerWaalsContact CD1-O 3.26Å; W1212-K1226 HydrophobicContact CZ2-CB 4.37Å; W1212-K1226 HydrophobicContact CZ2-CD 4.42Å; W1212-K1226 PolarHBondContact N-O 3.13Å; W1212-K1226 PolarHBondContact O-N 3.15Å; W1212-T1243 VanDerWaalsContact CB-O 3.23Å; W1212-T1243 WeakPolarHBondContact CB-O 3.39Å; W1212-Q1244 WeakPolarHBondContact CA-O 3.29Å; W1212-D1247 HydrophobicContact CD2-CB 4.16Å; W1212-D1247 HydrophobicContact CG-CB 4.28Å; W1212-D1247 HydrophobicContact CZ2-CB 4.24Å; W1212-D1247 VanDerWaalsContact NE1-CG 3.35Å; W1212-D1247 PolarHBondContact NE1-OD2 3.28Å |
| 1213 | M | 75.7 | Confident | 68.4 | Low | 33 Ų | 33 | 82.9 Ų | 82.9 | 16% | 0.163 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 111 | -179 | -76.1 | -178.9 | 124.3 | 0 | 0 | 111.5 | C1203 T1205 C1207 C1217 V1223 Q1244 H1245 | C1203-M1213 WeakPolarHBondContact O-CE 3.31Å; T1205-M1213 WeakPolarHBondContact O-CE 3.41Å; C1207-M1213 HydrophobicContact CB-CG 4.48Å; C1207-M1213 VanDerWaalsContact SG-CG 3.51Å; C1207-M1213 WeakPolarHBondContact SG-CG 3.37Å; M1213-C1217 HydrophobicContact CE-CB 4.37Å; M1213-V1223 HydrophobicContact CB-CG1 3.61Å; M1213-V1223 VanDerWaalsContact CB-CG1 3.44Å; M1213-V1223 HydrophobicContact CE-CG1 3.99Å; M1213-V1223 HydrophobicContact CE-CG2 4.22Å; M1213-V1223 HydrophobicContact CG-CG1 3.65Å; M1213-V1223 HydrophobicContact SD-CG1 4.26Å; M1213-Q1244 WeakPolarHBondContact CB-O 3.19Å; M1213-Q1244 WeakPolarHBondContact CE-O 3.44Å; M1213-Q1244 HydrophobicContact CG-CG 4.19Å; M1213-Q1244 VanDerWaalsContact CG-O 3.29Å; M1213-Q1244 WeakPolarHBondContact CG-O 3.29Å; M1213-Q1244 PolarHBondContact N-O 2.91Å; M1213-Q1244 HydrophobicContact SD-CG 3.73Å; M1213-Q1244 PolarHBondContact SD-NE2 3.3Å; M1213-Q1244 VanDerWaalsContact SD-NE2 3.37Å; M1213-H1245 HydrophobicContact CE-CB 4.34Å; M1213-H1245 WeakPolarHBondContact CE-CE1 3.11Å; M1213-H1245 WeakPolarHBondContact CE-ND1 3.42Å; M1213-H1245 HydrophobicContact CG-CB 4.47Å; M1213-H1245 HydrophobicContact SD-CB 4.23Å; M1213-H1245 PolarHBondContact SD-CE1 3.2Å; M1213-H1245 PolarHBondContact SD-ND1 3.22Å; M1213-H1245 VanDerWaalsContact SD-ND1 3.38Å |
| 1214 | S | 72.1 | Confident | 68.7 | Low | 20.4 Ų | 20.4 | 83.3 Ų | 83.3 | 14% | 0.143 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 107 | 177.2 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | W1212 E1224 K1226 | W1212-S1214 WeakPolarHBondContact CH2-OG 3.29Å; W1212-S1214 PolarHBondContact O-N 2.94Å; S1214-E1224 WeakPolarHBondContact CA-O 3.35Å; S1214-E1224 WeakPolarHBondContact CB-O 3.09Å; S1214-E1224 PolarHBondContact N-O 3.21Å; S1214-E1224 WeakPolarHBondContact O-CG 3.47Å; S1214-E1224 PolarHBondContact O-N 3.12Å; S1214-E1224 VanDerWaalsContact O-N 3.15Å; S1214-E1224 PolarHBondContact OG-OE1 3.3Å; S1214-E1224 VanDerWaalsContact OG-OE1 3.06Å; S1214-K1226 WeakPolarHBondContact OG-CD 3.4Å; S1214-K1226 WeakPolarHBondContact OG-CE 3.43Å; S1214-K1226 PolarHBondContact OG-NZ 3.18Å |
| 1215 | G | 68.7 | Low | 69.1 | Low | 53 Ų | 53 | 76.9 Ų | 76.9 | 55% | 0.546 | 42% | 0.418 | S | S | . | . | S | Bend | trans | 140.8 | 162.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 1216 | V | 65.9 | Low | 69.6 | Low | 112.2 Ų | 112.2 | 77.8 Ų | 77.8 | 68% | 0.68 | 42% | 0.416 | S | S | * | . | trans | -93.6 | 127.3 | 172.6 | -173.4 | 0 | 0 | 0 | 0 | 107.6 | G1218 Q1221 | V1216-G1218 VanDerWaalsContact C-N 3.28Å; V1216-G1218 PolarHBondContact O-N 3.18Å; V1216-G1218 VanDerWaalsContact O-N 3.15Å; V1216-Q1221 WeakPolarHBondContact O-CB 3.09Å; V1216-Q1221 PolarHBondContact O-OE1 3.1Å | ||
| 1217 | C | 65.6 | Low | 70 | Confident | 75.8 Ų | 75.8 | 81.3 Ų | 81.3 | 51% | 0.512 | 42% | 0.421 | S | S | . | . | trans | -71.2 | 99.5 | 171.9 | 179.2 | 0 | 0 | 0 | 0 | 109.4 | C1203 M1213 V1223 | C1203-C1217 HydrophobicContact CB-CB 3.97Å; C1203-C1217 WeakPolarHBondContact CB-SG 3.27Å; C1203-C1217 WeakPolarHBondContact SG-CB 3.37Å; C1203-C1217 CovalentContact SG-SG 2.04Å; C1203-C1217 PolarHBondContact SG-SG 3.24Å; M1213-C1217 HydrophobicContact CE-CB 4.37Å; C1217-V1223 HydrophobicContact CB-CG2 4.28Å | ||
| 1218 | G | 62.5 | Low | 70.5 | Confident | 28.4 Ų | 28.4 | 82 Ų | 82 | 29% | 0.293 | 43% | 0.426 | S | S | . | . | B | Isolated β-bridge | trans | -116.3 | 161.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V1216 N1220 Q1221 | V1216-G1218 VanDerWaalsContact C-N 3.28Å; V1216-G1218 PolarHBondContact O-N 3.18Å; V1216-G1218 VanDerWaalsContact O-N 3.15Å; G1218-N1220 PolarHBondContact O-N 3.25Å; G1218-N1220 VanDerWaalsContact O-N 3.14Å; G1218-Q1221 PolarHBondContact O-N 3.16Å; G1218-Q1221 VanDerWaalsContact O-N 3.11Å |
| 1219 | R | 56.5 | Low | 70.9 | Confident | 247 Ų | 247 | 80.8 Ų | 80.8 | 93% | 0.932 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 123.5 | 168.2 | -69.3 | -177.8 | -179.3 | 174.9 | 0.4 | 108.2 | Q1221 | R1219-Q1221 VanDerWaalsContact C-N 3.29Å; R1219-Q1221 PolarHBondContact O-N 3.1Å |
| 1220 | N | 56.5 | Low | 71 | Confident | 151.2 Ų | 151.2 | 76.4 Ų | 76.4 | 81% | 0.809 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | 23.4 | -174.5 | -48.7 | -11 | 0 | 0 | 0 | 115.4 | G1218 | G1218-N1220 PolarHBondContact O-N 3.25Å; G1218-N1220 VanDerWaalsContact O-N 3.14Å |
| 1221 | Q | 58.3 | Low | 71.2 | Confident | 115.2 Ų | 115.2 | 78 Ų | 78 | 54% | 0.538 | 42% | 0.415 | S | S | . | . | B | Isolated β-bridge | trans | -120.9 | 125.4 | 171.6 | -66.6 | -177.2 | -7.1 | 0 | 0 | 110.7 | V1216 G1218 R1219 | V1216-Q1221 WeakPolarHBondContact O-CB 3.09Å; V1216-Q1221 PolarHBondContact O-OE1 3.1Å; G1218-Q1221 PolarHBondContact O-N 3.16Å; G1218-Q1221 VanDerWaalsContact O-N 3.11Å; R1219-Q1221 VanDerWaalsContact C-N 3.29Å; R1219-Q1221 PolarHBondContact O-N 3.1Å |
| 1222 | S | 58.9 | Low | 71.4 | Confident | 41.2 Ų | 41.2 | 74.2 Ų | 74.2 | 29% | 0.288 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -83.4 | 144.6 | 177.8 | 53.1 | 0 | 0 | 0 | 0 | 111.6 | C1194 | C1194-S1222 WeakPolarHBondContact SG-CB 3.34Å; C1194-S1222 PolarHBondContact SG-OG 2.89Å |
| 1223 | V | 65.5 | Low | 71.4 | Confident | 10.8 Ų | 10.8 | 75 Ų | 75 | 7% | 0.065 | 41% | 0.414 | C | S | . | . | B | Isolated β-bridge | trans | -92.7 | 128.8 | 175.1 | -178.4 | 0 | 0 | 0 | 0 | 109.7 | I1201 C1203 M1213 C1217 | I1201-V1223 PolarHBondContact O-N 3Å; C1203-V1223 HydrophobicContact CB-CG2 4.44Å; M1213-V1223 HydrophobicContact CB-CG1 3.61Å; M1213-V1223 VanDerWaalsContact CB-CG1 3.44Å; M1213-V1223 HydrophobicContact CE-CG1 3.99Å; M1213-V1223 HydrophobicContact CE-CG2 4.22Å; M1213-V1223 HydrophobicContact CG-CG1 3.65Å; M1213-V1223 HydrophobicContact SD-CG1 4.26Å; C1217-V1223 HydrophobicContact CB-CG2 4.28Å |
| 1224 | E | 70.1 | Confident | 71.6 | Confident | 55.6 Ų | 55.6 | 79.8 Ų | 79.8 | 26% | 0.26 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 128 | 175.6 | -166.1 | -175.9 | 179 | 0 | 0 | 110.5 | S1196 Q1198 S1214 K1226 | S1196-E1224 WeakPolarHBondContact CB-OE1 3.48Å; S1196-E1224 PolarHBondContact OG-OE1 3.41Å; Q1198-E1224 PolarHBondContact NE2-OE1 3.39Å; S1214-E1224 WeakPolarHBondContact CA-O 3.35Å; S1214-E1224 WeakPolarHBondContact CB-O 3.09Å; S1214-E1224 PolarHBondContact N-O 3.21Å; S1214-E1224 WeakPolarHBondContact O-CG 3.47Å; S1214-E1224 PolarHBondContact O-N 3.12Å; S1214-E1224 VanDerWaalsContact O-N 3.15Å; S1214-E1224 PolarHBondContact OG-OE1 3.3Å; S1214-E1224 VanDerWaalsContact OG-OE1 3.06Å; E1224-K1226 VanDerWaalsContact CD-NZ 3.33Å; E1224-K1226 HydrophobicContact CG-CG 4.32Å; E1224-K1226 PolarHBondContact O-N 3.22Å; E1224-K1226 WeakPolarHBondContact OE1-CE 3.42Å; E1224-K1226 WeakPolarHBondContact OE1-CG 3.49Å; E1224-K1226 IonicContact OE1-NZ 3.19Å; E1224-K1226 PolarHBondContact OE1-NZ 3.18Å; E1224-K1226 VanDerWaalsContact OE2-CE 3.29Å; E1224-K1226 WeakPolarHBondContact OE2-CE 3.33Å; E1224-K1226 IonicContact OE2-NZ 2.72Å; E1224-K1226 PolarHBondContact OE2-NZ 3.01Å |
| 1225 | C | 76.1 | Confident | 72 | Confident | 16.2 Ų | 16.2 | 81.3 Ų | 81.3 | 11% | 0.109 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 102 | 171.8 | -69.5 | 0 | 0 | 0 | 0 | 109.8 | I1201 C1207 Y1211 W1212 | I1201-C1225 HydrophobicContact CD1-CB 4.16Å; I1201-C1225 WeakPolarHBondContact CD1-SG 3.13Å; C1207-C1225 VanDerWaalsContact CA-SG 3.52Å; C1207-C1225 WeakPolarHBondContact CA-SG 3.4Å; C1207-C1225 HydrophobicContact CB-CB 3.88Å; C1207-C1225 WeakPolarHBondContact CB-SG 3.25Å; C1207-C1225 VanDerWaalsContact SG-CA 3.54Å; C1207-C1225 WeakPolarHBondContact SG-CB 3.3Å; C1207-C1225 CovalentContact SG-SG 2.04Å; C1207-C1225 PolarHBondContact SG-SG 2.98Å; Y1211-C1225 HydrophobicContact CD1-CB 4.38Å; Y1211-C1225 WeakPolarHBondContact CD1-O 3.38Å; W1212-C1225 CarbonylContact O-C 3.55Å; W1212-C1225 WeakPolarHBondContact O-CA 3.26Å |
| 1226 | K | 77.2 | Confident | 72.9 | Confident | 83.2 Ų | 83.2 | 81.9 Ų | 81.9 | 36% | 0.362 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 145.5 | 174.7 | -73.9 | -171 | 177.4 | 110.6 | 0 | 110.8 | Y1211 W1212 S1214 E1224 C1228 | Y1211-K1226 CarbonylContact C-O 3.54Å; Y1211-K1226 VanDerWaalsContact CA-O 3.25Å; Y1211-K1226 WeakPolarHBondContact CA-O 3.26Å; Y1211-K1226 WeakPolarHBondContact CB-O 3.38Å; W1212-K1226 VanDerWaalsContact CD1-O 3.26Å; W1212-K1226 HydrophobicContact CZ2-CB 4.37Å; W1212-K1226 HydrophobicContact CZ2-CD 4.42Å; W1212-K1226 PolarHBondContact N-O 3.13Å; W1212-K1226 PolarHBondContact O-N 3.15Å; S1214-K1226 WeakPolarHBondContact OG-CD 3.4Å; S1214-K1226 WeakPolarHBondContact OG-CE 3.43Å; S1214-K1226 PolarHBondContact OG-NZ 3.18Å; E1224-K1226 VanDerWaalsContact CD-NZ 3.33Å; E1224-K1226 HydrophobicContact CG-CG 4.32Å; E1224-K1226 PolarHBondContact O-N 3.22Å; E1224-K1226 WeakPolarHBondContact OE1-CE 3.42Å; E1224-K1226 WeakPolarHBondContact OE1-CG 3.49Å; E1224-K1226 IonicContact OE1-NZ 3.19Å; E1224-K1226 PolarHBondContact OE1-NZ 3.18Å; E1224-K1226 VanDerWaalsContact OE2-CE 3.29Å; E1224-K1226 WeakPolarHBondContact OE2-CE 3.33Å; E1224-K1226 IonicContact OE2-NZ 2.72Å; E1224-K1226 PolarHBondContact OE2-NZ 3.01Å; K1226-C1228 PolarHBondContact O-N 2.86Å |
| 1227 | R | 80.7 | Confident | 73.9 | Confident | 179 Ų | 179 | 78.1 Ų | 78.1 | 68% | 0.675 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 136.6 | 179.3 | -165.6 | 174.6 | -175.4 | 164 | 1.4 | 109.8 | Y1211 | Y1211-R1227 HydrophobicContact CD1-CB 4.1Å; Y1211-R1227 HydrophobicContact CE1-CB 3.86Å; Y1211-R1227 HydrophobicContact CE1-CG 4.24Å; Y1211-R1227 HydrophobicContact CE2-CG 4.41Å |
| 1228 | C | 83.6 | Confident | 74.8 | Confident | 22.4 Ų | 22.4 | 77.2 Ų | 77.2 | 15% | 0.151 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 142.8 | 171.9 | -63.1 | 0 | 0 | 0 | 0 | 110.7 | G1210 Y1211 K1226 T1230 C1242 D1247 | G1210-C1228 WeakPolarHBondContact O-CB 3.36Å; G1210-C1228 PolarHBondContact O-N 3.23Å; G1210-C1228 PolarHBondContact O-SG 3.17Å; G1210-C1228 VanDerWaalsContact O-SG 3.38Å; Y1211-C1228 PolarHBondContact N-SG 2.78Å; K1226-C1228 PolarHBondContact O-N 2.86Å; C1228-T1230 PolarHBondContact O-N 3.1Å; C1228-C1242 HydrophobicContact CB-CB 3.64Å; C1228-C1242 WeakPolarHBondContact CB-SG 3.37Å; C1228-C1242 WeakPolarHBondContact SG-CB 3.32Å; C1228-C1242 CovalentContact SG-SG 2.03Å; C1228-C1242 PolarHBondContact SG-SG 3.11Å; C1228-D1247 VanDerWaalsContact CA-OD1 3.31Å; C1228-D1247 WeakPolarHBondContact CA-OD1 3.37Å |
| 1229 | S | 82 | Confident | 75.9 | Confident | 53.8 Ų | 53.8 | 80.8 Ų | 80.8 | 38% | 0.376 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 137.2 | 170.3 | -54.4 | 0 | 0 | 0 | 0 | 110.8 | S1231 D1247 R1248 | S1229-S1231 PolarHBondContact O-N 3.44Å; S1229-D1247 VanDerWaalsContact CB-OD2 3.27Å; S1229-D1247 WeakPolarHBondContact CB-OD2 3.32Å; S1229-D1247 PolarHBondContact N-OD1 2.9Å; S1229-D1247 PolarHBondContact N-OD2 2.86Å; S1229-D1247 PolarHBondContact OG-OD1 3.01Å; S1229-D1247 PolarHBondContact OG-OD2 3.16Å; S1229-R1248 VanDerWaalsContact O-CZ 3.26Å; S1229-R1248 PolarHBondContact O-NE 3.15Å; S1229-R1248 VanDerWaalsContact O-NE 3.17Å; S1229-R1248 PolarHBondContact O-NH2 3.03Å; S1229-R1248 WeakPolarHBondContact OG-CB 3.45Å |
| 1230 | T | 77.9 | Confident | 77.3 | Confident | 118.8 Ų | 118.8 | 74.4 Ų | 74.4 | 73% | 0.729 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -74.8 | -34.8 | -170.3 | 45.7 | 0 | 0 | 0 | 0 | 113.8 | C1228 R1248 | C1228-T1230 PolarHBondContact O-N 3.1Å; T1230-R1248 PolarHBondContact O-NH2 3.05Å; T1230-R1248 VanDerWaalsContact O-NH2 3.11Å |
| 1231 | S | 79.2 | Confident | 78.6 | Confident | 75.4 Ų | 75.4 | 70.9 Ų | 70.9 | 53% | 0.527 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -156.5 | 158.1 | 179.4 | 52.7 | 0 | 0 | 0 | 0 | 109.9 | S1229 | S1229-S1231 PolarHBondContact O-N 3.44Š|
| 1232 | C | 84 | Confident | 79.9 | Confident | 9.6 Ų | 9.6 | 67.2 Ų | 67.2 | 7% | 0.065 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 149.3 | 166 | -69 | 0 | 0 | 0 | 0 | 111 | M1236 Y1237 E1238 C1250 | C1232-M1236 HydrophobicContact CB-CB 4.12Å; C1232-M1236 WeakPolarHBondContact CB-O 3.25Å; C1232-Y1237 VanDerWaalsContact SG-C 3.54Å; C1232-E1238 PolarHBondContact SG-N 3.17Å; C1232-E1238 VanDerWaalsContact SG-N 3.43Å; C1232-C1250 WeakPolarHBondContact CA-SG 3.33Å; C1232-C1250 HydrophobicContact CB-CB 3.83Å; C1232-C1250 WeakPolarHBondContact CB-SG 3.27Å; C1232-C1250 WeakPolarHBondContact SG-CB 3.33Å; C1232-C1250 CovalentContact SG-SG 2.04Å; C1232-C1250 PolarHBondContact SG-SG 2.95Å |
| 1233 | P | 82.8 | Confident | 81 | Confident | 72.6 Ų | 72.6 | 68.2 Ų | 68.2 | 47% | 0.471 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -60 | 160.2 | 173.9 | -23.8 | 34.3 | 0 | 0 | 0 | 113 | G1235 M1236 | P1233-G1235 PolarHBondContact O-N 3.04Å; P1233-M1236 HydrophobicContact CB-SD 4.45Å; P1233-M1236 HydrophobicContact CG-SD 4.25Å; P1233-M1236 WeakPolarHBondContact O-CB 3.13Å; P1233-M1236 PolarHBondContact O-N 3.22Å; P1233-M1236 VanDerWaalsContact O-N 3.09Å |
| 1234 | P | 80 | Confident | 81.5 | Confident | 134.2 Ų | 134.2 | 71.4 Ų | 71.4 | 87% | 0.871 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 137.1 | 169.9 | -24.7 | 34.6 | 0 | 0 | 0 | 111.6 | M1236 | P1234-M1236 VanDerWaalsContact C-N 3.3Å; P1234-M1236 PolarHBondContact O-N 3Å |
| 1235 | G | 80.4 | Confident | 81.9 | Confident | 51.2 Ų | 51.2 | 74.6 Ų | 74.6 | 53% | 0.528 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | 3.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | P1233 C1253 | P1233-G1235 PolarHBondContact O-N 3.04Å; G1235-C1253 WeakPolarHBondContact O-CB 3.45Å; G1235-C1253 PolarHBondContact O-N 3.12Å; G1235-C1253 PolarHBondContact O-SG 2.92Å |
| 1236 | M | 87.6 | Confident | 82.2 | Confident | 65.4 Ų | 65.4 | 75.8 Ų | 75.8 | 32% | 0.322 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 148.8 | 174.7 | -54.7 | -156 | 109 | 0 | 0 | 112.5 | C1232 P1233 P1234 C1250 R1251 A1252 | C1232-M1236 HydrophobicContact CB-CB 4.12Å; C1232-M1236 WeakPolarHBondContact CB-O 3.25Å; P1233-M1236 HydrophobicContact CB-SD 4.45Å; P1233-M1236 HydrophobicContact CG-SD 4.25Å; P1233-M1236 WeakPolarHBondContact O-CB 3.13Å; P1233-M1236 PolarHBondContact O-N 3.22Å; P1233-M1236 VanDerWaalsContact O-N 3.09Å; P1234-M1236 VanDerWaalsContact C-N 3.3Å; P1234-M1236 PolarHBondContact O-N 3Å; M1236-C1250 HydrophobicContact CB-CB 4.12Å; M1236-C1250 HydrophobicContact CE-CB 4.06Å; M1236-C1250 WeakPolarHBondContact CE-O 3.35Å; M1236-C1250 HydrophobicContact SD-CB 4.15Å; M1236-R1251 CarbonylContact C-O 3.55Å; M1236-R1251 WeakPolarHBondContact CA-O 3.28Å; M1236-R1251 WeakPolarHBondContact CB-O 3.31Å; M1236-R1251 VanDerWaalsContact SD-C 3.59Å; M1236-A1252 WeakPolarHBondContact SD-CA 3.15Å; M1236-A1252 HydrophobicContact SD-CB 3.79Å; M1236-A1252 PolarHBondContact SD-N 3.28Å |
| 1237 | Y | 85.8 | Confident | 82.5 | Confident | 33.8 Ų | 33.8 | 73.6 Ų | 73.6 | 13% | 0.133 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 155.1 | 174.9 | 74.8 | -84.1 | 0 | 0 | 0 | 112 | C1232 Y1239 C1250 R1251 A1252 K1268 G1269 S1271 N1272 | C1232-Y1237 VanDerWaalsContact SG-C 3.54Å; Y1237-Y1239 HydrophobicContact CE2-CD2 4.35Å; Y1237-Y1239 PolarHBondContact O-N 2.92Å; Y1237-Y1239 VanDerWaalsContact O-N 3.14Å; Y1237-C1250 CarbonylContact O-C 3.44Å; Y1237-C1250 VanDerWaalsContact O-CA 3.31Å; Y1237-C1250 WeakPolarHBondContact O-CA 3.34Å; Y1237-R1251 HydrophobicContact CD1-CB 4.4Å; Y1237-R1251 VanDerWaalsContact CD1-O 3.27Å; Y1237-R1251 WeakPolarHBondContact CD1-O 3.36Å; Y1237-R1251 HydrophobicContact CE1-CB 3.78Å; Y1237-R1251 PolarHBondContact N-O 2.74Å; Y1237-R1251 PolarHBondContact O-N 3.17Å; Y1237-A1252 VanDerWaalsContact CE1-O 3.29Å; Y1237-A1252 WeakPolarHBondContact CE1-O 3.4Å; Y1237-K1268 VanDerWaalsContact CB-O 3.28Å; Y1237-K1268 WeakPolarHBondContact CB-O 3.4Å; Y1237-G1269 CarbonylContact C-O 3.13Å; Y1237-S1271 VanDerWaalsContact CB-C 3.49Å; Y1237-S1271 WeakPolarHBondContact CB-O 3.43Å; Y1237-N1272 HydrophobicContact CD1-CB 3.69Å; Y1237-N1272 HydrophobicContact CD2-CB 3.96Å; Y1237-N1272 HydrophobicContact CE1-CB 3.61Å; Y1237-N1272 VanDerWaalsContact CE1-CG 3.41Å; Y1237-N1272 HydrophobicContact CE2-CB 3.91Å; Y1237-N1272 HydrophobicContact CG-CB 3.87Å |
| 1238 | E | 86 | Confident | 82.7 | Confident | 56.8 Ų | 56.8 | 67.6 Ų | 67.6 | 27% | 0.265 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 109.5 | 175.5 | -174.6 | 169.5 | 155.3 | 0 | 0 | 111 | C1232 P1241 R1248 G1269 | C1232-E1238 PolarHBondContact SG-N 3.17Å; C1232-E1238 VanDerWaalsContact SG-N 3.43Å; E1238-P1241 WeakPolarHBondContact OE1-CA 3.31Å; E1238-P1241 VanDerWaalsContact OE1-CB 3.27Å; E1238-P1241 WeakPolarHBondContact OE1-CB 3.3Å; E1238-R1248 HydrophobicContact CB-CG 4.49Å; E1238-R1248 HydrophobicContact CG-CG 3.89Å; E1238-R1248 IonicContact OE1-NH1 3.85Å; E1238-R1248 VanDerWaalsContact OE2-CD 3.28Å; E1238-R1248 WeakPolarHBondContact OE2-CD 3.39Å; E1238-R1248 IonicContact OE2-CZ 3.45Å; E1238-R1248 VanDerWaalsContact OE2-CZ 3.27Å; E1238-R1248 IonicContact OE2-NE 3.58Å; E1238-R1248 PolarHBondContact OE2-NE 3.45Å; E1238-R1248 IonicContact OE2-NH1 3.29Å; E1238-R1248 PolarHBondContact OE2-NH1 3.12Å; E1238-R1248 IonicContact OE2-NH2 3.54Å; E1238-G1269 VanDerWaalsContact CB-O 3.28Å; E1238-G1269 WeakPolarHBondContact CB-O 3.41Å; E1238-G1269 PolarHBondContact N-O 2.99Å |
| 1239 | Y | 85.4 | Confident | 83 | Confident | 102.4 Ų | 102.4 | 69.5 Ų | 69.5 | 40% | 0.402 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | -31.9 | 175.7 | 176.1 | -110.1 | 0 | 0 | 0 | 112.2 | Y1237 V1249 R1251 | Y1237-Y1239 HydrophobicContact CE2-CD2 4.35Å; Y1237-Y1239 PolarHBondContact O-N 2.92Å; Y1237-Y1239 VanDerWaalsContact O-N 3.14Å; Y1239-V1249 WeakPolarHBondContact CA-O 3.3Å; Y1239-V1249 WeakPolarHBondContact CB-O 3.25Å; Y1239-V1249 HydrophobicContact CD1-CG1 4.29Å; Y1239-V1249 PolarHBondContact N-O 3.04Å; Y1239-R1251 HydrophobicContact CD1-CG 4.29Å; Y1239-R1251 VanDerWaalsContact CD1-NE 3.32Å; Y1239-R1251 VanDerWaalsContact CE1-CZ 3.47Å; Y1239-R1251 VanDerWaalsContact CE1-NH2 3.32Å; Y1239-R1251 VanDerWaalsContact CE2-NH1 3.32Å; Y1239-R1251 VanDerWaalsContact CG-CD 3.49Å; Y1239-R1251 HydrophobicContact CG-CG 3.97Å; Y1239-R1251 VanDerWaalsContact CZ-CZ 3.43Å; Y1239-R1251 VanDerWaalsContact CZ-NH1 3.29Å; Y1239-R1251 PolarHBondContact OH-NH1 3.11Å |
| 1240 | K | 85 | Confident | 83.3 | Confident | 114 Ų | 114 | 68.5 Ų | 68.5 | 50% | 0.496 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 138.4 | 166 | -64 | -174.4 | 176.1 | -176.1 | 0 | 110.3 | R1248 V1249 | K1240-R1248 CarbonylContact O-C 3.6Å; K1240-R1248 WeakPolarHBondContact O-CA 3.2Å; K1240-R1248 WeakPolarHBondContact O-CG 3.34Å; K1240-V1249 HydrophobicContact CB-CB 4.04Å; K1240-V1249 HydrophobicContact CB-CG2 4.19Å; K1240-V1249 HydrophobicContact CD-CG2 4.45Å; K1240-V1249 HydrophobicContact CG-CB 4.46Å; K1240-V1249 PolarHBondContact N-O 3.35Å; K1240-V1249 VanDerWaalsContact N-O 3.12Å; K1240-V1249 PolarHBondContact O-N 2.89Å |
| 1241 | P | 84.8 | Confident | 83.9 | Confident | 78 Ų | 78 | 68.5 Ų | 68.5 | 51% | 0.506 | 38% | 0.376 | S | S | . | . | trans | -66 | 160.8 | 172.1 | 29.6 | -35.6 | 0 | 0 | 0 | 111.5 | E1238 T1243 | E1238-P1241 WeakPolarHBondContact OE1-CA 3.31Å; E1238-P1241 VanDerWaalsContact OE1-CB 3.27Å; E1238-P1241 WeakPolarHBondContact OE1-CB 3.3Å; P1241-T1243 PolarHBondContact O-N 2.99Å | ||
| 1242 | C | 84 | Confident | 84.3 | Confident | 35.8 Ų | 35.8 | 68.3 Ų | 68.3 | 24% | 0.242 | 38% | 0.378 | C | S | . | . | trans | -61.7 | 135.2 | 170.5 | -169.8 | 0 | 0 | 0 | 0 | 110.2 | C1228 S1246 R1248 | C1228-C1242 HydrophobicContact CB-CB 3.64Å; C1228-C1242 WeakPolarHBondContact CB-SG 3.37Å; C1228-C1242 WeakPolarHBondContact SG-CB 3.32Å; C1228-C1242 CovalentContact SG-SG 2.03Å; C1228-C1242 PolarHBondContact SG-SG 3.11Å; C1242-S1246 PolarHBondContact SG-O 3.17Å; C1242-S1246 VanDerWaalsContact SG-O 3.42Å; C1242-R1248 HydrophobicContact CB-CB 4.41Å | ||
| 1243 | T | 82.3 | Confident | 84.4 | Confident | 62.8 Ų | 62.8 | 69.3 Ų | 69.3 | 39% | 0.385 | 39% | 0.385 | S | S | . | . | B | Isolated β-bridge | trans | -118.7 | 172.1 | 177.7 | 77.4 | 0 | 0 | 0 | 0 | 110 | W1212 P1241 H1245 S1246 | W1212-T1243 VanDerWaalsContact CB-O 3.23Å; W1212-T1243 WeakPolarHBondContact CB-O 3.39Å; P1241-T1243 PolarHBondContact O-N 2.99Å; T1243-H1245 PolarHBondContact O-N 3.11Å; T1243-H1245 VanDerWaalsContact O-N 3.13Å; T1243-H1245 PolarHBondContact OG1-N 2.87Å; T1243-H1245 VanDerWaalsContact OG1-N 3.17Å; T1243-S1246 PolarHBondContact N-O 3.14Å; T1243-S1246 PolarHBondContact O-N 3.26Å; T1243-S1246 VanDerWaalsContact O-O 3.07Å; T1243-S1246 PolarHBondContact OG1-N 3.13Å; T1243-S1246 VanDerWaalsContact OG1-N 3.11Å; T1243-S1246 PolarHBondContact OG1-OG 3.07Å |
| 1244 | Q | 77.3 | Confident | 84.6 | Confident | 78 Ų | 78 | 70.4 Ų | 70.4 | 36% | 0.364 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -19.3 | 175.3 | -83.6 | 175.6 | -13.8 | 0 | 0 | 113.2 | N1206 W1212 M1213 | N1206-Q1244 PolarHBondContact ND2-NE2 3.18Å; N1206-Q1244 VanDerWaalsContact ND2-NE2 3.11Å; N1206-Q1244 PolarHBondContact ND2-OE1 2.89Å; W1212-Q1244 WeakPolarHBondContact CA-O 3.29Å; M1213-Q1244 WeakPolarHBondContact CB-O 3.19Å; M1213-Q1244 WeakPolarHBondContact CE-O 3.44Å; M1213-Q1244 HydrophobicContact CG-CG 4.19Å; M1213-Q1244 VanDerWaalsContact CG-O 3.29Å; M1213-Q1244 WeakPolarHBondContact CG-O 3.29Å; M1213-Q1244 PolarHBondContact N-O 2.91Å; M1213-Q1244 HydrophobicContact SD-CG 3.73Å; M1213-Q1244 PolarHBondContact SD-NE2 3.3Å; M1213-Q1244 VanDerWaalsContact SD-NE2 3.37Å |
| 1245 | H | 78.1 | Confident | 84.8 | Confident | 124.2 Ų | 124.2 | 68.8 Ų | 68.8 | 58% | 0.575 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.6 | 1.8 | -175.3 | -52.6 | -67.2 | 0 | 0 | 0 | 114 | M1213 T1243 | M1213-H1245 HydrophobicContact CE-CB 4.34Å; M1213-H1245 WeakPolarHBondContact CE-CE1 3.11Å; M1213-H1245 WeakPolarHBondContact CE-ND1 3.42Å; M1213-H1245 HydrophobicContact CG-CB 4.47Å; M1213-H1245 HydrophobicContact SD-CB 4.23Å; M1213-H1245 PolarHBondContact SD-CE1 3.2Å; M1213-H1245 PolarHBondContact SD-ND1 3.22Å; M1213-H1245 VanDerWaalsContact SD-ND1 3.38Å; T1243-H1245 PolarHBondContact O-N 3.11Å; T1243-H1245 VanDerWaalsContact O-N 3.13Å; T1243-H1245 PolarHBondContact OG1-N 2.87Å; T1243-H1245 VanDerWaalsContact OG1-N 3.17Å |
| 1246 | S | 82.4 | Confident | 85 | Confident | 41.4 Ų | 41.4 | 72 Ų | 72 | 29% | 0.29 | 37% | 0.374 | S | S | . | . | B | Isolated β-bridge | trans | -156.6 | 144.2 | 179.9 | 71.6 | 0 | 0 | 0 | 0 | 111.5 | C1242 T1243 | C1242-S1246 PolarHBondContact SG-O 3.17Å; C1242-S1246 VanDerWaalsContact SG-O 3.42Å; T1243-S1246 PolarHBondContact N-O 3.14Å; T1243-S1246 PolarHBondContact O-N 3.26Å; T1243-S1246 VanDerWaalsContact O-O 3.07Å; T1243-S1246 PolarHBondContact OG1-N 3.13Å; T1243-S1246 VanDerWaalsContact OG1-N 3.11Å; T1243-S1246 PolarHBondContact OG1-OG 3.07Å |
| 1247 | D | 84.1 | Confident | 84.8 | Confident | 37 Ų | 37 | 70.3 Ų | 70.3 | 20% | 0.198 | 37% | 0.368 | C | S | . | . | trans | -64 | 171.4 | 166 | -153.9 | -5.7 | 0 | 0 | 0 | 111.6 | W1212 C1228 S1229 V1249 | W1212-D1247 HydrophobicContact CD2-CB 4.16Å; W1212-D1247 HydrophobicContact CG-CB 4.28Å; W1212-D1247 HydrophobicContact CZ2-CB 4.24Å; W1212-D1247 VanDerWaalsContact NE1-CG 3.35Å; W1212-D1247 PolarHBondContact NE1-OD2 3.28Å; C1228-D1247 VanDerWaalsContact CA-OD1 3.31Å; C1228-D1247 WeakPolarHBondContact CA-OD1 3.37Å; S1229-D1247 VanDerWaalsContact CB-OD2 3.27Å; S1229-D1247 WeakPolarHBondContact CB-OD2 3.32Å; S1229-D1247 PolarHBondContact N-OD1 2.9Å; S1229-D1247 PolarHBondContact N-OD2 2.86Å; S1229-D1247 PolarHBondContact OG-OD1 3.01Å; S1229-D1247 PolarHBondContact OG-OD2 3.16Å; D1247-V1249 PolarHBondContact O-N 2.62Å | ||
| 1248 | R | 84.9 | Confident | 84.7 | Confident | 52.6 Ų | 52.6 | 73.7 Ų | 73.7 | 20% | 0.198 | 39% | 0.388 | C | S | . | . | trans | -55.6 | 136.3 | 169.5 | 147.2 | -177.1 | -10.5 | -128 | 0.6 | 110.4 | S1229 T1230 E1238 K1240 C1242 C1250 | S1229-R1248 VanDerWaalsContact O-CZ 3.26Å; S1229-R1248 PolarHBondContact O-NE 3.15Å; S1229-R1248 VanDerWaalsContact O-NE 3.17Å; S1229-R1248 PolarHBondContact O-NH2 3.03Å; S1229-R1248 WeakPolarHBondContact OG-CB 3.45Å; T1230-R1248 PolarHBondContact O-NH2 3.05Å; T1230-R1248 VanDerWaalsContact O-NH2 3.11Å; E1238-R1248 HydrophobicContact CB-CG 4.49Å; E1238-R1248 HydrophobicContact CG-CG 3.89Å; E1238-R1248 IonicContact OE1-NH1 3.85Å; E1238-R1248 VanDerWaalsContact OE2-CD 3.28Å; E1238-R1248 WeakPolarHBondContact OE2-CD 3.39Å; E1238-R1248 IonicContact OE2-CZ 3.45Å; E1238-R1248 VanDerWaalsContact OE2-CZ 3.27Å; E1238-R1248 IonicContact OE2-NE 3.58Å; E1238-R1248 PolarHBondContact OE2-NE 3.45Å; E1238-R1248 IonicContact OE2-NH1 3.29Å; E1238-R1248 PolarHBondContact OE2-NH1 3.12Å; E1238-R1248 IonicContact OE2-NH2 3.54Å; K1240-R1248 CarbonylContact O-C 3.6Å; K1240-R1248 WeakPolarHBondContact O-CA 3.2Å; K1240-R1248 WeakPolarHBondContact O-CG 3.34Å; C1242-R1248 HydrophobicContact CB-CB 4.41Å; R1248-C1250 PolarHBondContact O-N 2.04Å | ||
| 1249 | V | 88.5 | Confident | 84.4 | Confident | 61 Ų | 61 | 75.8 Ų | 75.8 | 37% | 0.37 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 114 | 174.2 | -175.7 | 0 | 0 | 0 | 0 | 108.7 | Y1239 K1240 D1247 | Y1239-V1249 WeakPolarHBondContact CA-O 3.3Å; Y1239-V1249 WeakPolarHBondContact CB-O 3.25Å; Y1239-V1249 HydrophobicContact CD1-CG1 4.29Å; Y1239-V1249 PolarHBondContact N-O 3.04Å; K1240-V1249 HydrophobicContact CB-CB 4.04Å; K1240-V1249 HydrophobicContact CB-CG2 4.19Å; K1240-V1249 HydrophobicContact CD-CG2 4.45Å; K1240-V1249 HydrophobicContact CG-CB 4.46Å; K1240-V1249 PolarHBondContact N-O 3.35Å; K1240-V1249 VanDerWaalsContact N-O 3.12Å; K1240-V1249 PolarHBondContact O-N 2.89Å; D1247-V1249 PolarHBondContact O-N 2.62Å |
| 1250 | C | 89.4 | Confident | 84.1 | Confident | 34.4 Ų | 34.4 | 76.3 Ų | 76.3 | 23% | 0.232 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 146.5 | 175.4 | -58.6 | 0 | 0 | 0 | 0 | 111 | C1232 M1236 Y1237 R1248 | C1232-C1250 WeakPolarHBondContact CA-SG 3.33Å; C1232-C1250 HydrophobicContact CB-CB 3.83Å; C1232-C1250 WeakPolarHBondContact CB-SG 3.27Å; C1232-C1250 WeakPolarHBondContact SG-CB 3.33Å; C1232-C1250 CovalentContact SG-SG 2.04Å; C1232-C1250 PolarHBondContact SG-SG 2.95Å; M1236-C1250 HydrophobicContact CB-CB 4.12Å; M1236-C1250 HydrophobicContact CE-CB 4.06Å; M1236-C1250 WeakPolarHBondContact CE-O 3.35Å; M1236-C1250 HydrophobicContact SD-CB 4.15Å; Y1237-C1250 CarbonylContact O-C 3.44Å; Y1237-C1250 VanDerWaalsContact O-CA 3.31Å; Y1237-C1250 WeakPolarHBondContact O-CA 3.34Å; R1248-C1250 PolarHBondContact O-N 2.04Å |
| 1251 | R | 88.9 | Confident | 84.1 | Confident | 118.6 Ų | 118.6 | 72.4 Ų | 72.4 | 45% | 0.448 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 150.2 | 170.8 | -78.2 | -173.2 | 173.2 | -179.3 | -3.8 | 110.7 | M1236 Y1237 Y1239 | M1236-R1251 CarbonylContact C-O 3.55Å; M1236-R1251 WeakPolarHBondContact CA-O 3.28Å; M1236-R1251 WeakPolarHBondContact CB-O 3.31Å; M1236-R1251 VanDerWaalsContact SD-C 3.59Å; Y1237-R1251 HydrophobicContact CD1-CB 4.4Å; Y1237-R1251 VanDerWaalsContact CD1-O 3.27Å; Y1237-R1251 WeakPolarHBondContact CD1-O 3.36Å; Y1237-R1251 HydrophobicContact CE1-CB 3.78Å; Y1237-R1251 PolarHBondContact N-O 2.74Å; Y1237-R1251 PolarHBondContact O-N 3.17Å; Y1239-R1251 HydrophobicContact CD1-CG 4.29Å; Y1239-R1251 VanDerWaalsContact CD1-NE 3.32Å; Y1239-R1251 VanDerWaalsContact CE1-CZ 3.47Å; Y1239-R1251 VanDerWaalsContact CE1-NH2 3.32Å; Y1239-R1251 VanDerWaalsContact CE2-NH1 3.32Å; Y1239-R1251 VanDerWaalsContact CG-CD 3.49Å; Y1239-R1251 HydrophobicContact CG-CG 3.97Å; Y1239-R1251 VanDerWaalsContact CZ-CZ 3.43Å; Y1239-R1251 VanDerWaalsContact CZ-NH1 3.29Å; Y1239-R1251 PolarHBondContact OH-NH1 3.11Å |
| 1252 | A | 88.1 | Confident | 83.8 | Confident | 71 Ų | 71 | 70.3 Ų | 70.3 | 59% | 0.587 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 141.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | M1236 Y1237 | M1236-A1252 WeakPolarHBondContact SD-CA 3.15Å; M1236-A1252 HydrophobicContact SD-CB 3.79Å; M1236-A1252 PolarHBondContact SD-N 3.28Å; Y1237-A1252 VanDerWaalsContact CE1-O 3.29Å; Y1237-A1252 WeakPolarHBondContact CE1-O 3.4Å |
| 1253 | C | 87.2 | Confident | 83.8 | Confident | 29.4 Ų | 29.4 | 71.2 Ų | 71.2 | 20% | 0.199 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 154.5 | 174.8 | -65 | 0 | 0 | 0 | 0 | 112.3 | G1235 C1267 N1272 | G1235-C1253 WeakPolarHBondContact O-CB 3.45Å; G1235-C1253 PolarHBondContact O-N 3.12Å; G1235-C1253 PolarHBondContact O-SG 2.92Å; C1253-C1267 HydrophobicContact CB-CB 3.7Å; C1253-C1267 WeakPolarHBondContact CB-SG 3.17Å; C1253-C1267 WeakPolarHBondContact SG-CB 3.31Å; C1253-C1267 CovalentContact SG-SG 2.02Å; C1253-C1267 PolarHBondContact SG-SG 3.01Å; C1253-N1272 WeakPolarHBondContact CA-OD1 3.25Å |
| 1254 | R | 86.6 | Confident | 83.7 | Confident | 96 Ų | 96 | 71.4 Ų | 71.4 | 36% | 0.362 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -57 | 139.7 | 161.6 | -176.4 | -178.3 | 169.6 | 162.6 | -5.7 | 108.8 | E1261 N1272 R1273 C1275 | R1254-E1261 IonicContact CZ-OE1 3.16Å; R1254-E1261 IonicContact CZ-OE2 3.39Å; R1254-E1261 IonicContact NH1-OE1 2.99Å; R1254-E1261 PolarHBondContact NH1-OE1 2.69Å; R1254-E1261 VanDerWaalsContact NH1-OE1 3.16Å; R1254-E1261 IonicContact NH1-OE2 3.81Å; R1254-E1261 VanDerWaalsContact NH2-CD 3.31Å; R1254-E1261 IonicContact NH2-OE1 3.12Å; R1254-E1261 PolarHBondContact NH2-OE1 3.13Å; R1254-E1261 IonicContact NH2-OE2 3.35Å; R1254-E1261 PolarHBondContact NH2-OE2 3.03Å; R1254-N1272 PolarHBondContact N-OD1 3.07Å; R1254-R1273 HydrophobicContact CB-CB 4.28Å; R1254-R1273 HydrophobicContact CB-CG 4.42Å; R1254-R1273 PolarHBondContact O-NH1 3.01Å; R1254-C1275 PolarHBondContact NE-SG 3.28Å |
| 1255 | P | 84.6 | Confident | 84 | Confident | 101.8 Ų | 101.8 | 68.7 Ų | 68.7 | 66% | 0.661 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 169.4 | 169.8 | -7.6 | 9 | 0 | 0 | 0 | 112.6 | R1273 | P1255-R1273 VanDerWaalsContact C-NH1 3.27Å; P1255-R1273 WeakPolarHBondContact O-CD 3.46Å; P1255-R1273 PolarHBondContact O-NH1 3.09Å |
| 1256 | L | 83 | Confident | 84.2 | Confident | 118.2 Ų | 118.2 | 64.7 Ų | 64.7 | 62% | 0.619 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 147.7 | 175.9 | -74.4 | 161.8 | 0 | 0 | 0 | 111.3 | R1273 | L1256-R1273 VanDerWaalsContact CD2-NH2 3.29Š|
| 1257 | C | 84.8 | Confident | 84.3 | Confident | 28.6 Ų | 28.6 | 64.2 Ų | 64.2 | 19% | 0.193 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 140.6 | 178.3 | -55.2 | 0 | 0 | 0 | 0 | 110 | E1261 C1275 | C1257-E1261 HydrophobicContact CB-CB 3.87Å; C1257-C1275 WeakPolarHBondContact CA-SG 3.32Å; C1257-C1275 HydrophobicContact CB-CB 3.75Å; C1257-C1275 WeakPolarHBondContact CB-SG 3.29Å; C1257-C1275 VanDerWaalsContact SG-CA 3.59Å; C1257-C1275 WeakPolarHBondContact SG-CB 3.3Å; C1257-C1275 CovalentContact SG-SG 2.04Å; C1257-C1275 PolarHBondContact SG-SG 2.96Å |
| 1258 | I | 84.4 | Confident | 84 | Confident | 106.4 Ų | 106.4 | 67.3 Ų | 67.3 | 55% | 0.546 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 168.2 | 179.7 | 60.5 | 170.6 | 0 | 0 | 0 | 111.2 | E1260 E1261 | I1258-E1260 VanDerWaalsContact C-N 3.25Å; I1258-E1260 HydrophobicContact CD1-CB 4.46Å; I1258-E1260 PolarHBondContact O-N 3.19Å; I1258-E1260 VanDerWaalsContact O-N 3.11Å; I1258-E1261 HydrophobicContact CD1-CG 4.45Å; I1258-E1261 HydrophobicContact CG1-CB 4.21Å; I1258-E1261 HydrophobicContact CG1-CG 3.82Å; I1258-E1261 PolarHBondContact N-OE2 3.08Å; I1258-E1261 CarbonylContact O-C 3.57Å; I1258-E1261 WeakPolarHBondContact O-CA 3.35Å; I1258-E1261 WeakPolarHBondContact O-CB 3.31Å; I1258-E1261 PolarHBondContact O-N 3.09Å; I1258-E1261 VanDerWaalsContact O-O 3.06Å |
| 1259 | S | 78.2 | Confident | 83.6 | Confident | 99.6 Ų | 99.6 | 66.4 Ų | 66.4 | 70% | 0.697 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -25.9 | -176.4 | 13.5 | 0 | 0 | 0 | 0 | 115.2 | E1261 K1278 | S1259-E1261 VanDerWaalsContact C-N 3.31Å; S1259-E1261 PolarHBondContact O-N 3.03Å; S1259-K1278 WeakPolarHBondContact O-CD 3.23Å; S1259-K1278 VanDerWaalsContact O-CE 3.26Å; S1259-K1278 WeakPolarHBondContact O-CE 3.31Å; S1259-K1278 PolarHBondContact O-NZ 3.01Å |
| 1260 | E | 80.2 | Confident | 83.1 | Confident | 113.4 Ų | 113.4 | 67 Ų | 67 | 53% | 0.53 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -11 | 173.5 | -72.1 | -172 | -154.5 | 0 | 0 | 114.4 | I1258 R1277 K1278 | I1258-E1260 VanDerWaalsContact C-N 3.25Å; I1258-E1260 HydrophobicContact CD1-CB 4.46Å; I1258-E1260 PolarHBondContact O-N 3.19Å; I1258-E1260 VanDerWaalsContact O-N 3.11Å; E1260-R1277 CarbonylContact O-C 3.52Å; E1260-R1277 WeakPolarHBondContact O-CA 3.31Å; E1260-R1277 IonicContact OE2-CZ 3.29Å; E1260-R1277 IonicContact OE2-NE 3.6Å; E1260-R1277 PolarHBondContact OE2-NE 3.1Å; E1260-R1277 IonicContact OE2-NH2 3.55Å; E1260-R1277 PolarHBondContact OE2-NH2 3.23Å; E1260-K1278 WeakPolarHBondContact O-CG 3.22Å; E1260-K1278 PolarHBondContact O-N 2.7Å |
| 1261 | E | 83.8 | Confident | 82.7 | Confident | 31.8 Ų | 31.8 | 67.3 Ų | 67.3 | 15% | 0.149 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 160.8 | -177 | -68 | -178.6 | 137.6 | 0 | 0 | 112.3 | R1254 C1257 I1258 S1259 C1275 K1276 R1277 K1278 | R1254-E1261 IonicContact CZ-OE1 3.16Å; R1254-E1261 IonicContact CZ-OE2 3.39Å; R1254-E1261 IonicContact NH1-OE1 2.99Å; R1254-E1261 PolarHBondContact NH1-OE1 2.69Å; R1254-E1261 VanDerWaalsContact NH1-OE1 3.16Å; R1254-E1261 IonicContact NH1-OE2 3.81Å; R1254-E1261 VanDerWaalsContact NH2-CD 3.31Å; R1254-E1261 IonicContact NH2-OE1 3.12Å; R1254-E1261 PolarHBondContact NH2-OE1 3.13Å; R1254-E1261 IonicContact NH2-OE2 3.35Å; R1254-E1261 PolarHBondContact NH2-OE2 3.03Å; C1257-E1261 HydrophobicContact CB-CB 3.87Å; I1258-E1261 HydrophobicContact CD1-CG 4.45Å; I1258-E1261 HydrophobicContact CG1-CB 4.21Å; I1258-E1261 HydrophobicContact CG1-CG 3.82Å; I1258-E1261 PolarHBondContact N-OE2 3.08Å; I1258-E1261 CarbonylContact O-C 3.57Å; I1258-E1261 WeakPolarHBondContact O-CA 3.35Å; I1258-E1261 WeakPolarHBondContact O-CB 3.31Å; I1258-E1261 PolarHBondContact O-N 3.09Å; I1258-E1261 VanDerWaalsContact O-O 3.06Å; S1259-E1261 VanDerWaalsContact C-N 3.31Å; S1259-E1261 PolarHBondContact O-N 3.03Å; E1261-C1275 HydrophobicContact CB-CB 4.04Å; E1261-C1275 VanDerWaalsContact CD-CB 3.41Å; E1261-C1275 HydrophobicContact CG-CB 4.24Å; E1261-C1275 WeakPolarHBondContact OE1-CB 3.33Å; E1261-C1275 VanDerWaalsContact OE2-CB 3.25Å; E1261-C1275 WeakPolarHBondContact OE2-CB 3.24Å; E1261-K1276 CarbonylContact C-O 3.45Å; E1261-K1276 WeakPolarHBondContact CA-O 3.2Å; E1261-K1276 WeakPolarHBondContact CB-O 3.3Å; E1261-R1277 HydrophobicContact CG-CG 4.43Å; E1261-K1278 VanDerWaalsContact O-CE 3.24Å; E1261-K1278 WeakPolarHBondContact O-CE 3.35Å |
| 1262 | F | 79.9 | Confident | 82.6 | Confident | 34 Ų | 34 | 63.9 Ų | 63.9 | 15% | 0.149 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 153.9 | 166.2 | 74.5 | -84.4 | 0 | 0 | 0 | 110.5 | L1264 C1275 K1276 R1277 K1278 L1280 I1281 L2014 I2033 P2034 | F1262-L1264 HydrophobicContact CE2-CB 4.29Å; F1262-L1264 HydrophobicContact CE2-CD1 4.08Å; F1262-L1264 HydrophobicContact CZ-CD1 4.26Å; F1262-L1264 PolarHBondContact O-N 3.25Å; F1262-C1275 CarbonylContact O-C 3.55Å; F1262-C1275 VanDerWaalsContact O-CA 3.3Å; F1262-C1275 WeakPolarHBondContact O-CA 3.27Å; F1262-K1276 HydrophobicContact CD1-CB 4.23Å; F1262-K1276 VanDerWaalsContact CD1-O 3.27Å; F1262-K1276 WeakPolarHBondContact CD1-O 3.37Å; F1262-K1276 HydrophobicContact CE1-CB 3.69Å; F1262-K1276 HydrophobicContact CZ-CB 3.97Å; F1262-K1276 PolarHBondContact N-O 2.91Å; F1262-K1276 PolarHBondContact O-N 3.15Å; F1262-R1277 WeakPolarHBondContact CD1-O 3.13Å; F1262-R1277 VanDerWaalsContact CE1-O 3.28Å; F1262-R1277 WeakPolarHBondContact CE1-O 3.24Å; F1262-K1278 HydrophobicContact CB-CG 4.39Å; F1262-K1278 HydrophobicContact CD1-CG 4.42Å; F1262-L1280 HydrophobicContact CE1-CB 4.49Å; F1262-I1281 HydrophobicContact CB-CD1 4.25Å; F1262-I1281 HydrophobicContact CD1-CD1 3.88Å; F1262-I1281 HydrophobicContact CD1-CG1 3.78Å; F1262-I1281 VanDerWaalsContact CD1-CG1 3.45Å; F1262-I1281 HydrophobicContact CD2-CG1 4.35Å; F1262-I1281 HydrophobicContact CE1-CB 4.46Å; F1262-I1281 HydrophobicContact CE1-CD1 4.19Å; F1262-I1281 HydrophobicContact CE1-CG1 3.58Å; F1262-I1281 VanDerWaalsContact CE1-CG1 3.42Å; F1262-I1281 HydrophobicContact CE2-CG1 4.37Å; F1262-I1281 HydrophobicContact CG-CD1 4.2Å; F1262-I1281 HydrophobicContact CG-CG1 3.97Å; F1262-I1281 HydrophobicContact CZ-CG1 4.06Å; F1262-L2014 HydrophobicContact CB-CD2 3.52Å; F1262-L2014 HydrophobicContact CG-CD2 4.2Å; F1262-I2033 HydrophobicContact CE2-CG2 3.92Å; F1262-I2033 HydrophobicContact CZ-CG2 4.38Å; F1262-P2034 HydrophobicContact CZ-CB 4.12Å; F1262-P2034 HydrophobicContact CZ-CG 4.03Å |
| 1263 | E | 83.3 | Confident | 82.6 | Confident | 54.4 Ų | 54.4 | 62.4 Ų | 62.4 | 25% | 0.254 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 106 | 176.8 | -168.9 | 177.9 | 99.5 | 0 | 0 | 110.3 | S1265 P1266 R1273 K2044 | E1263-S1265 VanDerWaalsContact CG-O 3.31Å; E1263-S1265 WeakPolarHBondContact CG-O 3.34Å; E1263-P1266 VanDerWaalsContact CD-CA 3.44Å; E1263-P1266 VanDerWaalsContact OE1-CA 3.29Å; E1263-P1266 WeakPolarHBondContact OE1-CA 3.32Å; E1263-P1266 VanDerWaalsContact OE1-CB 3.27Å; E1263-P1266 WeakPolarHBondContact OE1-CB 3.29Å; E1263-R1273 HydrophobicContact CG-CG 4.32Å; E1263-R1273 IonicContact OE2-CZ 2.99Å; E1263-R1273 IonicContact OE2-NE 3.51Å; E1263-R1273 PolarHBondContact OE2-NE 2.82Å; E1263-R1273 IonicContact OE2-NH2 3.24Å; E1263-R1273 PolarHBondContact OE2-NH2 2.84Å; E1263-R1273 VanDerWaalsContact OE2-NH2 3.16Å; E1263-K2044 PolarHBondContact O-NZ 2.87Å |
| 1264 | L | 81 | Confident | 82.6 | Confident | 67.2 Ų | 67.2 | 64.9 Ų | 64.9 | 35% | 0.352 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | -38.1 | 175.4 | -179.3 | 69.1 | 0 | 0 | 0 | 111.2 | F1262 I1274 K1276 P2034 Y2042 | F1262-L1264 HydrophobicContact CE2-CB 4.29Å; F1262-L1264 HydrophobicContact CE2-CD1 4.08Å; F1262-L1264 HydrophobicContact CZ-CD1 4.26Å; F1262-L1264 PolarHBondContact O-N 3.25Å; L1264-I1274 HydrophobicContact CB-CB 4.48Å; L1264-I1274 HydrophobicContact CB-CG2 4.33Å; L1264-I1274 VanDerWaalsContact CB-O 3.31Å; L1264-I1274 WeakPolarHBondContact CB-O 3.35Å; L1264-I1274 HydrophobicContact CD2-CG2 4.12Å; L1264-I1274 PolarHBondContact N-O 2.85Å; L1264-K1276 HydrophobicContact CB-CG 4.2Å; L1264-K1276 HydrophobicContact CD2-CG 3.9Å; L1264-P2034 HydrophobicContact CD1-CB 4.48Å; L1264-P2034 WeakPolarHBondContact CD1-O 3.49Å; L1264-Y2042 PolarHBondContact O-OH 2.93Å; L1264-Y2042 VanDerWaalsContact O-OH 3.11Å |
| 1265 | S | 81.7 | Confident | 82.7 | Confident | 21.6 Ų | 21.6 | 60.8 Ų | 60.8 | 15% | 0.151 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 134.2 | 172 | 66.4 | 0 | 0 | 0 | 0 | 111.2 | E1263 N1272 R1273 I1274 Y2042 | E1263-S1265 VanDerWaalsContact CG-O 3.31Å; E1263-S1265 WeakPolarHBondContact CG-O 3.34Å; S1265-N1272 PolarHBondContact OG-O 2.95Å; S1265-R1273 VanDerWaalsContact O-CA 3.31Å; S1265-R1273 WeakPolarHBondContact O-CA 3.24Å; S1265-I1274 PolarHBondContact N-O 2.81Å; S1265-I1274 PolarHBondContact O-N 3.07Å; S1265-I1274 VanDerWaalsContact O-N 3.1Å; S1265-I1274 VanDerWaalsContact OG-CB 3.3Å; S1265-I1274 WeakPolarHBondContact OG-CB 3.38Å; S1265-I1274 VanDerWaalsContact OG-CG1 3.3Å; S1265-I1274 WeakPolarHBondContact OG-CG1 3.4Å; S1265-I1274 PolarHBondContact OG-N 3Å; S1265-Y2042 WeakPolarHBondContact CB-OH 3.29Å |
| 1266 | P | 83.2 | Confident | 82.7 | Confident | 39.8 Ų | 39.8 | 60.5 Ų | 60.5 | 26% | 0.258 | 33% | 0.333 | S | S | . | . | trans | -66.7 | 157.8 | 174.6 | 28.3 | -34.6 | 0 | 0 | 0 | 111.2 | E1263 K1268 Y2042 | E1263-P1266 VanDerWaalsContact CD-CA 3.44Å; E1263-P1266 VanDerWaalsContact OE1-CA 3.29Å; E1263-P1266 WeakPolarHBondContact OE1-CA 3.32Å; E1263-P1266 VanDerWaalsContact OE1-CB 3.27Å; E1263-P1266 WeakPolarHBondContact OE1-CB 3.29Å; P1266-K1268 HydrophobicContact CG-CG 4.36Å; P1266-K1268 PolarHBondContact O-N 3.11Å; P1266-Y2042 VanDerWaalsContact CD-CE2 3.48Å; P1266-Y2042 HydrophobicContact CG-CD1 4.05Å; P1266-Y2042 HydrophobicContact CG-CD2 3.75Å; P1266-Y2042 HydrophobicContact CG-CE1 4.42Å; P1266-Y2042 HydrophobicContact CG-CE2 4.15Å; P1266-Y2042 HydrophobicContact CG-CG 3.69Å | ||
| 1267 | C | 83.6 | Confident | 82.7 | Confident | 30.8 Ų | 30.8 | 61 Ų | 61 | 21% | 0.208 | 33% | 0.327 | C | S | . | . | trans | -69.7 | 123.4 | 166.5 | -165.9 | 0 | 0 | 0 | 0 | 109.2 | C1253 S1271 R1273 | C1253-C1267 HydrophobicContact CB-CB 3.7Å; C1253-C1267 WeakPolarHBondContact CB-SG 3.17Å; C1253-C1267 WeakPolarHBondContact SG-CB 3.31Å; C1253-C1267 CovalentContact SG-SG 2.02Å; C1253-C1267 PolarHBondContact SG-SG 3.01Å; C1267-S1271 WeakPolarHBondContact CA-O 3.31Å; C1267-R1273 HydrophobicContact CB-CB 4.04Å | ||
| 1268 | K | 79 | Confident | 82.3 | Confident | 103.2 Ų | 103.2 | 63.4 Ų | 63.4 | 45% | 0.449 | 33% | 0.334 | S | S | . | . | B | Isolated β-bridge | trans | -124.1 | 162.7 | 173.3 | -66 | -134.4 | -177.3 | -172.3 | 0 | 108.5 | Y1237 P1266 S1270 S1271 | Y1237-K1268 VanDerWaalsContact CB-O 3.28Å; Y1237-K1268 WeakPolarHBondContact CB-O 3.4Å; P1266-K1268 HydrophobicContact CG-CG 4.36Å; P1266-K1268 PolarHBondContact O-N 3.11Å; K1268-S1270 PolarHBondContact O-N 3.12Å; K1268-S1271 PolarHBondContact N-O 3.08Å; K1268-S1271 CarbonylContact O-C 3.3Å; K1268-S1271 PolarHBondContact O-N 3.16Å; K1268-S1271 VanDerWaalsContact O-N 3.07Å |
| 1269 | G | 75.4 | Confident | 81.9 | Confident | 33.4 Ų | 33.4 | 63.2 Ų | 63.2 | 34% | 0.344 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -20.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y1237 E1238 | Y1237-G1269 CarbonylContact C-O 3.13Å; E1238-G1269 VanDerWaalsContact CB-O 3.28Å; E1238-G1269 WeakPolarHBondContact CB-O 3.41Å; E1238-G1269 PolarHBondContact N-O 2.99Å |
| 1270 | S | 78.8 | Confident | 81.8 | Confident | 72.6 Ų | 72.6 | 63.4 Ų | 63.4 | 51% | 0.508 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -17.9 | 176.8 | 56.6 | 0 | 0 | 0 | 0 | 115.6 | K1268 D2041 | K1268-S1270 PolarHBondContact O-N 3.12Å; S1270-D2041 PolarHBondContact OG-OD2 3.36Å |
| 1271 | S | 81.4 | Confident | 81.3 | Confident | 41.2 Ų | 41.2 | 60.9 Ų | 60.9 | 29% | 0.288 | 32% | 0.317 | S | S | . | . | B | Isolated β-bridge | trans | -158.6 | 141.8 | -169.1 | 60.5 | 0 | 0 | 0 | 0 | 113.6 | Y1237 C1267 K1268 | Y1237-S1271 VanDerWaalsContact CB-C 3.49Å; Y1237-S1271 WeakPolarHBondContact CB-O 3.43Å; C1267-S1271 WeakPolarHBondContact CA-O 3.31Å; K1268-S1271 PolarHBondContact N-O 3.08Å; K1268-S1271 CarbonylContact O-C 3.3Å; K1268-S1271 PolarHBondContact O-N 3.16Å; K1268-S1271 VanDerWaalsContact O-N 3.07Å |
| 1272 | N | 87.2 | Confident | 80.5 | Confident | 47 Ų | 47 | 62.8 Ų | 62.8 | 25% | 0.251 | 33% | 0.331 | S | S | . | . | trans | -69.2 | 156 | 177.4 | -161.6 | 5.5 | 0 | 0 | 0 | 112.2 | Y1237 C1253 R1254 S1265 I1274 | Y1237-N1272 HydrophobicContact CD1-CB 3.69Å; Y1237-N1272 HydrophobicContact CD2-CB 3.96Å; Y1237-N1272 HydrophobicContact CE1-CB 3.61Å; Y1237-N1272 VanDerWaalsContact CE1-CG 3.41Å; Y1237-N1272 HydrophobicContact CE2-CB 3.91Å; Y1237-N1272 HydrophobicContact CG-CB 3.87Å; C1253-N1272 WeakPolarHBondContact CA-OD1 3.25Å; R1254-N1272 PolarHBondContact N-OD1 3.07Å; S1265-N1272 PolarHBondContact OG-O 2.95Å; N1272-I1274 PolarHBondContact O-N 3.19Å | ||
| 1273 | R | 87.7 | Confident | 79.8 | Confident | 39.8 Ų | 39.8 | 67.4 Ų | 67.4 | 15% | 0.15 | 35% | 0.353 | C | S | . | . | trans | -60.7 | 127.3 | 168.5 | 166.4 | -179.5 | -77 | 137.1 | -4.1 | 110.4 | R1254 P1255 L1256 E1263 S1265 C1267 E1946 | R1254-R1273 HydrophobicContact CB-CB 4.28Å; R1254-R1273 HydrophobicContact CB-CG 4.42Å; R1254-R1273 PolarHBondContact O-NH1 3.01Å; P1255-R1273 VanDerWaalsContact C-NH1 3.27Å; P1255-R1273 WeakPolarHBondContact O-CD 3.46Å; P1255-R1273 PolarHBondContact O-NH1 3.09Å; L1256-R1273 VanDerWaalsContact CD2-NH2 3.29Å; E1263-R1273 HydrophobicContact CG-CG 4.32Å; E1263-R1273 IonicContact OE2-CZ 2.99Å; E1263-R1273 IonicContact OE2-NE 3.51Å; E1263-R1273 PolarHBondContact OE2-NE 2.82Å; E1263-R1273 IonicContact OE2-NH2 3.24Å; E1263-R1273 PolarHBondContact OE2-NH2 2.84Å; E1263-R1273 VanDerWaalsContact OE2-NH2 3.16Å; S1265-R1273 VanDerWaalsContact O-CA 3.31Å; S1265-R1273 WeakPolarHBondContact O-CA 3.24Å; C1267-R1273 HydrophobicContact CB-CB 4.04Å; R1273-E1946 IonicContact NH2-OE1 3.18Å; R1273-E1946 PolarHBondContact NH2-OE1 3.31Å | ||
| 1274 | I | 87 | Confident | 79.1 | Confident | 81.6 Ų | 81.6 | 68.4 Ų | 68.4 | 42% | 0.418 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 120.2 | 173.6 | -58.3 | 174.7 | 0 | 0 | 0 | 108.5 | L1264 S1265 N1272 | L1264-I1274 HydrophobicContact CB-CB 4.48Å; L1264-I1274 HydrophobicContact CB-CG2 4.33Å; L1264-I1274 VanDerWaalsContact CB-O 3.31Å; L1264-I1274 WeakPolarHBondContact CB-O 3.35Å; L1264-I1274 HydrophobicContact CD2-CG2 4.12Å; L1264-I1274 PolarHBondContact N-O 2.85Å; S1265-I1274 PolarHBondContact N-O 2.81Å; S1265-I1274 PolarHBondContact O-N 3.07Å; S1265-I1274 VanDerWaalsContact O-N 3.1Å; S1265-I1274 VanDerWaalsContact OG-CB 3.3Å; S1265-I1274 WeakPolarHBondContact OG-CB 3.38Å; S1265-I1274 VanDerWaalsContact OG-CG1 3.3Å; S1265-I1274 WeakPolarHBondContact OG-CG1 3.4Å; S1265-I1274 PolarHBondContact OG-N 3Å; N1272-I1274 PolarHBondContact O-N 3.19Å |
| 1275 | C | 87.6 | Confident | 78.4 | Confident | 9.6 Ų | 9.6 | 68.8 Ų | 68.8 | 7% | 0.065 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 145 | 171.9 | -53.3 | 0 | 0 | 0 | 0 | 110.2 | R1254 C1257 E1261 F1262 | R1254-C1275 PolarHBondContact NE-SG 3.28Å; C1257-C1275 WeakPolarHBondContact CA-SG 3.32Å; C1257-C1275 HydrophobicContact CB-CB 3.75Å; C1257-C1275 WeakPolarHBondContact CB-SG 3.29Å; C1257-C1275 VanDerWaalsContact SG-CA 3.59Å; C1257-C1275 WeakPolarHBondContact SG-CB 3.3Å; C1257-C1275 CovalentContact SG-SG 2.04Å; C1257-C1275 PolarHBondContact SG-SG 2.96Å; E1261-C1275 HydrophobicContact CB-CB 4.04Å; E1261-C1275 VanDerWaalsContact CD-CB 3.41Å; E1261-C1275 HydrophobicContact CG-CB 4.24Å; E1261-C1275 WeakPolarHBondContact OE1-CB 3.33Å; E1261-C1275 VanDerWaalsContact OE2-CB 3.25Å; E1261-C1275 WeakPolarHBondContact OE2-CB 3.24Å; F1262-C1275 CarbonylContact O-C 3.55Å; F1262-C1275 VanDerWaalsContact O-CA 3.3Å; F1262-C1275 WeakPolarHBondContact O-CA 3.27Å |
| 1276 | K | 84.5 | Confident | 77.6 | Confident | 96 Ų | 96 | 69.2 Ų | 69.2 | 42% | 0.417 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 150.1 | 172.9 | -74 | -64.1 | -173 | 174.2 | 0 | 109.5 | E1261 F1262 L1264 L1280 | E1261-K1276 CarbonylContact C-O 3.45Å; E1261-K1276 WeakPolarHBondContact CA-O 3.2Å; E1261-K1276 WeakPolarHBondContact CB-O 3.3Å; F1262-K1276 HydrophobicContact CD1-CB 4.23Å; F1262-K1276 VanDerWaalsContact CD1-O 3.27Å; F1262-K1276 WeakPolarHBondContact CD1-O 3.37Å; F1262-K1276 HydrophobicContact CE1-CB 3.69Å; F1262-K1276 HydrophobicContact CZ-CB 3.97Å; F1262-K1276 PolarHBondContact N-O 2.91Å; F1262-K1276 PolarHBondContact O-N 3.15Å; L1264-K1276 HydrophobicContact CB-CG 4.2Å; L1264-K1276 HydrophobicContact CD2-CG 3.9Å; K1276-L1280 HydrophobicContact CB-CD1 4.34Å; K1276-L1280 HydrophobicContact CD-CD1 4.23Å |
| 1277 | R | 83.3 | Confident | 76.5 | Confident | 129.6 Ų | 129.6 | 69.7 Ų | 69.7 | 49% | 0.489 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 146.4 | 176.7 | -64.6 | -169.5 | 74.9 | -147.9 | 12 | 111.2 | E1260 E1261 F1262 D1279 L1280 | E1260-R1277 CarbonylContact O-C 3.52Å; E1260-R1277 WeakPolarHBondContact O-CA 3.31Å; E1260-R1277 IonicContact OE2-CZ 3.29Å; E1260-R1277 IonicContact OE2-NE 3.6Å; E1260-R1277 PolarHBondContact OE2-NE 3.1Å; E1260-R1277 IonicContact OE2-NH2 3.55Å; E1260-R1277 PolarHBondContact OE2-NH2 3.23Å; E1261-R1277 HydrophobicContact CG-CG 4.43Å; F1262-R1277 WeakPolarHBondContact CD1-O 3.13Å; F1262-R1277 VanDerWaalsContact CE1-O 3.28Å; F1262-R1277 WeakPolarHBondContact CE1-O 3.24Å; R1277-D1279 VanDerWaalsContact C-N 3.29Å; R1277-D1279 VanDerWaalsContact C-OD1 3.24Å; R1277-D1279 WeakPolarHBondContact CB-OD1 3.32Å; R1277-D1279 IonicContact CZ-OD1 2.76Å; R1277-D1279 IonicContact CZ-OD2 3.36Å; R1277-D1279 IonicContact NE-OD1 3.65Å; R1277-D1279 PolarHBondContact NE-OD1 3.21Å; R1277-D1279 VanDerWaalsContact NE-OD1 3.09Å; R1277-D1279 IonicContact NE-OD2 3.23Å; R1277-D1279 PolarHBondContact NE-OD2 3.44Å; R1277-D1279 IonicContact NH1-OD2 2.98Å; R1277-D1279 PolarHBondContact NH1-OD2 3.16Å; R1277-D1279 IonicContact NH2-OD1 3.75Å; R1277-D1279 IonicContact NH2-OD2 3.8Å; R1277-D1279 PolarHBondContact NH2-OD2 3.32Å; R1277-D1279 PolarHBondContact O-N 3.07Å; R1277-L1280 WeakPolarHBondContact O-CB 3.36Å; R1277-L1280 PolarHBondContact O-N 3.17Å; R1277-L1280 VanDerWaalsContact O-N 3.11Å |
| 1278 | K | 76.4 | Confident | 75.2 | Confident | 78.2 Ų | 78.2 | 77.2 Ų | 77.2 | 34% | 0.34 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -68.3 | -20 | -176 | -72.5 | 175.9 | -179.9 | 178 | 0 | 114.2 | S1259 E1260 E1261 F1262 L1280 I1281 E2012 L2014 | S1259-K1278 WeakPolarHBondContact O-CD 3.23Å; S1259-K1278 VanDerWaalsContact O-CE 3.26Å; S1259-K1278 WeakPolarHBondContact O-CE 3.31Å; S1259-K1278 PolarHBondContact O-NZ 3.01Å; E1260-K1278 WeakPolarHBondContact O-CG 3.22Å; E1260-K1278 PolarHBondContact O-N 2.7Å; E1261-K1278 VanDerWaalsContact O-CE 3.24Å; E1261-K1278 WeakPolarHBondContact O-CE 3.35Å; F1262-K1278 HydrophobicContact CB-CG 4.39Å; F1262-K1278 HydrophobicContact CD1-CG 4.42Å; K1278-L1280 PolarHBondContact O-N 3.19Å; K1278-I1281 HydrophobicContact CB-CD1 4.19Å; K1278-I1281 HydrophobicContact CG-CD1 4.14Å; K1278-I1281 WeakPolarHBondContact O-CB 3.11Å; K1278-I1281 WeakPolarHBondContact O-CG1 3.41Å; K1278-I1281 PolarHBondContact O-N 2.99Å; K1278-I1281 VanDerWaalsContact O-N 3.13Å; K1278-E2012 IonicContact NZ-OE2 2.82Å; K1278-E2012 PolarHBondContact NZ-OE2 3.38Å; K1278-L2014 HydrophobicContact CG-CD2 4.38Å |
| 1279 | D | 76.3 | Confident | 74.2 | Confident | 103.4 Ų | 103.4 | 78.5 Ų | 78.5 | 55% | 0.553 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -62.9 | -21.5 | 171.8 | 57.2 | -4.9 | 0 | 0 | 0 | 113.6 | R1277 I1281 | R1277-D1279 VanDerWaalsContact C-N 3.29Å; R1277-D1279 VanDerWaalsContact C-OD1 3.24Å; R1277-D1279 WeakPolarHBondContact CB-OD1 3.32Å; R1277-D1279 IonicContact CZ-OD1 2.76Å; R1277-D1279 IonicContact CZ-OD2 3.36Å; R1277-D1279 IonicContact NE-OD1 3.65Å; R1277-D1279 PolarHBondContact NE-OD1 3.21Å; R1277-D1279 VanDerWaalsContact NE-OD1 3.09Å; R1277-D1279 IonicContact NE-OD2 3.23Å; R1277-D1279 PolarHBondContact NE-OD2 3.44Å; R1277-D1279 IonicContact NH1-OD2 2.98Å; R1277-D1279 PolarHBondContact NH1-OD2 3.16Å; R1277-D1279 IonicContact NH2-OD1 3.75Å; R1277-D1279 IonicContact NH2-OD2 3.8Å; R1277-D1279 PolarHBondContact NH2-OD2 3.32Å; R1277-D1279 PolarHBondContact O-N 3.07Å; D1279-I1281 VanDerWaalsContact C-N 3.29Å; D1279-I1281 PolarHBondContact O-N 2.9Å |
| 1280 | L | 75.5 | Confident | 73.6 | Confident | 103 Ų | 103 | 86.8 Ų | 86.8 | 54% | 0.539 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -85.1 | 1 | 176.7 | -63.4 | 172 | 0 | 0 | 0 | 113.9 | F1262 K1276 R1277 K1278 P1282 | F1262-L1280 HydrophobicContact CE1-CB 4.49Å; K1276-L1280 HydrophobicContact CB-CD1 4.34Å; K1276-L1280 HydrophobicContact CD-CD1 4.23Å; R1277-L1280 WeakPolarHBondContact O-CB 3.36Å; R1277-L1280 PolarHBondContact O-N 3.17Å; R1277-L1280 VanDerWaalsContact O-N 3.11Å; K1278-L1280 PolarHBondContact O-N 3.19Å; L1280-P1282 VanDerWaalsContact O-CD 3.31Å; L1280-P1282 WeakPolarHBondContact O-CD 3.29Å |
| 1281 | I | 71.1 | Confident | 73.3 | Confident | 61.2 Ų | 61.2 | 87.2 Ų | 87.2 | 31% | 0.314 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -78.4 | 118.3 | 174 | -58.9 | 173.3 | 0 | 0 | 0 | 107.8 | F1262 K1278 D1279 E1283 L2014 L2015 | F1262-I1281 HydrophobicContact CB-CD1 4.25Å; F1262-I1281 HydrophobicContact CD1-CD1 3.88Å; F1262-I1281 HydrophobicContact CD1-CG1 3.78Å; F1262-I1281 VanDerWaalsContact CD1-CG1 3.45Å; F1262-I1281 HydrophobicContact CD2-CG1 4.35Å; F1262-I1281 HydrophobicContact CE1-CB 4.46Å; F1262-I1281 HydrophobicContact CE1-CD1 4.19Å; F1262-I1281 HydrophobicContact CE1-CG1 3.58Å; F1262-I1281 VanDerWaalsContact CE1-CG1 3.42Å; F1262-I1281 HydrophobicContact CE2-CG1 4.37Å; F1262-I1281 HydrophobicContact CG-CD1 4.2Å; F1262-I1281 HydrophobicContact CG-CG1 3.97Å; F1262-I1281 HydrophobicContact CZ-CG1 4.06Å; K1278-I1281 HydrophobicContact CB-CD1 4.19Å; K1278-I1281 HydrophobicContact CG-CD1 4.14Å; K1278-I1281 WeakPolarHBondContact O-CB 3.11Å; K1278-I1281 WeakPolarHBondContact O-CG1 3.41Å; K1278-I1281 PolarHBondContact O-N 2.99Å; K1278-I1281 VanDerWaalsContact O-N 3.13Å; D1279-I1281 VanDerWaalsContact C-N 3.29Å; D1279-I1281 PolarHBondContact O-N 2.9Å; I1281-E1283 PolarHBondContact O-N 2.9Å; I1281-L2014 HydrophobicContact CD1-CB 4.44Å; I1281-L2014 HydrophobicContact CD1-CD2 4.04Å; I1281-L2015 HydrophobicContact CG2-CD2 3.91Å |
| 1282 | P | 66.5 | Low | 73 | Confident | 71 Ų | 71 | 88 Ų | 88 | 46% | 0.461 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 145.6 | 175.4 | -12 | 20.9 | 0 | 0 | 0 | 111.1 | L1280 L1284 I1886 F1920 L2032 | L1280-P1282 VanDerWaalsContact O-CD 3.31Å; L1280-P1282 WeakPolarHBondContact O-CD 3.29Å; P1282-L1284 PolarHBondContact O-N 3.04Å; P1282-I1886 HydrophobicContact CB-CG2 4.49Å; P1282-F1920 HydrophobicContact CG-CE1 4.09Å; P1282-F1920 HydrophobicContact CG-CZ 4.41Å; P1282-L2032 WeakPolarHBondContact CD-O 3.39Å; P1282-L2032 HydrophobicContact CG-CB 3.69Å; P1282-L2032 HydrophobicContact CG-CD1 4.4Å; P1282-L2032 WeakPolarHBondContact CG-O 3.21Å |
| 1283 | E | 66.2 | Low | 72.6 | Confident | 129.8 Ų | 129.8 | 90.2 Ų | 90.2 | 61% | 0.607 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 148.8 | 171.3 | -137.1 | 178.4 | -167.8 | 0 | 0 | 110.6 | I1281 V1285 K1299 | I1281-E1283 PolarHBondContact O-N 2.9Å; E1283-V1285 VanDerWaalsContact C-N 3.26Å; E1283-V1285 WeakPolarHBondContact O-CG2 3.5Å; E1283-V1285 PolarHBondContact O-N 3.07Å; E1283-K1299 VanDerWaalsContact CD-CE 3.44Å; E1283-K1299 WeakPolarHBondContact OE1-CE 3.41Å; E1283-K1299 IonicContact OE1-NZ 3.32Å; E1283-K1299 PolarHBondContact OE1-NZ 2.29Å; E1283-K1299 IonicContact OE2-NZ 3.44Å; E1283-K1299 PolarHBondContact OE2-NZ 2.62Å |
| 1284 | L | 67 | Low | 72.2 | Confident | 77 Ų | 77 | 91.6 Ų | 91.6 | 40% | 0.403 | 43% | 0.431 | S | S | . | . | trans | -65.5 | 99.4 | -175.5 | -154.6 | 85 | 0 | 0 | 0 | 110.9 | P1282 V1286 F1294 Y2017 V2019 V2029 I2031 | P1282-L1284 PolarHBondContact O-N 3.04Å; L1284-V1286 HydrophobicContact CD2-CG2 4.11Å; L1284-V1286 HydrophobicContact CG-CG2 4.3Å; L1284-V1286 PolarHBondContact O-N 2.84Å; L1284-F1294 HydrophobicContact CB-CD2 4.09Å; L1284-F1294 HydrophobicContact CB-CE2 3.97Å; L1284-F1294 HydrophobicContact CB-CG 4.48Å; L1284-F1294 HydrophobicContact CB-CZ 4.27Å; L1284-F1294 HydrophobicContact CD1-CE2 4.35Å; L1284-F1294 HydrophobicContact CD2-CB 4.07Å; L1284-F1294 HydrophobicContact CD2-CD1 4.32Å; L1284-F1294 HydrophobicContact CD2-CD2 4.2Å; L1284-F1294 HydrophobicContact CD2-CE1 4.35Å; L1284-F1294 HydrophobicContact CD2-CE2 3.96Å; L1284-F1294 HydrophobicContact CD2-CG 3.96Å; L1284-F1294 HydrophobicContact CD2-CZ 3.81Å; L1284-F1294 VanDerWaalsContact O-CZ 3.3Å; L1284-F1294 WeakPolarHBondContact O-CZ 3.34Å; L1284-Y2017 HydrophobicContact CB-CD1 4.49Å; L1284-Y2017 HydrophobicContact CB-CE1 4.09Å; L1284-Y2017 HydrophobicContact CB-CE2 4.25Å; L1284-Y2017 HydrophobicContact CD2-CD1 4.48Å; L1284-Y2017 HydrophobicContact CD2-CG 4.31Å; L1284-Y2017 PolarHBondContact N-OH 3.49Å; L1284-V2019 HydrophobicContact CD2-CG2 4.49Å; L1284-V2029 HydrophobicContact CD1-CG1 3.19Å; L1284-V2029 HydrophobicContact CD2-CG1 3.6Å; L1284-V2029 HydrophobicContact CG-CG1 3.47Å; L1284-V2029 VanDerWaalsContact CG-CG1 3.47Å; L1284-I2031 HydrophobicContact CD1-CG1 3.54Å | ||
| 1285 | V | 67.4 | Low | 72 | Confident | 74.2 Ų | 74.2 | 89 Ų | 89 | 45% | 0.45 | 42% | 0.417 | S | S | . | . | trans | -79.4 | 101 | 174.2 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | E1283 P1287 R2030 L2032 | E1283-V1285 VanDerWaalsContact C-N 3.26Å; E1283-V1285 WeakPolarHBondContact O-CG2 3.5Å; E1283-V1285 PolarHBondContact O-N 3.07Å; V1285-P1287 VanDerWaalsContact O-CD 3.25Å; V1285-P1287 WeakPolarHBondContact O-CD 3.39Å; V1285-P1287 VanDerWaalsContact O-N 3.17Å; V1285-R2030 HydrophobicContact CB-CB 4.12Å; V1285-R2030 HydrophobicContact CB-CG 4.41Å; V1285-R2030 HydrophobicContact CG1-CB 4.48Å; V1285-R2030 PolarHBondContact N-O 3.28Å; V1285-R2030 WeakPolarHBondContact O-CB 3.43Å; V1285-R2030 PolarHBondContact O-N 3.05Å; V1285-L2032 HydrophobicContact CG2-CD1 3.8Å; V1285-L2032 HydrophobicContact CG2-CG 4.3Å | ||
| 1286 | V | 65.3 | Low | 71.7 | Confident | 31.4 Ų | 31.4 | 90.4 Ų | 90.4 | 19% | 0.19 | 42% | 0.424 | C | S | . | . | trans | -83.7 | 109.8 | 170.6 | 180 | 0 | 0 | 0 | 0 | 107.5 | L1284 Y1288 K1289 I1292 F1294 | L1284-V1286 HydrophobicContact CD2-CG2 4.11Å; L1284-V1286 HydrophobicContact CG-CG2 4.3Å; L1284-V1286 PolarHBondContact O-N 2.84Å; V1286-Y1288 VanDerWaalsContact C-N 3.31Å; V1286-Y1288 WeakPolarHBondContact CG1-O 3.39Å; V1286-Y1288 PolarHBondContact O-N 2.83Å; V1286-K1289 WeakPolarHBondContact CG1-O 3.14Å; V1286-I1292 HydrophobicContact CG1-CB 4.05Å; V1286-I1292 HydrophobicContact CG1-CD1 4Å; V1286-I1292 HydrophobicContact CG1-CG1 4.41Å; V1286-I1292 HydrophobicContact CG1-CG2 4.38Å; V1286-I1292 HydrophobicContact CG2-CB 4.3Å; V1286-I1292 HydrophobicContact CG2-CG2 4.37Å; V1286-F1294 HydrophobicContact CB-CB 4.44Å; V1286-F1294 HydrophobicContact CB-CD1 4.3Å; V1286-F1294 HydrophobicContact CG1-CB 4.01Å; V1286-F1294 HydrophobicContact CG2-CB 4.03Å; V1286-F1294 HydrophobicContact CG2-CD1 3.94Å; V1286-F1294 HydrophobicContact CG2-CD2 3.92Å; V1286-F1294 HydrophobicContact CG2-CE1 3.68Å; V1286-F1294 HydrophobicContact CG2-CE2 4.42Å; V1286-F1294 HydrophobicContact CG2-CG 3.73Å; V1286-F1294 HydrophobicContact CG2-CZ 4.26Å | ||
| 1287 | P | 59.3 | Low | 71.6 | Confident | 50.2 Ų | 50.2 | 90.8 Ų | 90.8 | 33% | 0.326 | 42% | 0.422 | S | S | . | . | trans | -69.4 | 119.1 | 179.3 | 19.7 | -21.5 | 0 | 0 | 0 | 109.9 | V1285 K1289 I1292 Q2028 | V1285-P1287 VanDerWaalsContact O-CD 3.25Å; V1285-P1287 WeakPolarHBondContact O-CD 3.39Å; V1285-P1287 VanDerWaalsContact O-N 3.17Å; P1287-K1289 VanDerWaalsContact C-N 3.32Å; P1287-K1289 HydrophobicContact CB-CB 4.26Å; P1287-K1289 HydrophobicContact CB-CD 4.29Å; P1287-K1289 HydrophobicContact CB-CG 4.15Å; P1287-K1289 HydrophobicContact CG-CB 4.4Å; P1287-K1289 HydrophobicContact CG-CD 4.43Å; P1287-K1289 PolarHBondContact O-N 3.02Å; P1287-I1292 HydrophobicContact CG-CD1 4.23Å; P1287-Q2028 WeakPolarHBondContact CD-O 3.23Å; P1287-Q2028 HydrophobicContact CG-CG 4.05Å | ||
| 1288 | Y | 57.2 | Low | 71.5 | Confident | 186.8 Ų | 186.8 | 91.6 Ų | 91.6 | 73% | 0.733 | 43% | 0.43 | S | S | * | . | trans | -63.9 | 56.3 | 173.4 | -64.8 | -79.4 | 0 | 0 | 0 | 113.2 | V1286 R1290 N1291 Y1636 Q2028 | V1286-Y1288 VanDerWaalsContact C-N 3.31Å; V1286-Y1288 WeakPolarHBondContact CG1-O 3.39Å; V1286-Y1288 PolarHBondContact O-N 2.83Å; Y1288-R1290 PolarHBondContact O-N 3.26Å; Y1288-N1291 PolarHBondContact O-N 2.8Å; Y1288-Y1636 WeakPolarHBondContact CE1-OH 3.41Å; Y1288-Y1636 PolarHBondContact OH-OH 3.33Å; Y1288-Q2028 HydrophobicContact CD2-CB 4.31Å | ||
| 1289 | K | 57.7 | Low | 71.7 | Confident | 131 Ų | 131 | 93 Ų | 93 | 57% | 0.57 | 44% | 0.436 | S | S | * | . | trans | -87.4 | 136.5 | 168 | -78.3 | 178.7 | -174.3 | -175.6 | 0 | 110 | V1286 P1287 N1291 I1292 S1889 D1890 | V1286-K1289 WeakPolarHBondContact CG1-O 3.14Å; P1287-K1289 VanDerWaalsContact C-N 3.32Å; P1287-K1289 HydrophobicContact CB-CB 4.26Å; P1287-K1289 HydrophobicContact CB-CD 4.29Å; P1287-K1289 HydrophobicContact CB-CG 4.15Å; P1287-K1289 HydrophobicContact CG-CB 4.4Å; P1287-K1289 HydrophobicContact CG-CD 4.43Å; P1287-K1289 PolarHBondContact O-N 3.02Å; K1289-N1291 VanDerWaalsContact C-N 3.34Å; K1289-N1291 HydrophobicContact CB-CB 4.38Å; K1289-N1291 WeakPolarHBondContact CB-OD1 3.23Å; K1289-N1291 WeakPolarHBondContact CG-OD1 3.4Å; K1289-N1291 PolarHBondContact O-N 3.2Å; K1289-I1292 HydrophobicContact CB-CD1 4.22Å; K1289-I1292 HydrophobicContact CB-CG1 4.31Å; K1289-I1292 HydrophobicContact CD-CD1 4.26Å; K1289-I1292 PolarHBondContact O-N 2.93Å; K1289-I1292 VanDerWaalsContact O-N 3.09Å; K1289-S1889 VanDerWaalsContact CE-OG 3.25Å; K1289-S1889 WeakPolarHBondContact CE-OG 3.31Å; K1289-D1890 WeakPolarHBondContact CE-OD1 3.49Å; K1289-D1890 IonicContact NZ-OD1 3.37Å; K1289-D1890 PolarHBondContact NZ-OD1 3.37Å; K1289-D1890 IonicContact NZ-OD2 3.91Å; K1289-D1890 PolarHBondContact NZ-OD2 2.87Å | ||
| 1290 | R | 62.5 | Low | 72.1 | Confident | 208.2 Ų | 208.2 | 89.1 Ų | 89.1 | 79% | 0.786 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 2.8 | -175.9 | -66.1 | -177.7 | -179.7 | 174.8 | -0 | 114.1 | Y1288 I1292 I1891 F2022 | Y1288-R1290 PolarHBondContact O-N 3.26Å; R1290-I1292 PolarHBondContact O-N 2.99Å; R1290-I1891 PolarHBondContact NH2-O 3.24Å; R1290-F2022 VanDerWaalsContact C-CZ 3.48Å; R1290-F2022 WeakPolarHBondContact O-CE2 3.3Å; R1290-F2022 WeakPolarHBondContact O-CZ 3.3Å |
| 1291 | N | 71.9 | Confident | 72.6 | Confident | 80 Ų | 80 | 90.4 Ų | 90.4 | 43% | 0.428 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | 9.1 | -172.9 | -54 | 14.9 | 0 | 0 | 0 | 114.6 | Y1288 K1289 V2021 F2022 E2024 | Y1288-N1291 PolarHBondContact O-N 2.8Å; K1289-N1291 VanDerWaalsContact C-N 3.34Å; K1289-N1291 HydrophobicContact CB-CB 4.38Å; K1289-N1291 WeakPolarHBondContact CB-OD1 3.23Å; K1289-N1291 WeakPolarHBondContact CG-OD1 3.4Å; K1289-N1291 PolarHBondContact O-N 3.2Å; N1291-V2021 WeakPolarHBondContact O-CA 3.33Å; N1291-F2022 VanDerWaalsContact C-CD1 3.44Å; N1291-F2022 CarbonylContact C-O 3.31Å; N1291-F2022 VanDerWaalsContact CA-O 3.28Å; N1291-F2022 WeakPolarHBondContact CA-O 3.49Å; N1291-F2022 WeakPolarHBondContact CB-O 3.28Å; N1291-F2022 WeakPolarHBondContact O-CD1 3.45Å; N1291-F2022 PolarHBondContact O-N 3.26Å; N1291-F2022 VanDerWaalsContact O-O 3.13Å; N1291-E2024 WeakPolarHBondContact ND2-CB 3.25Å; N1291-E2024 WeakPolarHBondContact ND2-CG 3.04Å; N1291-E2024 PolarHBondContact ND2-OE2 2.93Å; N1291-E2024 VanDerWaalsContact ND2-OE2 3.12Å |
| 1292 | I | 75.8 | Confident | 73.2 | Confident | 58.2 Ų | 58.2 | 94.5 Ų | 94.5 | 30% | 0.298 | 44% | 0.437 | S | S | . | . | trans | -126.1 | 125.4 | 179.9 | -57.6 | 175 | 0 | 0 | 0 | 110.2 | V1286 P1287 K1289 R1290 V2019 G2020 F2027 Q2028 V2029 | V1286-I1292 HydrophobicContact CG1-CB 4.05Å; V1286-I1292 HydrophobicContact CG1-CD1 4Å; V1286-I1292 HydrophobicContact CG1-CG1 4.41Å; V1286-I1292 HydrophobicContact CG1-CG2 4.38Å; V1286-I1292 HydrophobicContact CG2-CB 4.3Å; V1286-I1292 HydrophobicContact CG2-CG2 4.37Å; P1287-I1292 HydrophobicContact CG-CD1 4.23Å; K1289-I1292 HydrophobicContact CB-CD1 4.22Å; K1289-I1292 HydrophobicContact CB-CG1 4.31Å; K1289-I1292 HydrophobicContact CD-CD1 4.26Å; K1289-I1292 PolarHBondContact O-N 2.93Å; K1289-I1292 VanDerWaalsContact O-N 3.09Å; R1290-I1292 PolarHBondContact O-N 2.99Å; I1292-V2019 HydrophobicContact CG2-CG1 3.52Å; I1292-G2020 CarbonylContact C-O 3.56Å; I1292-G2020 WeakPolarHBondContact CA-O 3.42Å; I1292-F2027 HydrophobicContact CD1-CB 3.65Å; I1292-F2027 HydrophobicContact CG1-CB 4Å; I1292-Q2028 VanDerWaalsContact CD1-O 3.26Å; I1292-Q2028 WeakPolarHBondContact CD1-O 3.06Å; I1292-V2029 HydrophobicContact CD1-CG2 4.12Å | ||
| 1293 | W | 78.1 | Confident | 74.1 | Confident | 95 Ų | 95 | 92.3 Ų | 92.3 | 36% | 0.36 | 42% | 0.424 | S | S | . | . | trans | -106.9 | 141.7 | 168.4 | -60 | -38 | 0 | 0 | 0 | 109.9 | Y1329 L1641 T1642 L1857 V1860 F1861 V2019 G2020 F2022 | W1293-Y1329 HydrophobicContact CB-CE1 4.34Å; W1293-L1641 HydrophobicContact CD2-CD2 3.84Å; W1293-L1641 VanDerWaalsContact CD2-CD2 3.47Å; W1293-L1641 VanDerWaalsContact CE2-CD2 3.45Å; W1293-L1641 HydrophobicContact CE3-CB 4.38Å; W1293-L1641 HydrophobicContact CE3-CD2 3.92Å; W1293-L1641 HydrophobicContact CG-CD2 4.05Å; W1293-L1641 VanDerWaalsContact CH2-C 3.45Å; W1293-L1641 HydrophobicContact CH2-CB 3.88Å; W1293-L1641 HydrophobicContact CH2-CD2 4.3Å; W1293-L1641 WeakPolarHBondContact CH2-O 3.45Å; W1293-L1641 HydrophobicContact CZ2-CB 4.19Å; W1293-L1641 HydrophobicContact CZ2-CD2 4.01Å; W1293-L1641 VanDerWaalsContact CZ2-O 3.24Å; W1293-L1641 WeakPolarHBondContact CZ2-O 3.44Å; W1293-L1641 HydrophobicContact CZ3-CB 4.03Å; W1293-L1641 HydrophobicContact CZ3-CD2 4.23Å; W1293-T1642 HydrophobicContact CH2-CG2 3.75Å; W1293-T1642 HydrophobicContact CZ3-CG2 4.03Å; W1293-L1857 HydrophobicContact CB-CD1 4.34Å; W1293-L1857 HydrophobicContact CB-CD2 4.01Å; W1293-L1857 HydrophobicContact CE3-CD2 4.22Å; W1293-V1860 HydrophobicContact CZ3-CG1 4.4Å; W1293-F1861 HydrophobicContact CB-CE2 4.47Å; W1293-F1861 HydrophobicContact CD2-CE2 4.24Å; W1293-F1861 AromaticContact CD2-CZ 3.97Å; W1293-F1861 HydrophobicContact CD2-CZ 4.1Å; W1293-F1861 HydrophobicContact CE3-CE1 4.43Å; W1293-F1861 AromaticContact CE3-CE2 3.42Å; W1293-F1861 HydrophobicContact CE3-CE2 3.42Å; W1293-F1861 AromaticContact CE3-CZ 3.28Å; W1293-F1861 HydrophobicContact CE3-CZ 3.28Å; W1293-F1861 HydrophobicContact CH2-CZ 4.2Å; W1293-F1861 HydrophobicContact CZ3-CE1 4.18Å; W1293-F1861 AromaticContact CZ3-CE2 3.9Å; W1293-F1861 HydrophobicContact CZ3-CE2 3.9Å; W1293-F1861 AromaticContact CZ3-CZ 3.34Å; W1293-F1861 HydrophobicContact CZ3-CZ 3.34Å; W1293-V2019 CarbonylContact O-C 3.56Å; W1293-V2019 WeakPolarHBondContact O-CA 3.5Å; W1293-G2020 PolarHBondContact N-O 3.11Å; W1293-G2020 PolarHBondContact O-N 3.22Å; W1293-F2022 HydrophobicContact CB-CE1 4.42Å; W1293-F2022 AromaticContact CD1-CD1 3.91Å; W1293-F2022 AromaticContact CD1-CE1 3.06Å; W1293-F2022 AromaticContact CD1-CZ 3.49Å; W1293-F2022 VanDerWaalsContact CD1-CZ 3.49Å; W1293-F2022 HydrophobicContact CD2-CD1 4.05Å; W1293-F2022 AromaticContact CD2-CE1 3.9Å; W1293-F2022 HydrophobicContact CD2-CE1 3.9Å; W1293-F2022 HydrophobicContact CD2-CZ 4.38Å; W1293-F2022 AromaticContact CE2-CD1 3.92Å; W1293-F2022 AromaticContact CE2-CE1 3.52Å; W1293-F2022 AromaticContact CE2-CE2 3.93Å; W1293-F2022 AromaticContact CE2-CZ 3.54Å; W1293-F2022 AromaticContact CG-CD1 3.98Å; W1293-F2022 HydrophobicContact CG-CD1 3.98Å; W1293-F2022 AromaticContact CG-CE1 3.58Å; W1293-F2022 HydrophobicContact CG-CE1 3.58Å; W1293-F2022 HydrophobicContact CG-CZ 4.3Å; W1293-F2022 HydrophobicContact CZ2-CD1 4.49Å; W1293-F2022 HydrophobicContact CZ2-CD2 4.15Å; W1293-F2022 HydrophobicContact CZ2-CE1 4.3Å; W1293-F2022 AromaticContact CZ2-CE2 3.93Å; W1293-F2022 HydrophobicContact CZ2-CE2 3.93Å; W1293-F2022 HydrophobicContact CZ2-CG 4.46Å; W1293-F2022 HydrophobicContact CZ2-CZ 4.03Å; W1293-F2022 AromaticContact NE1-CD1 3.88Å; W1293-F2022 AromaticContact NE1-CE1 3.03Å; W1293-F2022 AromaticContact NE1-CE2 3.75Å; W1293-F2022 AromaticContact NE1-CZ 2.95Å | ||
| 1294 | F | 80.6 | Confident | 75.2 | Confident | 68.2 Ų | 68.2 | 91 Ų | 91 | 30% | 0.299 | 43% | 0.426 | S | S | . | . | trans | -134.3 | 127 | 179.2 | 130.5 | -98.6 | 0 | 0 | 0 | 111 | L1284 V1286 N1296 Y1329 Y2017 D2018 V2019 | L1284-F1294 HydrophobicContact CB-CD2 4.09Å; L1284-F1294 HydrophobicContact CB-CE2 3.97Å; L1284-F1294 HydrophobicContact CB-CG 4.48Å; L1284-F1294 HydrophobicContact CB-CZ 4.27Å; L1284-F1294 HydrophobicContact CD1-CE2 4.35Å; L1284-F1294 HydrophobicContact CD2-CB 4.07Å; L1284-F1294 HydrophobicContact CD2-CD1 4.32Å; L1284-F1294 HydrophobicContact CD2-CD2 4.2Å; L1284-F1294 HydrophobicContact CD2-CE1 4.35Å; L1284-F1294 HydrophobicContact CD2-CE2 3.96Å; L1284-F1294 HydrophobicContact CD2-CG 3.96Å; L1284-F1294 HydrophobicContact CD2-CZ 3.81Å; L1284-F1294 VanDerWaalsContact O-CZ 3.3Å; L1284-F1294 WeakPolarHBondContact O-CZ 3.34Å; V1286-F1294 HydrophobicContact CB-CB 4.44Å; V1286-F1294 HydrophobicContact CB-CD1 4.3Å; V1286-F1294 HydrophobicContact CG1-CB 4.01Å; V1286-F1294 HydrophobicContact CG2-CB 4.03Å; V1286-F1294 HydrophobicContact CG2-CD1 3.94Å; V1286-F1294 HydrophobicContact CG2-CD2 3.92Å; V1286-F1294 HydrophobicContact CG2-CE1 3.68Å; V1286-F1294 HydrophobicContact CG2-CE2 4.42Å; V1286-F1294 HydrophobicContact CG2-CG 3.73Å; V1286-F1294 HydrophobicContact CG2-CZ 4.26Å; F1294-N1296 HydrophobicContact CE1-CB 4.09Å; F1294-N1296 HydrophobicContact CZ-CB 3.71Å; F1294-Y1329 VanDerWaalsContact C-OH 3.22Å; F1294-Y1329 PolarHBondContact N-OH 3.19Å; F1294-Y1329 VanDerWaalsContact O-CE2 3.22Å; F1294-Y1329 WeakPolarHBondContact O-CE2 3.32Å; F1294-Y1329 PolarHBondContact O-OH 2.95Å; F1294-Y2017 HydrophobicContact CB-CD1 4.46Å; F1294-Y2017 AromaticContact CD2-CD1 3.85Å; F1294-Y2017 HydrophobicContact CD2-CD1 3.85Å; F1294-Y2017 AromaticContact CD2-CE1 3.88Å; F1294-Y2017 HydrophobicContact CD2-CE1 3.88Å; F1294-Y2017 HydrophobicContact CE2-CE1 4.3Å; F1294-D2018 CarbonylContact C-O 3.54Å; F1294-D2018 WeakPolarHBondContact CA-O 3.32Å; F1294-V2019 HydrophobicContact CB-CG2 4.46Å | ||
| 1295 | E | 82.4 | Confident | 76.2 | Confident | 26 Ų | 26 | 90 Ų | 90 | 12% | 0.121 | 42% | 0.422 | C | S | . | . | trans | -111.7 | 117.6 | 176 | -177.1 | 176.5 | -144.3 | 0 | 0 | 110.1 | R1297 V1300 R1325 S1327 Y1329 L1856 L1857 Y2017 D2018 | E1295-R1297 PolarHBondContact O-N 3.14Å; E1295-R1297 VanDerWaalsContact O-N 3.09Å; E1295-R1297 WeakPolarHBondContact OE1-CD 3.09Å; E1295-R1297 IonicContact OE1-CZ 3.58Å; E1295-R1297 IonicContact OE1-NE 3.93Å; E1295-R1297 IonicContact OE1-NH1 3.08Å; E1295-R1297 PolarHBondContact OE1-NH1 2.76Å; E1295-R1297 IonicContact OE2-NH1 3.61Å; E1295-R1297 PolarHBondContact OE2-NH1 2.96Å; E1295-V1300 HydrophobicContact CG-CG2 3.81Å; E1295-V1300 WeakPolarHBondContact OE1-CG2 3.29Å; E1295-V1300 WeakPolarHBondContact OE2-CG2 3.2Å; E1295-R1325 WeakPolarHBondContact OE1-CD 3.39Å; E1295-R1325 IonicContact OE1-CZ 2.91Å; E1295-R1325 IonicContact OE1-NE 3.27Å; E1295-R1325 PolarHBondContact OE1-NE 2.85Å; E1295-R1325 IonicContact OE1-NH1 2.65Å; E1295-R1325 IonicContact OE1-NH2 3.01Å; E1295-R1325 PolarHBondContact OE1-NH2 2.89Å; E1295-R1325 IonicContact OE2-CZ 3.82Å; E1295-R1325 IonicContact OE2-NE 3.08Å; E1295-R1325 IonicContact OE2-NH2 3.56Å; E1295-R1325 PolarHBondContact OE2-NH2 2.76Å; E1295-S1327 WeakPolarHBondContact CG-OG 3.38Å; E1295-S1327 WeakPolarHBondContact OE1-CB 3.26Å; E1295-S1327 PolarHBondContact OE1-OG 2.92Å; E1295-Y1329 HydrophobicContact CB-CD2 4.34Å; E1295-Y1329 HydrophobicContact CB-CE2 4.08Å; E1295-Y1329 HydrophobicContact CG-CD2 4.2Å; E1295-Y1329 HydrophobicContact CG-CE2 4.14Å; E1295-L1856 VanDerWaalsContact OE2-CB 3.28Å; E1295-L1856 WeakPolarHBondContact OE2-CB 3.32Å; E1295-L1856 PolarHBondContact OE2-N 3.1Å; E1295-L1857 HydrophobicContact CB-CD1 4.31Å; E1295-L1857 HydrophobicContact CB-CG 4.38Å; E1295-Y2017 VanDerWaalsContact O-CA 3.31Å; E1295-Y2017 WeakPolarHBondContact O-CA 3.36Å; E1295-D2018 HydrophobicContact CB-CB 4.47Å; E1295-D2018 PolarHBondContact N-O 3.06Å; E1295-D2018 PolarHBondContact O-N 3.05Å | ||
| 1296 | N | 81.1 | Confident | 77.2 | Confident | 39.4 Ų | 39.4 | 90 Ų | 90 | 21% | 0.211 | 42% | 0.423 | C | S | . | . | trans | -75.5 | 99.4 | 174.6 | -174.2 | -21.3 | 0 | 0 | 0 | 110.3 | F1294 K1298 K1299 V1300 Y2017 | F1294-N1296 HydrophobicContact CE1-CB 4.09Å; F1294-N1296 HydrophobicContact CZ-CB 3.71Å; N1296-K1298 PolarHBondContact O-N 3.07Å; N1296-K1298 VanDerWaalsContact O-N 3.15Å; N1296-K1298 WeakPolarHBondContact OD1-CB 3.4Å; N1296-K1298 PolarHBondContact OD1-N 3.03Å; N1296-K1298 VanDerWaalsContact OD1-N 3.09Å; N1296-K1299 HydrophobicContact CB-CB 4.33Å; N1296-K1299 HydrophobicContact CB-CD 4.43Å; N1296-K1299 HydrophobicContact CB-CG 4.38Å; N1296-K1299 WeakPolarHBondContact O-CA 3.37Å; N1296-K1299 PolarHBondContact O-N 3.23Å; N1296-V1300 PolarHBondContact O-N 2.68Å; N1296-Y2017 HydrophobicContact CB-CD1 3.95Å; N1296-Y2017 HydrophobicContact CB-CE1 3.5Å; N1296-Y2017 PolarHBondContact ND2-OH 3.17Å | ||
| 1297 | R | 82.1 | Confident | 78.3 | Confident | 104.2 Ų | 104.2 | 89.6 Ų | 89.6 | 39% | 0.393 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -22.2 | -178 | -64.7 | -124.5 | 23.7 | -178.5 | -1.2 | 114.7 | E1295 K1299 V1300 K1852 S1853 S1854 R1937 D2016 D2018 | E1295-R1297 PolarHBondContact O-N 3.14Å; E1295-R1297 VanDerWaalsContact O-N 3.09Å; E1295-R1297 WeakPolarHBondContact OE1-CD 3.09Å; E1295-R1297 IonicContact OE1-CZ 3.58Å; E1295-R1297 IonicContact OE1-NE 3.93Å; E1295-R1297 IonicContact OE1-NH1 3.08Å; E1295-R1297 PolarHBondContact OE1-NH1 2.76Å; E1295-R1297 IonicContact OE2-NH1 3.61Å; E1295-R1297 PolarHBondContact OE2-NH1 2.96Å; R1297-K1299 VanDerWaalsContact C-N 3.31Å; R1297-K1299 PolarHBondContact O-N 3.09Å; R1297-V1300 PolarHBondContact O-N 3Å; R1297-K1852 PolarHBondContact NH2-O 3.23Å; R1297-K1852 VanDerWaalsContact NH2-O 3.1Å; R1297-S1853 PolarHBondContact NH2-O 3.1Å; R1297-S1854 PolarHBondContact NH1-O 3.18Å; R1297-S1854 PolarHBondContact NH2-O 2.94Å; R1297-R1937 VanDerWaalsContact NH1-NH1 3.2Å; R1297-D2016 HydrophobicContact CB-CB 4.3Å; R1297-D2016 PolarHBondContact N-O 2.85Å; R1297-D2018 WeakPolarHBondContact CD-OD1 3.5Å |
| 1298 | K | 80.4 | Confident | 79.6 | Confident | 147.8 Ų | 147.8 | 91 Ų | 91 | 64% | 0.643 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -23 | 174.9 | -61.8 | -173.5 | 175.5 | -173.3 | 0 | 113.3 | N1296 P2013 L2014 D2016 | N1296-K1298 PolarHBondContact O-N 3.07Å; N1296-K1298 VanDerWaalsContact O-N 3.15Å; N1296-K1298 WeakPolarHBondContact OD1-CB 3.4Å; N1296-K1298 PolarHBondContact OD1-N 3.03Å; N1296-K1298 VanDerWaalsContact OD1-N 3.09Å; K1298-P2013 VanDerWaalsContact CE-O 3.23Å; K1298-P2013 WeakPolarHBondContact CE-O 3.04Å; K1298-P2013 PolarHBondContact NZ-O 3.32Å; K1298-L2014 VanDerWaalsContact NZ-C 3.31Å; K1298-L2014 PolarHBondContact NZ-O 2.64Å; K1298-D2016 HydrophobicContact CG-CB 4.25Å |
| 1299 | K | 81.8 | Confident | 80.7 | Confident | 107.2 Ų | 107.2 | 83.7 Ų | 83.7 | 47% | 0.466 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -95.9 | -5.6 | 177.9 | -68.9 | -169.3 | 174.7 | -172.2 | 0 | 113.6 | E1283 N1296 R1297 Q1301 G1326 S1327 | E1283-K1299 VanDerWaalsContact CD-CE 3.44Å; E1283-K1299 WeakPolarHBondContact OE1-CE 3.41Å; E1283-K1299 IonicContact OE1-NZ 3.32Å; E1283-K1299 PolarHBondContact OE1-NZ 2.29Å; E1283-K1299 IonicContact OE2-NZ 3.44Å; E1283-K1299 PolarHBondContact OE2-NZ 2.62Å; N1296-K1299 HydrophobicContact CB-CB 4.33Å; N1296-K1299 HydrophobicContact CB-CD 4.43Å; N1296-K1299 HydrophobicContact CB-CG 4.38Å; N1296-K1299 WeakPolarHBondContact O-CA 3.37Å; N1296-K1299 PolarHBondContact O-N 3.23Å; R1297-K1299 VanDerWaalsContact C-N 3.31Å; R1297-K1299 PolarHBondContact O-N 3.09Å; K1299-Q1301 PolarHBondContact O-N 3.23Å; K1299-G1326 CarbonylContact O-C 3.55Å; K1299-S1327 PolarHBondContact O-N 3.12Å; K1299-S1327 VanDerWaalsContact O-N 3.12Å |
| 1300 | V | 84.4 | Confident | 81.8 | Confident | 21.2 Ų | 21.2 | 81.9 Ų | 81.9 | 13% | 0.128 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 123.5 | -179.8 | 176 | 0 | 0 | 0 | 0 | 110.1 | E1295 N1296 R1297 R1325 K1852 | E1295-V1300 HydrophobicContact CG-CG2 3.81Å; E1295-V1300 WeakPolarHBondContact OE1-CG2 3.29Å; E1295-V1300 WeakPolarHBondContact OE2-CG2 3.2Å; N1296-V1300 PolarHBondContact O-N 2.68Å; R1297-V1300 PolarHBondContact O-N 3Å; V1300-R1325 CarbonylContact C-O 3.53Å; V1300-R1325 WeakPolarHBondContact CA-O 3.34Å; V1300-R1325 HydrophobicContact CG1-CG 4.06Å; V1300-R1325 VanDerWaalsContact CG1-NH2 3.35Å; V1300-K1852 HydrophobicContact CB-CG 4.44Å; V1300-K1852 HydrophobicContact CG1-CB 4.34Å; V1300-K1852 HydrophobicContact CG1-CG 4Å; V1300-K1852 WeakPolarHBondContact O-CD 3.42Å; V1300-K1852 VanDerWaalsContact O-CE 3.24Å; V1300-K1852 WeakPolarHBondContact O-CE 3.4Å; V1300-K1852 PolarHBondContact O-NZ 2.85Å |
| 1301 | Q | 85.4 | Confident | 82.7 | Confident | 131.2 Ų | 131.2 | 73.8 Ų | 73.8 | 61% | 0.613 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -104.5 | 152.2 | 170.2 | -61.4 | -177.4 | 6.5 | 0 | 0 | 109.5 | K1299 R1325 | K1299-Q1301 PolarHBondContact O-N 3.23Å; Q1301-R1325 PolarHBondContact N-O 2.91Å; Q1301-R1325 WeakPolarHBondContact O-CG 3.49Å |
| 1302 | E | 84.7 | Confident | 83 | Confident | 147 Ų | 147 | 72.8 Ų | 72.8 | 69% | 0.687 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -80.9 | 127 | 167.5 | -178.5 | 159.2 | -146.5 | 0 | 0 | 108.7 | T1304 K1852 | E1302-T1304 HydrophobicContact CG-CG2 4.45Å; E1302-K1852 HydrophobicContact CB-CB 4.33Å |
| 1303 | A | 85.6 | Confident | 83 | Confident | 24.2 Ų | 24.2 | 73.7 Ų | 73.7 | 20% | 0.2 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 122.9 | -174 | 0 | 0 | 0 | 0 | 0 | 109.8 | I1323 D1324 S1849 L1850 | A1303-I1323 HydrophobicContact CB-CG2 3.53Å; A1303-I1323 VanDerWaalsContact CB-CG2 3.47Å; A1303-D1324 VanDerWaalsContact CB-O 3.26Å; A1303-D1324 WeakPolarHBondContact CB-O 3.23Å; A1303-S1849 WeakPolarHBondContact O-CA 3.43Å; A1303-L1850 PolarHBondContact N-O 3.15Å; A1303-L1850 PolarHBondContact O-N 2.92Å |
| 1304 | T | 88.2 | Confident | 83.1 | Confident | 103 Ų | 103 | 78.4 Ų | 78.4 | 63% | 0.632 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 140.4 | -179 | 60.8 | 0 | 0 | 0 | 0 | 110.4 | E1302 F1848 | E1302-T1304 HydrophobicContact CG-CG2 4.45Å; T1304-F1848 CarbonylContact C-O 3.5Å; T1304-F1848 VanDerWaalsContact CA-O 3.26Å; T1304-F1848 WeakPolarHBondContact CA-O 3.42Å |
| 1305 | V | 88.6 | Confident | 83 | Confident | 55 Ų | 55 | 76.7 Ų | 76.7 | 33% | 0.333 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 122 | 175.3 | 178.9 | 0 | 0 | 0 | 0 | 108.3 | L1307 I1321 I1323 S1847 F1848 | V1305-L1307 HydrophobicContact CG1-CD2 4.31Å; V1305-I1321 HydrophobicContact CB-CG2 4.32Å; V1305-I1321 HydrophobicContact CG1-CD1 4.17Å; V1305-I1321 HydrophobicContact CG1-CG2 4.26Å; V1305-I1321 HydrophobicContact CG2-CG2 4.21Å; V1305-I1323 HydrophobicContact CB-CD1 4.44Å; V1305-I1323 HydrophobicContact CG2-CD1 4.19Å; V1305-I1323 HydrophobicContact CG2-CG1 3.95Å; V1305-I1323 HydrophobicContact CG2-CG2 4.47Å; V1305-S1847 CarbonylContact O-C 3.54Å; V1305-S1847 VanDerWaalsContact O-CA 3.31Å; V1305-S1847 WeakPolarHBondContact O-CA 3.4Å; V1305-F1848 PolarHBondContact N-O 3.17Å; V1305-F1848 WeakPolarHBondContact O-CD2 3.45Å; V1305-F1848 PolarHBondContact O-N 2.81Å |
| 1306 | T | 88.6 | Confident | 82.7 | Confident | 75.8 Ų | 75.8 | 78.7 Ų | 78.7 | 47% | 0.465 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 128.9 | 175.5 | -56.7 | 0 | 0 | 0 | 0 | 109.7 | H1308 K1845 L1846 S1847 | T1306-H1308 PolarHBondContact O-N 3.48Å; T1306-K1845 HydrophobicContact CG2-CB 4.01Å; T1306-K1845 HydrophobicContact CG2-CD 4.5Å; T1306-L1846 CarbonylContact C-O 3.59Å; T1306-L1846 WeakPolarHBondContact CA-O 3.47Å; T1306-S1847 WeakPolarHBondContact CG2-OG 3.49Å; T1306-S1847 WeakPolarHBondContact OG1-CB 3.4Å; T1306-S1847 PolarHBondContact OG1-OG 2.9Å |
| 1307 | L | 87.3 | Confident | 82.3 | Confident | 22.4 Ų | 22.4 | 85.6 Ų | 85.6 | 12% | 0.117 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 129.4 | 173.3 | -65.4 | 178 | 0 | 0 | 0 | 110.2 | V1305 D1311 L1315 I1321 F1335 L1338 L1340 K1845 L1846 F1848 | V1305-L1307 HydrophobicContact CG1-CD2 4.31Å; L1307-D1311 HydrophobicContact CD2-CB 4.3Å; L1307-L1315 HydrophobicContact CD1-CD1 4.26Å; L1307-L1315 HydrophobicContact CD2-CD1 3.89Å; L1307-L1315 HydrophobicContact CD2-CD2 4.27Å; L1307-L1315 HydrophobicContact CD2-CG 4.12Å; L1307-I1321 HydrophobicContact CD1-CD1 3.77Å; L1307-I1321 HydrophobicContact CD2-CD1 3.82Å; L1307-I1321 HydrophobicContact CG-CD1 4.08Å; L1307-F1335 HydrophobicContact CD1-CE2 4.06Å; L1307-F1335 HydrophobicContact CD1-CZ 4.15Å; L1307-L1338 HydrophobicContact CD1-CD1 4.04Å; L1307-L1338 HydrophobicContact CD1-CD2 4.06Å; L1307-L1340 HydrophobicContact CB-CD1 4.13Å; L1307-L1340 HydrophobicContact CD1-CD1 4.37Å; L1307-L1340 WeakPolarHBondContact O-CD1 3.46Å; L1307-K1845 WeakPolarHBondContact O-CA 3.41Å; L1307-L1846 PolarHBondContact N-O 2.93Å; L1307-L1846 PolarHBondContact O-N 2.97Å; L1307-F1848 HydrophobicContact CD1-CE2 3.76Å; L1307-F1848 HydrophobicContact CD1-CZ 4.43Å; L1307-F1848 HydrophobicContact CG-CE2 4.09Å |
| 1308 | H | 86.4 | Confident | 82 | Confident | 79.4 Ų | 79.4 | 85.3 Ų | 85.3 | 37% | 0.368 | 45% | 0.452 | S | S | . | . | trans | -102.4 | 160.1 | 165.9 | -52.5 | 86.7 | 0 | 0 | 0 | 109.5 | T1306 D1310 D1311 L1340 | T1306-H1308 PolarHBondContact O-N 3.48Å; H1308-D1310 VanDerWaalsContact C-N 3.29Å; H1308-D1310 PolarHBondContact O-N 3.11Å; H1308-D1310 VanDerWaalsContact O-N 3.15Å; H1308-D1311 WeakPolarHBondContact CB-OD2 3.36Å; H1308-D1311 IonicContact CG-OD2 3.28Å; H1308-D1311 PolarHBondContact N-OD2 3.02Å; H1308-D1311 VanDerWaalsContact N-OD2 3.13Å; H1308-D1311 IonicContact ND1-OD2 2.99Å; H1308-D1311 PolarHBondContact ND1-OD2 3.08Å; H1308-D1311 VanDerWaalsContact ND1-OD2 3.17Å; H1308-D1311 WeakPolarHBondContact O-CA 3.28Å; H1308-D1311 VanDerWaalsContact O-CB 3.22Å; H1308-D1311 WeakPolarHBondContact O-CB 3.1Å; H1308-D1311 PolarHBondContact O-N 3.15Å; H1308-L1340 VanDerWaalsContact C-CD1 3.47Å; H1308-L1340 WeakPolarHBondContact O-CD1 3.36Å | ||
| 1309 | P | 81.1 | Confident | 82.1 | Confident | 33.6 Ų | 33.6 | 82.6 Ų | 82.6 | 22% | 0.218 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -42.5 | -43.2 | 168.9 | -34.4 | 39.2 | 0 | 0 | 0 | 115.4 | P527 D1311 I1312 L1340 M1341 P1844 | P527-P1309 VanDerWaalsContact C-CB 3.41Å; P527-P1309 VanDerWaalsContact C-CG 3.42Å; P527-P1309 HydrophobicContact CB-CB 3.65Å; P527-P1309 HydrophobicContact CB-CG 3.57Å; P527-P1309 HydrophobicContact CG-CB 3.44Å; P527-P1309 VanDerWaalsContact CG-CB 3.44Å; P527-P1309 HydrophobicContact CG-CG 3.83Å; P527-P1309 WeakPolarHBondContact O-CB 3.37Å; P527-P1309 WeakPolarHBondContact O-CG 3.28Å; P1309-D1311 VanDerWaalsContact C-N 3.35Å; P1309-D1311 PolarHBondContact O-N 3.08Å; P1309-I1312 VanDerWaalsContact O-CB 3.31Å; P1309-I1312 WeakPolarHBondContact O-CB 3.25Å; P1309-I1312 VanDerWaalsContact O-CG1 3.24Å; P1309-I1312 WeakPolarHBondContact O-CG1 3.29Å; P1309-I1312 PolarHBondContact O-N 3.2Å; P1309-L1340 HydrophobicContact CG-CB 4.19Å; P1309-L1340 HydrophobicContact CG-CD1 4.41Å; P1309-L1340 VanDerWaalsContact N-CD1 3.34Å; P1309-M1341 HydrophobicContact CB-CE 4.15Å; P1309-M1341 HydrophobicContact CB-CG 4.07Å; P1309-M1341 HydrophobicContact CB-SD 4.15Å; P1309-M1341 HydrophobicContact CG-CE 4.2Å; P1309-M1341 HydrophobicContact CG-CG 3.88Å; P1309-M1341 HydrophobicContact CG-SD 4.47Å; P1309-P1844 WeakPolarHBondContact CD-O 3.11Å; P1309-P1844 HydrophobicContact CG-CG 3.72Å |
| 1310 | D | 81.7 | Confident | 82.4 | Confident | 93.4 Ų | 93.4 | 78.4 Ų | 78.4 | 50% | 0.499 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.6 | -24.5 | 179.9 | -51.4 | -48.7 | 0 | 0 | 0 | 113 | I526 H1308 I1312 G1313 K1843 | I526-D1310 WeakPolarHBondContact CA-OD1 3.37Å; I526-D1310 WeakPolarHBondContact CG1-OD1 3.36Å; I526-D1310 PolarHBondContact N-OD1 2.76Å; H1308-D1310 VanDerWaalsContact C-N 3.29Å; H1308-D1310 PolarHBondContact O-N 3.11Å; H1308-D1310 VanDerWaalsContact O-N 3.15Å; D1310-I1312 VanDerWaalsContact C-N 3.27Å; D1310-I1312 PolarHBondContact O-N 2.88Å; D1310-G1313 PolarHBondContact O-N 3.11Å; D1310-K1843 IonicContact OD1-NZ 2.74Å; D1310-K1843 PolarHBondContact OD1-NZ 2.92Å; D1310-K1843 IonicContact OD2-NZ 3.14Å; D1310-K1843 PolarHBondContact OD2-NZ 3.13Å |
| 1311 | D | 80.1 | Confident | 82.6 | Confident | 36.8 Ų | 36.8 | 78.4 Ų | 78.4 | 20% | 0.197 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -79.6 | -18 | -179.6 | -57.9 | -47.3 | 0 | 0 | 0 | 112.3 | L1307 H1308 P1309 G1313 R1314 L1315 | L1307-D1311 HydrophobicContact CD2-CB 4.3Å; H1308-D1311 WeakPolarHBondContact CB-OD2 3.36Å; H1308-D1311 IonicContact CG-OD2 3.28Å; H1308-D1311 PolarHBondContact N-OD2 3.02Å; H1308-D1311 VanDerWaalsContact N-OD2 3.13Å; H1308-D1311 IonicContact ND1-OD2 2.99Å; H1308-D1311 PolarHBondContact ND1-OD2 3.08Å; H1308-D1311 VanDerWaalsContact ND1-OD2 3.17Å; H1308-D1311 WeakPolarHBondContact O-CA 3.28Å; H1308-D1311 VanDerWaalsContact O-CB 3.22Å; H1308-D1311 WeakPolarHBondContact O-CB 3.1Å; H1308-D1311 PolarHBondContact O-N 3.15Å; P1309-D1311 VanDerWaalsContact C-N 3.35Å; P1309-D1311 PolarHBondContact O-N 3.08Å; D1311-G1313 VanDerWaalsContact C-N 3.27Å; D1311-G1313 PolarHBondContact O-N 3.17Å; D1311-R1314 CarbonylContact O-C 3.58Å; D1311-R1314 WeakPolarHBondContact O-CA 3.32Å; D1311-R1314 WeakPolarHBondContact O-CB 3.37Å; D1311-R1314 PolarHBondContact O-N 3.08Å; D1311-R1314 IonicContact OD1-CZ 2.95Å; D1311-R1314 IonicContact OD1-NH1 3.69Å; D1311-R1314 PolarHBondContact OD1-NH1 2.99Å; D1311-R1314 VanDerWaalsContact OD1-NH1 3.17Å; D1311-L1315 PolarHBondContact O-N 3.04Å |
| 1312 | I | 77.6 | Confident | 82.8 | Confident | 60.6 Ų | 60.6 | 76.6 Ų | 76.6 | 31% | 0.311 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -57.4 | -39 | 176.8 | -58.5 | 175.1 | 0 | 0 | 0 | 110.8 | P1309 D1310 R1314 L1315 L1338 L1340 | P1309-I1312 VanDerWaalsContact O-CB 3.31Å; P1309-I1312 WeakPolarHBondContact O-CB 3.25Å; P1309-I1312 VanDerWaalsContact O-CG1 3.24Å; P1309-I1312 WeakPolarHBondContact O-CG1 3.29Å; P1309-I1312 PolarHBondContact O-N 3.2Å; D1310-I1312 VanDerWaalsContact C-N 3.27Å; D1310-I1312 PolarHBondContact O-N 2.88Å; I1312-R1314 VanDerWaalsContact C-N 3.27Å; I1312-R1314 PolarHBondContact O-N 3.17Å; I1312-L1315 PolarHBondContact O-N 3.11Å; I1312-L1338 HydrophobicContact CD1-CD2 4.36Å; I1312-L1338 HydrophobicContact CD1-CG 4.33Å; I1312-L1338 HydrophobicContact CG1-CD2 4.1Å; I1312-L1338 HydrophobicContact CG1-CG 4.43Å; I1312-L1338 HydrophobicContact CG2-CD2 4.33Å; I1312-L1340 HydrophobicContact CD1-CB 4.22Å; I1312-L1340 HydrophobicContact CD1-CD1 3.99Å; I1312-L1340 HydrophobicContact CD1-CG 3.97Å; I1312-L1340 HydrophobicContact CG1-CD1 4.12Å; I1312-L1340 HydrophobicContact CG1-CG 4.4Å |
| 1313 | G | 76.9 | Confident | 83 | Confident | 76.8 Ų | 76.8 | 70.3 Ų | 70.3 | 79% | 0.792 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -8.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | D1310 D1311 | D1310-G1313 PolarHBondContact O-N 3.11Å; D1311-G1313 VanDerWaalsContact C-N 3.27Å; D1311-G1313 PolarHBondContact O-N 3.17Å |
| 1314 | R | 79.3 | Confident | 83.2 | Confident | 194.2 Ų | 194.2 | 72.7 Ų | 72.7 | 73% | 0.733 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | -10.2 | 178.9 | -62.9 | 176.4 | 175 | 153.5 | -4.9 | 113.3 | D1311 I1312 | D1311-R1314 CarbonylContact O-C 3.58Å; D1311-R1314 WeakPolarHBondContact O-CA 3.32Å; D1311-R1314 WeakPolarHBondContact O-CB 3.37Å; D1311-R1314 PolarHBondContact O-N 3.08Å; D1311-R1314 IonicContact OD1-CZ 2.95Å; D1311-R1314 IonicContact OD1-NH1 3.69Å; D1311-R1314 PolarHBondContact OD1-NH1 2.99Å; D1311-R1314 VanDerWaalsContact OD1-NH1 3.17Å; I1312-R1314 VanDerWaalsContact C-N 3.27Å; I1312-R1314 PolarHBondContact O-N 3.17Å |
| 1315 | L | 78.5 | Confident | 83.1 | Confident | 32.4 Ų | 32.4 | 69.4 Ų | 69.4 | 17% | 0.17 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -62.1 | 146.2 | 175.3 | -70.7 | 173.3 | 0 | 0 | 0 | 110.6 | L1307 D1311 I1312 I1321 L1338 | L1307-L1315 HydrophobicContact CD1-CD1 4.26Å; L1307-L1315 HydrophobicContact CD2-CD1 3.89Å; L1307-L1315 HydrophobicContact CD2-CD2 4.27Å; L1307-L1315 HydrophobicContact CD2-CG 4.12Å; D1311-L1315 PolarHBondContact O-N 3.04Å; I1312-L1315 PolarHBondContact O-N 3.11Å; L1315-I1321 HydrophobicContact CD2-CD1 3.9Å; L1315-I1321 HydrophobicContact CD2-CG1 3.84Å; L1315-L1338 HydrophobicContact CD1-CD2 3.7Å |
| 1316 | P | 76.7 | Confident | 82.8 | Confident | 67 Ų | 67 | 68.1 Ų | 68.1 | 44% | 0.435 | 37% | 0.371 | S | S | . | . | trans | -60.4 | 158.8 | 174.5 | 26.5 | -34.7 | 0 | 0 | 0 | 111.1 | N1318 K1319 S1320 | P1316-N1318 WeakPolarHBondContact CB-OD1 3.46Å; P1316-N1318 WeakPolarHBondContact CG-OD1 3.43Å; P1316-N1318 PolarHBondContact O-N 3.06Å; P1316-K1319 WeakPolarHBondContact O-CA 3.4Å; P1316-K1319 PolarHBondContact O-N 2.98Å; P1316-S1320 WeakPolarHBondContact CD-O 3.35Å; P1316-S1320 VanDerWaalsContact CG-O 3.26Å; P1316-S1320 WeakPolarHBondContact CG-O 3.31Å; P1316-S1320 VanDerWaalsContact CG-OG 3.28Å; P1316-S1320 WeakPolarHBondContact CG-OG 3.39Å | ||
| 1317 | L | 72.3 | Confident | 82.6 | Confident | 184.8 Ų | 184.8 | 65.3 Ų | 65.3 | 97% | 0.968 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -31.6 | -174.7 | -72 | 165.3 | 0 | 0 | 0 | 114.5 | K1319 | L1317-K1319 VanDerWaalsContact C-N 3.29Å; L1317-K1319 PolarHBondContact O-N 3.14Å |
| 1318 | N | 76.1 | Confident | 82.3 | Confident | 97.2 Ų | 97.2 | 66 Ų | 66 | 52% | 0.52 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 0.3 | 177.6 | 26.5 | -4.4 | 0 | 0 | 0 | 113.9 | P1316 S1320 | P1316-N1318 WeakPolarHBondContact CB-OD1 3.46Å; P1316-N1318 WeakPolarHBondContact CG-OD1 3.43Å; P1316-N1318 PolarHBondContact O-N 3.06Å; N1318-S1320 VanDerWaalsContact C-N 3.3Å; N1318-S1320 VanDerWaalsContact CG-OG 3.32Å; N1318-S1320 VanDerWaalsContact ND2-CB 3.3Å; N1318-S1320 WeakPolarHBondContact ND2-CB 3.39Å; N1318-S1320 PolarHBondContact ND2-OG 2.84Å; N1318-S1320 PolarHBondContact O-N 3.02Å; N1318-S1320 PolarHBondContact OD1-N 3.12Å; N1318-S1320 VanDerWaalsContact OD1-N 3.17Å; N1318-S1320 PolarHBondContact OD1-OG 2.9Å; N1318-S1320 VanDerWaalsContact OD1-OG 3.13Å |
| 1319 | K | 83.6 | Confident | 82.2 | Confident | 90.8 Ų | 90.8 | 63.3 Ų | 63.3 | 40% | 0.395 | 35% | 0.354 | S | S | . | . | trans | 46.1 | 50.5 | -172.1 | -55.2 | 177.6 | -173.8 | 173.1 | 0 | 112.2 | P1316 L1317 F1335 L1338 | P1316-K1319 WeakPolarHBondContact O-CA 3.4Å; P1316-K1319 PolarHBondContact O-N 2.98Å; L1317-K1319 VanDerWaalsContact C-N 3.29Å; L1317-K1319 PolarHBondContact O-N 3.14Å; K1319-F1335 HydrophobicContact CB-CB 4.07Å; K1319-F1335 WeakPolarHBondContact CD-O 3.37Å; K1319-F1335 VanDerWaalsContact O-CD2 3.27Å; K1319-F1335 WeakPolarHBondContact O-CD2 3.34Å; K1319-F1335 PolarHBondContact O-N 3.17Å; K1319-F1335 VanDerWaalsContact O-N 3.07Å; K1319-L1338 HydrophobicContact CD-CB 4.12Å | ||
| 1320 | S | 87.3 | Confident | 82.6 | Confident | 19.6 Ų | 19.6 | 64.4 Ų | 64.4 | 14% | 0.137 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 140.4 | 179.4 | 72.9 | 0 | 0 | 0 | 0 | 113.1 | P1316 N1318 R1332 L1333 D1334 | P1316-S1320 WeakPolarHBondContact CD-O 3.35Å; P1316-S1320 VanDerWaalsContact CG-O 3.26Å; P1316-S1320 WeakPolarHBondContact CG-O 3.31Å; P1316-S1320 VanDerWaalsContact CG-OG 3.28Å; P1316-S1320 WeakPolarHBondContact CG-OG 3.39Å; N1318-S1320 VanDerWaalsContact C-N 3.3Å; N1318-S1320 VanDerWaalsContact CG-OG 3.32Å; N1318-S1320 VanDerWaalsContact ND2-CB 3.3Å; N1318-S1320 WeakPolarHBondContact ND2-CB 3.39Å; N1318-S1320 PolarHBondContact ND2-OG 2.84Å; N1318-S1320 PolarHBondContact O-N 3.02Å; N1318-S1320 PolarHBondContact OD1-N 3.12Å; N1318-S1320 VanDerWaalsContact OD1-N 3.17Å; N1318-S1320 PolarHBondContact OD1-OG 2.9Å; N1318-S1320 VanDerWaalsContact OD1-OG 3.13Å; S1320-R1332 PolarHBondContact OG-NH2 3.24Å; S1320-L1333 CarbonylContact C-O 3.55Å; S1320-L1333 WeakPolarHBondContact CA-O 3.32Å; S1320-L1333 WeakPolarHBondContact CB-O 3.42Å; S1320-D1334 VanDerWaalsContact CB-OD1 3.27Å; S1320-D1334 WeakPolarHBondContact CB-OD1 3.43Å |
| 1321 | I | 89.1 | Confident | 82.9 | Confident | 21.4 Ų | 21.4 | 60.5 Ų | 60.5 | 11% | 0.11 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 141.1 | 172.2 | -59.4 | 178.2 | 0 | 0 | 0 | 108.5 | V1305 L1307 L1315 I1323 R1332 L1333 F1335 | V1305-I1321 HydrophobicContact CB-CG2 4.32Å; V1305-I1321 HydrophobicContact CG1-CD1 4.17Å; V1305-I1321 HydrophobicContact CG1-CG2 4.26Å; V1305-I1321 HydrophobicContact CG2-CG2 4.21Å; L1307-I1321 HydrophobicContact CD1-CD1 3.77Å; L1307-I1321 HydrophobicContact CD2-CD1 3.82Å; L1307-I1321 HydrophobicContact CG-CD1 4.08Å; L1315-I1321 HydrophobicContact CD2-CD1 3.9Å; L1315-I1321 HydrophobicContact CD2-CG1 3.84Å; I1321-I1323 HydrophobicContact CG2-CG1 4.24Å; I1321-R1332 CarbonylContact O-C 3.5Å; I1321-R1332 WeakPolarHBondContact O-CA 3.34Å; I1321-L1333 HydrophobicContact CB-CB 4.46Å; I1321-L1333 PolarHBondContact N-O 3.02Å; I1321-L1333 PolarHBondContact O-N 3.28Å; I1321-F1335 HydrophobicContact CD1-CE2 3.79Å; I1321-F1335 HydrophobicContact CD1-CZ 4.3Å; I1321-F1335 HydrophobicContact CG1-CE2 4.07Å |
| 1322 | I | 89.1 | Confident | 83.4 | Confident | 92.2 Ų | 92.2 | 62.8 Ų | 62.8 | 47% | 0.473 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 125.5 | 171.9 | -58.1 | 177 | 0 | 0 | 0 | 108.1 | Q1330 V1331 R1332 L1635 | I1322-Q1330 HydrophobicContact CG2-CB 3.87Å; I1322-Q1330 HydrophobicContact CG2-CG 4.31Å; I1322-V1331 WeakPolarHBondContact CA-O 3.33Å; I1322-R1332 HydrophobicContact CG1-CB 4.34Å; I1322-R1332 HydrophobicContact CG1-CG 4.34Å; I1322-L1635 HydrophobicContact CD1-CD1 4.47Å |
| 1323 | I | 89.8 | Confident | 84 | Confident | 15.4 Ų | 15.4 | 60.7 Ų | 60.7 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 113.5 | 176.3 | -53 | 179.5 | 0 | 0 | 0 | 107.5 | A1303 V1305 I1321 Q1330 V1331 L1333 F1848 L1850 | A1303-I1323 HydrophobicContact CB-CG2 3.53Å; A1303-I1323 VanDerWaalsContact CB-CG2 3.47Å; V1305-I1323 HydrophobicContact CB-CD1 4.44Å; V1305-I1323 HydrophobicContact CG2-CD1 4.19Å; V1305-I1323 HydrophobicContact CG2-CG1 3.95Å; V1305-I1323 HydrophobicContact CG2-CG2 4.47Å; I1321-I1323 HydrophobicContact CG2-CG1 4.24Å; I1323-Q1330 CarbonylContact O-C 3.53Å; I1323-Q1330 VanDerWaalsContact O-CA 3.29Å; I1323-Q1330 WeakPolarHBondContact O-CA 3.35Å; I1323-V1331 HydrophobicContact CB-CB 4.49Å; I1323-V1331 PolarHBondContact N-O 3.14Å; I1323-V1331 PolarHBondContact O-N 3.24Å; I1323-L1333 HydrophobicContact CD1-CD1 3.9Å; I1323-L1333 HydrophobicContact CD1-CG 4.47Å; I1323-F1848 HydrophobicContact CD1-CB 3.83Å; I1323-L1850 HydrophobicContact CB-CD1 3.97Å; I1323-L1850 HydrophobicContact CG2-CD1 3.55Å; I1323-L1850 HydrophobicContact CG2-CG 4.16Å |
| 1324 | D | 88.6 | Confident | 84.7 | Confident | 75.6 Ų | 75.6 | 58.5 Ų | 58.5 | 40% | 0.404 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 134 | 176.8 | -159.8 | -40 | 0 | 0 | 0 | 110.7 | A1303 G1326 Q1330 | A1303-D1324 VanDerWaalsContact CB-O 3.26Å; A1303-D1324 WeakPolarHBondContact CB-O 3.23Å; D1324-G1326 WeakPolarHBondContact OD1-CA 3.5Å; D1324-G1326 PolarHBondContact OD1-N 3.18Å; D1324-Q1330 HydrophobicContact CB-CG 4.11Å; D1324-Q1330 VanDerWaalsContact CG-CG 3.47Å; D1324-Q1330 WeakPolarHBondContact OD2-CG 3.27Å; D1324-Q1330 PolarHBondContact OD2-NE2 2.92Å |
| 1325 | R | 86.5 | Confident | 85.2 | Confident | 32.6 Ų | 32.6 | 50.2 Ų | 50.2 | 12% | 0.123 | 27% | 0.271 | C | S | . | . | trans | -97.7 | 2.1 | 178.8 | -127.3 | 173.4 | 131 | 96.8 | -7.7 | 113 | E1295 V1300 Q1301 S1327 Y1329 L1850 P1851 S1854 | E1295-R1325 WeakPolarHBondContact OE1-CD 3.39Å; E1295-R1325 IonicContact OE1-CZ 2.91Å; E1295-R1325 IonicContact OE1-NE 3.27Å; E1295-R1325 PolarHBondContact OE1-NE 2.85Å; E1295-R1325 IonicContact OE1-NH1 2.65Å; E1295-R1325 IonicContact OE1-NH2 3.01Å; E1295-R1325 PolarHBondContact OE1-NH2 2.89Å; E1295-R1325 IonicContact OE2-CZ 3.82Å; E1295-R1325 IonicContact OE2-NE 3.08Å; E1295-R1325 IonicContact OE2-NH2 3.56Å; E1295-R1325 PolarHBondContact OE2-NH2 2.76Å; V1300-R1325 CarbonylContact C-O 3.53Å; V1300-R1325 WeakPolarHBondContact CA-O 3.34Å; V1300-R1325 HydrophobicContact CG1-CG 4.06Å; V1300-R1325 VanDerWaalsContact CG1-NH2 3.35Å; Q1301-R1325 PolarHBondContact N-O 2.91Å; Q1301-R1325 WeakPolarHBondContact O-CG 3.49Å; R1325-S1327 PolarHBondContact O-N 3.42Å; R1325-S1327 VanDerWaalsContact O-N 3.1Å; R1325-Y1329 WeakPolarHBondContact CB-O 3.22Å; R1325-Y1329 HydrophobicContact CG-CD1 4.44Å; R1325-Y1329 PolarHBondContact N-O 3.06Å; R1325-Y1329 VanDerWaalsContact N-O 3.08Å; R1325-L1850 PolarHBondContact NH1-O 2.76Å; R1325-P1851 PolarHBondContact NH1-O 3.22Å; R1325-P1851 PolarHBondContact NH2-O 2.76Å; R1325-S1854 PolarHBondContact NH2-O 3.16Å; R1325-S1854 PolarHBondContact NH2-OG 3.07Å | ||
| 1326 | G | 82.7 | Confident | 85.6 | Confident | 27.6 Ų | 27.6 | 53.3 Ų | 53.3 | 29% | 0.285 | 29% | 0.287 | S | S | . | . | S | Bend | trans | 73.8 | -26 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | K1299 D1324 G1328 Y1329 | K1299-G1326 CarbonylContact O-C 3.55Å; D1324-G1326 WeakPolarHBondContact OD1-CA 3.5Å; D1324-G1326 PolarHBondContact OD1-N 3.18Å; G1326-G1328 PolarHBondContact O-N 3.15Å; G1326-Y1329 PolarHBondContact O-N 2.85Å |
| 1327 | S | 83.1 | Confident | 86 | Confident | 17 Ų | 17 | 53.2 Ų | 53.2 | 12% | 0.119 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -65.4 | 2.9 | 179.2 | 59 | 0 | 0 | 0 | 0 | 114.7 | E1295 K1299 R1325 Y1329 | E1295-S1327 WeakPolarHBondContact CG-OG 3.38Å; E1295-S1327 WeakPolarHBondContact OE1-CB 3.26Å; E1295-S1327 PolarHBondContact OE1-OG 2.92Å; K1299-S1327 PolarHBondContact O-N 3.12Å; K1299-S1327 VanDerWaalsContact O-N 3.12Å; R1325-S1327 PolarHBondContact O-N 3.42Å; R1325-S1327 VanDerWaalsContact O-N 3.1Å; S1327-Y1329 VanDerWaalsContact C-N 3.32Å; S1327-Y1329 WeakPolarHBondContact O-CD2 3.43Å; S1327-Y1329 PolarHBondContact O-N 3.23Å; S1327-Y1329 WeakPolarHBondContact OG-CB 3.5Å; S1327-Y1329 WeakPolarHBondContact OG-CD2 3.27Å; S1327-Y1329 PolarHBondContact OG-N 3.24Å |
| 1328 | G | 81.1 | Confident | 86.7 | Confident | 36.6 Ų | 36.6 | 45.2 Ų | 45.2 | 38% | 0.377 | 24% | 0.24 | S | C | . | . | S | Bend | trans | 87.5 | -2.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | G1326 Y1636 Q1637 | G1326-G1328 PolarHBondContact O-N 3.15Å; G1328-Y1636 WeakPolarHBondContact O-CA 3.35Å; G1328-Y1636 WeakPolarHBondContact O-CD2 3.26Å; G1328-Q1637 PolarHBondContact O-N 3.12Å |
| 1329 | Y | 85.3 | Confident | 87.1 | Confident | 23 Ų | 23 | 43.3 Ų | 43.3 | 9% | 0.09 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 133.5 | 173.8 | -82.8 | -92.8 | 0 | 0 | 0 | 110.9 | W1293 F1294 E1295 R1325 G1326 S1327 V1331 L1635 Y1636 L1641 L1856 L1857 | W1293-Y1329 HydrophobicContact CB-CE1 4.34Å; F1294-Y1329 VanDerWaalsContact C-OH 3.22Å; F1294-Y1329 PolarHBondContact N-OH 3.19Å; F1294-Y1329 VanDerWaalsContact O-CE2 3.22Å; F1294-Y1329 WeakPolarHBondContact O-CE2 3.32Å; F1294-Y1329 PolarHBondContact O-OH 2.95Å; E1295-Y1329 HydrophobicContact CB-CD2 4.34Å; E1295-Y1329 HydrophobicContact CB-CE2 4.08Å; E1295-Y1329 HydrophobicContact CG-CD2 4.2Å; E1295-Y1329 HydrophobicContact CG-CE2 4.14Å; R1325-Y1329 WeakPolarHBondContact CB-O 3.22Å; R1325-Y1329 HydrophobicContact CG-CD1 4.44Å; R1325-Y1329 PolarHBondContact N-O 3.06Å; R1325-Y1329 VanDerWaalsContact N-O 3.08Å; G1326-Y1329 PolarHBondContact O-N 2.85Å; S1327-Y1329 VanDerWaalsContact C-N 3.32Å; S1327-Y1329 WeakPolarHBondContact O-CD2 3.43Å; S1327-Y1329 PolarHBondContact O-N 3.23Å; S1327-Y1329 WeakPolarHBondContact OG-CB 3.5Å; S1327-Y1329 WeakPolarHBondContact OG-CD2 3.27Å; S1327-Y1329 PolarHBondContact OG-N 3.24Å; Y1329-V1331 HydrophobicContact CD1-CG2 4.1Å; Y1329-V1331 HydrophobicContact CE1-CG2 3.41Å; Y1329-V1331 VanDerWaalsContact CE1-CG2 3.41Å; Y1329-L1635 CarbonylContact C-O 3.42Å; Y1329-L1635 WeakPolarHBondContact CA-O 3.32Å; Y1329-Y1636 AromaticContact CD1-CD2 3.83Å; Y1329-Y1636 HydrophobicContact CD1-CD2 3.83Å; Y1329-Y1636 HydrophobicContact CD1-CG 4.43Å; Y1329-Y1636 AromaticContact CD2-CD2 3.85Å; Y1329-Y1636 HydrophobicContact CD2-CD2 3.95Å; Y1329-Y1636 HydrophobicContact CD2-CE2 4.22Å; Y1329-Y1636 AromaticContact CE1-CD2 3.58Å; Y1329-Y1636 HydrophobicContact CE1-CD2 3.58Å; Y1329-Y1636 VanDerWaalsContact CE1-CD2 3.47Å; Y1329-Y1636 HydrophobicContact CE1-CE2 4.23Å; Y1329-Y1636 HydrophobicContact CE1-CG 4.2Å; Y1329-Y1636 AromaticContact CE2-CD2 3.69Å; Y1329-Y1636 HydrophobicContact CE2-CD2 3.69Å; Y1329-Y1636 AromaticContact CE2-CE2 3.73Å; Y1329-Y1636 HydrophobicContact CE2-CE2 3.73Å; Y1329-Y1636 AromaticContact CG-CD2 3.9Å; Y1329-Y1636 HydrophobicContact CG-CD2 4.02Å; Y1329-Y1636 HydrophobicContact CG-CE2 4.49Å; Y1329-Y1636 AromaticContact CZ-CD2 3.5Å; Y1329-Y1636 VanDerWaalsContact CZ-CD2 3.45Å; Y1329-Y1636 AromaticContact CZ-CE2 3.81Å; Y1329-L1641 HydrophobicContact CD1-CD1 3.66Å; Y1329-L1641 HydrophobicContact CE1-CD1 3.64Å; Y1329-L1641 HydrophobicContact CE1-CD2 4.07Å; Y1329-L1641 HydrophobicContact CE1-CG 4.45Å; Y1329-L1856 HydrophobicContact CD1-CD1 4.31Å; Y1329-L1856 HydrophobicContact CD1-CD2 3.5Å; Y1329-L1856 VanDerWaalsContact CD1-CD2 3.44Å; Y1329-L1856 HydrophobicContact CE1-CD2 3.98Å; Y1329-L1856 HydrophobicContact CG-CD1 4.15Å; Y1329-L1856 HydrophobicContact CG-CD2 4.02Å; Y1329-L1857 HydrophobicContact CE1-CD2 4.07Å |
| 1330 | Q | 88.8 | Confident | 87.2 | Confident | 57.6 Ų | 57.6 | 39.7 Ų | 39.7 | 27% | 0.269 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 142.2 | 179 | -60.5 | 173 | -22.6 | 0 | 0 | 109.6 | I1322 I1323 D1324 L1635 | I1322-Q1330 HydrophobicContact CG2-CB 3.87Å; I1322-Q1330 HydrophobicContact CG2-CG 4.31Å; I1323-Q1330 CarbonylContact O-C 3.53Å; I1323-Q1330 VanDerWaalsContact O-CA 3.29Å; I1323-Q1330 WeakPolarHBondContact O-CA 3.35Å; D1324-Q1330 HydrophobicContact CB-CG 4.11Å; D1324-Q1330 VanDerWaalsContact CG-CG 3.47Å; D1324-Q1330 WeakPolarHBondContact OD2-CG 3.27Å; D1324-Q1330 PolarHBondContact OD2-NE2 2.92Å; Q1330-L1635 HydrophobicContact CB-CB 4.2Å; Q1330-L1635 HydrophobicContact CB-CD1 4.41Å; Q1330-L1635 PolarHBondContact N-O 3.07Å; Q1330-L1635 WeakPolarHBondContact O-CB 3.39Å; Q1330-L1635 PolarHBondContact O-N 3.38Å |
| 1331 | V | 88.7 | Confident | 87.1 | Confident | 11.4 Ų | 11.4 | 42.6 Ų | 42.6 | 7% | 0.069 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 117.8 | 173.1 | -178.1 | 0 | 0 | 0 | 0 | 108.4 | I1322 I1323 Y1329 L1333 W1632 L1634 L1850 L1856 | I1322-V1331 WeakPolarHBondContact CA-O 3.33Å; I1323-V1331 HydrophobicContact CB-CB 4.49Å; I1323-V1331 PolarHBondContact N-O 3.14Å; I1323-V1331 PolarHBondContact O-N 3.24Å; Y1329-V1331 HydrophobicContact CD1-CG2 4.1Å; Y1329-V1331 HydrophobicContact CE1-CG2 3.41Å; Y1329-V1331 VanDerWaalsContact CE1-CG2 3.41Å; V1331-L1333 HydrophobicContact CG1-CD2 3.95Å; V1331-L1333 HydrophobicContact CG1-CG 4.27Å; V1331-W1632 HydrophobicContact CG1-CB 4.42Å; V1331-W1632 HydrophobicContact CG1-CE3 4.04Å; V1331-L1634 HydrophobicContact CB-CD2 4.49Å; V1331-L1634 HydrophobicContact CG1-CD2 4.37Å; V1331-L1634 HydrophobicContact CG2-CD1 4.09Å; V1331-L1634 HydrophobicContact CG2-CD2 3.83Å; V1331-L1850 HydrophobicContact CB-CD1 3.98Å; V1331-L1850 HydrophobicContact CG2-CD1 3.46Å; V1331-L1850 VanDerWaalsContact CG2-CD1 3.42Å; V1331-L1850 HydrophobicContact CG2-CD2 3.94Å; V1331-L1850 HydrophobicContact CG2-CG 4.37Å; V1331-L1856 HydrophobicContact CG2-CD1 4.36Å |
| 1332 | R | 90.3 | Very high | 86.8 | Confident | 86 Ų | 86 | 43 Ų | 43 | 33% | 0.325 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 127.3 | 170.8 | 176.9 | 175.9 | 168.9 | 161 | -0.7 | 109.4 | S1320 I1321 I1322 D1334 W1632 T1633 L1635 | S1320-R1332 PolarHBondContact OG-NH2 3.24Å; I1321-R1332 CarbonylContact O-C 3.5Å; I1321-R1332 WeakPolarHBondContact O-CA 3.34Å; I1322-R1332 HydrophobicContact CG1-CB 4.34Å; I1322-R1332 HydrophobicContact CG1-CG 4.34Å; R1332-D1334 WeakPolarHBondContact CD-OD2 3.3Å; R1332-D1334 IonicContact CZ-OD1 3.15Å; R1332-D1334 VanDerWaalsContact CZ-OD1 3.26Å; R1332-D1334 IonicContact CZ-OD2 2.73Å; R1332-D1334 VanDerWaalsContact NE-CG 3.29Å; R1332-D1334 IonicContact NE-OD1 3.6Å; R1332-D1334 PolarHBondContact NE-OD1 3.06Å; R1332-D1334 IonicContact NE-OD2 3.3Å; R1332-D1334 PolarHBondContact NE-OD2 3.05Å; R1332-D1334 VanDerWaalsContact NH2-CG 3.31Å; R1332-D1334 IonicContact NH2-OD1 3.27Å; R1332-D1334 PolarHBondContact NH2-OD1 3.23Å; R1332-D1334 IonicContact NH2-OD2 3.4Å; R1332-D1334 PolarHBondContact NH2-OD2 2.9Å; R1332-W1632 CarbonylContact O-C 3.52Å; R1332-W1632 WeakPolarHBondContact O-CA 3.42Å; R1332-W1632 WeakPolarHBondContact O-CB 3.42Å; R1332-T1633 PolarHBondContact N-O 2.92Å; R1332-T1633 PolarHBondContact O-N 3.01Å; R1332-L1635 HydrophobicContact CB-CD1 3.89Å; R1332-L1635 HydrophobicContact CB-CG 4.27Å |
| 1333 | L | 91.2 | Very high | 86.6 | Confident | 15.8 Ų | 15.8 | 40.4 Ų | 40.4 | 8% | 0.083 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 124.4 | 170.8 | -51.9 | 179 | 0 | 0 | 0 | 108.1 | S1320 I1321 I1323 V1331 F1335 L1630 W1632 L1696 F1848 | S1320-L1333 CarbonylContact C-O 3.55Å; S1320-L1333 WeakPolarHBondContact CA-O 3.32Å; S1320-L1333 WeakPolarHBondContact CB-O 3.42Å; I1321-L1333 HydrophobicContact CB-CB 4.46Å; I1321-L1333 PolarHBondContact N-O 3.02Å; I1321-L1333 PolarHBondContact O-N 3.28Å; I1323-L1333 HydrophobicContact CD1-CD1 3.9Å; I1323-L1333 HydrophobicContact CD1-CG 4.47Å; V1331-L1333 HydrophobicContact CG1-CD2 3.95Å; V1331-L1333 HydrophobicContact CG1-CG 4.27Å; L1333-F1335 HydrophobicContact CB-CD2 4.38Å; L1333-F1335 HydrophobicContact CB-CE2 3.85Å; L1333-F1335 HydrophobicContact CB-CZ 4.35Å; L1333-F1335 HydrophobicContact CD1-CE2 4.27Å; L1333-F1335 HydrophobicContact CD1-CZ 4.28Å; L1333-L1630 HydrophobicContact CD2-CD1 4.24Å; L1333-W1632 HydrophobicContact CD2-CB 3.6Å; L1333-W1632 HydrophobicContact CD2-CG 4.49Å; L1333-L1696 HydrophobicContact CD2-CD1 4.29Å; L1333-L1696 HydrophobicContact CD2-CD2 3.76Å; L1333-F1848 HydrophobicContact CD1-CB 4.18Å; L1333-F1848 HydrophobicContact CD1-CD1 3.57Å; L1333-F1848 HydrophobicContact CD1-CD2 4.13Å; L1333-F1848 HydrophobicContact CD1-CE1 3.99Å; L1333-F1848 HydrophobicContact CD1-CE2 4.43Å; L1333-F1848 HydrophobicContact CD1-CG 3.66Å; L1333-F1848 HydrophobicContact CD1-CZ 4.39Å |
| 1334 | D | 90.1 | Very high | 86.3 | Confident | 29.6 Ų | 29.6 | 41.5 Ų | 41.5 | 16% | 0.158 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 118.8 | 172.7 | -70.9 | -47.3 | 0 | 0 | 0 | 108.6 | S1320 R1332 L1630 Q1631 R1645 | S1320-D1334 VanDerWaalsContact CB-OD1 3.27Å; S1320-D1334 WeakPolarHBondContact CB-OD1 3.43Å; R1332-D1334 WeakPolarHBondContact CD-OD2 3.3Å; R1332-D1334 IonicContact CZ-OD1 3.15Å; R1332-D1334 VanDerWaalsContact CZ-OD1 3.26Å; R1332-D1334 IonicContact CZ-OD2 2.73Å; R1332-D1334 VanDerWaalsContact NE-CG 3.29Å; R1332-D1334 IonicContact NE-OD1 3.6Å; R1332-D1334 PolarHBondContact NE-OD1 3.06Å; R1332-D1334 IonicContact NE-OD2 3.3Å; R1332-D1334 PolarHBondContact NE-OD2 3.05Å; R1332-D1334 VanDerWaalsContact NH2-CG 3.31Å; R1332-D1334 IonicContact NH2-OD1 3.27Å; R1332-D1334 PolarHBondContact NH2-OD1 3.23Å; R1332-D1334 IonicContact NH2-OD2 3.4Å; R1332-D1334 PolarHBondContact NH2-OD2 2.9Å; D1334-L1630 CarbonylContact O-C 3.46Å; D1334-L1630 WeakPolarHBondContact O-CA 3.36Å; D1334-L1630 VanDerWaalsContact O-CB 3.3Å; D1334-L1630 WeakPolarHBondContact O-CB 3.35Å; D1334-Q1631 PolarHBondContact N-O 3.1Å; D1334-Q1631 PolarHBondContact O-N 2.82Å; D1334-R1645 IonicContact OD2-CZ 3.28Å; D1334-R1645 IonicContact OD2-NH1 3.3Å; D1334-R1645 PolarHBondContact OD2-NH1 3.28Å; D1334-R1645 IonicContact OD2-NH2 2.89Å; D1334-R1645 PolarHBondContact OD2-NH2 2.93Å |
| 1335 | F | 89.6 | Confident | 86.1 | Confident | 21.6 Ų | 21.6 | 38.7 Ų | 38.7 | 10% | 0.095 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 110.1 | -174.1 | -66.5 | -92.9 | 0 | 0 | 0 | 112.9 | L1307 K1319 I1321 L1333 I1337 L1338 L1630 F1848 | L1307-F1335 HydrophobicContact CD1-CE2 4.06Å; L1307-F1335 HydrophobicContact CD1-CZ 4.15Å; K1319-F1335 HydrophobicContact CB-CB 4.07Å; K1319-F1335 WeakPolarHBondContact CD-O 3.37Å; K1319-F1335 VanDerWaalsContact O-CD2 3.27Å; K1319-F1335 WeakPolarHBondContact O-CD2 3.34Å; K1319-F1335 PolarHBondContact O-N 3.17Å; K1319-F1335 VanDerWaalsContact O-N 3.07Å; I1321-F1335 HydrophobicContact CD1-CE2 3.79Å; I1321-F1335 HydrophobicContact CD1-CZ 4.3Å; I1321-F1335 HydrophobicContact CG1-CE2 4.07Å; L1333-F1335 HydrophobicContact CB-CD2 4.38Å; L1333-F1335 HydrophobicContact CB-CE2 3.85Å; L1333-F1335 HydrophobicContact CB-CZ 4.35Å; L1333-F1335 HydrophobicContact CD1-CE2 4.27Å; L1333-F1335 HydrophobicContact CD1-CZ 4.28Å; F1335-I1337 VanDerWaalsContact C-N 3.26Å; F1335-I1337 PolarHBondContact O-N 3.01Å; F1335-L1338 HydrophobicContact CB-CB 3.98Å; F1335-L1338 HydrophobicContact CB-CD1 4.4Å; F1335-L1338 HydrophobicContact CD1-CB 4.31Å; F1335-L1338 HydrophobicContact CD1-CD1 4.17Å; F1335-L1338 HydrophobicContact CD1-CD2 4.3Å; F1335-L1338 HydrophobicContact CD1-CG 4.39Å; F1335-L1338 HydrophobicContact CD2-CD1 4.18Å; F1335-L1338 HydrophobicContact CD2-CD2 4.14Å; F1335-L1338 HydrophobicContact CE1-CD1 4.13Å; F1335-L1338 HydrophobicContact CE1-CD2 4.42Å; F1335-L1338 HydrophobicContact CG-CD1 4.04Å; F1335-L1630 HydrophobicContact CD1-CB 3.88Å; F1335-L1630 HydrophobicContact CD1-CD2 3.94Å; F1335-L1630 HydrophobicContact CD1-CG 4.48Å; F1335-L1630 HydrophobicContact CE1-CB 4.27Å; F1335-L1630 HydrophobicContact CE1-CD2 3.45Å; F1335-L1630 VanDerWaalsContact CE1-CD2 3.43Å; F1335-L1630 HydrophobicContact CE1-CG 4.45Å; F1335-L1630 HydrophobicContact CE2-CD2 4.49Å; F1335-L1630 HydrophobicContact CG-CB 4.2Å; F1335-L1630 HydrophobicContact CZ-CD2 3.92Å; F1335-F1848 HydrophobicContact CE1-CE1 4.13Å; F1335-F1848 HydrophobicContact CE1-CE2 4.39Å; F1335-F1848 AromaticContact CE1-CZ 3.56Å; F1335-F1848 HydrophobicContact CE1-CZ 3.56Å; F1335-F1848 AromaticContact CZ-CE1 3.89Å; F1335-F1848 HydrophobicContact CZ-CE1 3.98Å; F1335-F1848 AromaticContact CZ-CE2 3.83Å; F1335-F1848 HydrophobicContact CZ-CE2 3.83Å; F1335-F1848 AromaticContact CZ-CZ 3.36Å; F1335-F1848 HydrophobicContact CZ-CZ 3.36Å |
| 1336 | D | 87.2 | Confident | 86.1 | Confident | 96 Ų | 96 | 39.9 Ų | 39.9 | 51% | 0.513 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | -48.7 | 170.4 | -64.2 | -30 | 0 | 0 | 0 | 110.9 | R1629 | D1336-R1629 HydrophobicContact CB-CB 4.37Å; D1336-R1629 HydrophobicContact CB-CG 4.21Å; D1336-R1629 PolarHBondContact N-O 2.97Å; D1336-R1629 WeakPolarHBondContact OD2-CG 3.43Å |
| 1337 | I | 86.2 | Confident | 86.2 | Confident | 64.6 Ų | 64.6 | 40.6 Ų | 40.6 | 33% | 0.331 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 135.3 | -178.2 | -55.2 | 176.1 | 0 | 0 | 0 | 108.6 | F1335 N1339 P1626 Y1628 R1629 | F1335-I1337 VanDerWaalsContact C-N 3.26Å; F1335-I1337 PolarHBondContact O-N 3.01Å; I1337-N1339 WeakPolarHBondContact CG2-ND2 3.38Å; I1337-P1626 HydrophobicContact CB-CG 4.4Å; I1337-P1626 HydrophobicContact CD1-CG 3.93Å; I1337-P1626 HydrophobicContact CG2-CG 4.08Å; I1337-Y1628 CarbonylContact O-C 3.55Å; I1337-Y1628 VanDerWaalsContact O-CA 3.25Å; I1337-Y1628 WeakPolarHBondContact O-CA 3.34Å; I1337-R1629 HydrophobicContact CB-CB 4.05Å; I1337-R1629 HydrophobicContact CD1-CB 4.41Å; I1337-R1629 HydrophobicContact CG1-CB 4.33Å; I1337-R1629 PolarHBondContact N-O 3.19Å; I1337-R1629 PolarHBondContact O-N 3.1Å |
| 1338 | L | 86.2 | Confident | 86.4 | Confident | 16.6 Ų | 16.6 | 44.6 Ų | 44.6 | 9% | 0.087 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 102.8 | 176.5 | -177.3 | 62.9 | 0 | 0 | 0 | 109.3 | L1307 I1312 L1315 K1319 F1335 L1340 L1846 | L1307-L1338 HydrophobicContact CD1-CD1 4.04Å; L1307-L1338 HydrophobicContact CD1-CD2 4.06Å; I1312-L1338 HydrophobicContact CD1-CD2 4.36Å; I1312-L1338 HydrophobicContact CD1-CG 4.33Å; I1312-L1338 HydrophobicContact CG1-CD2 4.1Å; I1312-L1338 HydrophobicContact CG1-CG 4.43Å; I1312-L1338 HydrophobicContact CG2-CD2 4.33Å; L1315-L1338 HydrophobicContact CD1-CD2 3.7Å; K1319-L1338 HydrophobicContact CD-CB 4.12Å; F1335-L1338 HydrophobicContact CB-CB 3.98Å; F1335-L1338 HydrophobicContact CB-CD1 4.4Å; F1335-L1338 HydrophobicContact CD1-CB 4.31Å; F1335-L1338 HydrophobicContact CD1-CD1 4.17Å; F1335-L1338 HydrophobicContact CD1-CD2 4.3Å; F1335-L1338 HydrophobicContact CD1-CG 4.39Å; F1335-L1338 HydrophobicContact CD2-CD1 4.18Å; F1335-L1338 HydrophobicContact CD2-CD2 4.14Å; F1335-L1338 HydrophobicContact CE1-CD1 4.13Å; F1335-L1338 HydrophobicContact CE1-CD2 4.42Å; F1335-L1338 HydrophobicContact CG-CD1 4.04Å; L1338-L1340 HydrophobicContact CD1-CD2 3.8Å; L1338-L1340 HydrophobicContact CD1-CG 4.2Å; L1338-L1340 HydrophobicContact CG-CD2 4.36Å; L1338-L1340 HydrophobicContact CG-CG 4.24Å; L1338-L1846 HydrophobicContact CD1-CD2 3.66Å |
| 1339 | N | 84.9 | Confident | 86.6 | Confident | 57.8 Ų | 57.8 | 44.5 Ų | 44.5 | 31% | 0.309 | 24% | 0.235 | S | C | . | . | trans | -124.2 | 91.1 | 178 | -55.7 | -48.7 | 0 | 0 | 0 | 108.6 | I1337 M1341 V1343 P1626 I1627 | I1337-N1339 WeakPolarHBondContact CG2-ND2 3.38Å; N1339-M1341 VanDerWaalsContact C-N 3.26Å; N1339-M1341 PolarHBondContact O-N 3.18Å; N1339-V1343 HydrophobicContact CB-CG2 4.41Å; N1339-P1626 PolarHBondContact ND2-O 3.09Å; N1339-I1627 CarbonylContact C-O 3.56Å; N1339-I1627 PolarHBondContact N-O 3.25Å; N1339-I1627 WeakPolarHBondContact O-CA 3.36Å; N1339-I1627 WeakPolarHBondContact O-CD1 3.33Å | ||
| 1340 | L | 85.8 | Confident | 86.6 | Confident | 14.8 Ų | 14.8 | 46.6 Ų | 46.6 | 8% | 0.077 | 25% | 0.253 | C | S | . | . | trans | -73.9 | -10.9 | -178.6 | -61.4 | -179.6 | 0 | 0 | 0 | 113.7 | L1307 H1308 P1309 I1312 L1338 I1627 Y1700 P1844 L1846 | L1307-L1340 HydrophobicContact CB-CD1 4.13Å; L1307-L1340 HydrophobicContact CD1-CD1 4.37Å; L1307-L1340 WeakPolarHBondContact O-CD1 3.46Å; H1308-L1340 VanDerWaalsContact C-CD1 3.47Å; H1308-L1340 WeakPolarHBondContact O-CD1 3.36Å; P1309-L1340 HydrophobicContact CG-CB 4.19Å; P1309-L1340 HydrophobicContact CG-CD1 4.41Å; P1309-L1340 VanDerWaalsContact N-CD1 3.34Å; I1312-L1340 HydrophobicContact CD1-CB 4.22Å; I1312-L1340 HydrophobicContact CD1-CD1 3.99Å; I1312-L1340 HydrophobicContact CD1-CG 3.97Å; I1312-L1340 HydrophobicContact CG1-CD1 4.12Å; I1312-L1340 HydrophobicContact CG1-CG 4.4Å; L1338-L1340 HydrophobicContact CD1-CD2 3.8Å; L1338-L1340 HydrophobicContact CD1-CG 4.2Å; L1338-L1340 HydrophobicContact CG-CD2 4.36Å; L1338-L1340 HydrophobicContact CG-CG 4.24Å; L1340-I1627 HydrophobicContact CD2-CG2 4.48Å; L1340-Y1700 WeakPolarHBondContact O-CE2 3.25Å; L1340-Y1700 PolarHBondContact O-OH 3.12Å; L1340-Y1700 VanDerWaalsContact O-OH 3.09Å; L1340-P1844 HydrophobicContact CB-CB 4.46Å; L1340-P1844 HydrophobicContact CB-CG 4.18Å; L1340-P1844 WeakPolarHBondContact O-CB 3.39Å; L1340-P1844 WeakPolarHBondContact O-CG 3.4Å; L1340-L1846 HydrophobicContact CD2-CB 3.52Å; L1340-L1846 VanDerWaalsContact CD2-CB 3.48Å; L1340-L1846 HydrophobicContact CD2-CD2 3.8Å; L1340-L1846 HydrophobicContact CD2-CG 4.26Å | ||
| 1341 | M | 84.3 | Confident | 86.1 | Confident | 81.4 Ų | 81.4 | 47.8 Ų | 47.8 | 40% | 0.401 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -99.9 | 129.3 | 170.9 | -70.6 | 172.4 | 105.5 | 0 | 0 | 109.5 | P527 P1309 N1339 V1343 A1836 P1844 | P527-M1341 HydrophobicContact CB-CE 3.97Å; P527-M1341 HydrophobicContact CB-CG 3.43Å; P527-M1341 VanDerWaalsContact CB-CG 3.43Å; P527-M1341 HydrophobicContact CB-SD 4.34Å; P527-M1341 HydrophobicContact CG-CE 3.69Å; P527-M1341 HydrophobicContact CG-CG 3.42Å; P527-M1341 VanDerWaalsContact CG-CG 3.42Å; P527-M1341 HydrophobicContact CG-SD 3.84Å; P1309-M1341 HydrophobicContact CB-CE 4.15Å; P1309-M1341 HydrophobicContact CB-CG 4.07Å; P1309-M1341 HydrophobicContact CB-SD 4.15Å; P1309-M1341 HydrophobicContact CG-CE 4.2Å; P1309-M1341 HydrophobicContact CG-CG 3.88Å; P1309-M1341 HydrophobicContact CG-SD 4.47Å; N1339-M1341 VanDerWaalsContact C-N 3.26Å; N1339-M1341 PolarHBondContact O-N 3.18Å; M1341-V1343 PolarHBondContact O-N 3.11Å; M1341-A1836 HydrophobicContact CB-CB 4.46Å; M1341-A1836 HydrophobicContact CE-CB 3.94Å; M1341-P1844 HydrophobicContact CG-CG 4.43Å |
| 1342 | P | 83.2 | Confident | 85.6 | Confident | 28.8 Ų | 28.8 | 48.3 Ų | 48.3 | 19% | 0.187 | 27% | 0.272 | C | S | . | . | trans | -61.1 | 130.7 | 171.4 | -3.4 | 8.8 | 0 | 0 | 0 | 110.5 | I1627 L1652 Y1700 L1707 A1836 V1837 | P1342-I1627 HydrophobicContact CB-CD1 4.42Å; P1342-I1627 HydrophobicContact CG-CD1 4.22Å; P1342-L1652 HydrophobicContact CB-CD1 3.69Å; P1342-L1652 HydrophobicContact CG-CD1 3.9Å; P1342-Y1700 WeakPolarHBondContact CD-OH 3.15Å; P1342-Y1700 WeakPolarHBondContact CG-OH 3.31Å; P1342-L1707 HydrophobicContact CB-CD2 3.98Å; P1342-L1707 HydrophobicContact CG-CD2 4.02Å; P1342-A1836 WeakPolarHBondContact O-CA 3.39Å; P1342-V1837 HydrophobicContact CB-CG2 3.92Å; P1342-V1837 WeakPolarHBondContact CD-O 3.43Å; P1342-V1837 HydrophobicContact CG-CG2 4.4Å; P1342-V1837 PolarHBondContact O-N 2.95Å | ||
| 1343 | V | 84 | Confident | 85.4 | Confident | 39 Ų | 39 | 46.1 Ų | 46.1 | 24% | 0.236 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 121.4 | 172.3 | -176.6 | 0 | 0 | 0 | 0 | 108.5 | N1339 M1341 A1622 R1625 L1830 M1834 Y1835 | N1339-V1343 HydrophobicContact CB-CG2 4.41Å; M1341-V1343 PolarHBondContact O-N 3.11Å; V1343-A1622 WeakPolarHBondContact O-CB 3.41Å; V1343-A1622 PolarHBondContact O-N 2.89Å; V1343-R1625 HydrophobicContact CB-CB 3.99Å; V1343-R1625 HydrophobicContact CB-CG 4.32Å; V1343-R1625 HydrophobicContact CG1-CB 4.41Å; V1343-R1625 HydrophobicContact CG1-CG 4.28Å; V1343-R1625 HydrophobicContact CG2-CB 4.29Å; V1343-R1625 HydrophobicContact CG2-CG 4.47Å; V1343-L1830 HydrophobicContact CG1-CD1 3.86Å; V1343-L1830 HydrophobicContact CG2-CD1 3.91Å; V1343-M1834 HydrophobicContact CG1-CB 4.04Å; V1343-M1834 HydrophobicContact CG1-CE 3.88Å; V1343-Y1835 CarbonylContact C-O 3.55Å; V1343-Y1835 WeakPolarHBondContact CA-O 3.48Å |
| 1344 | L | 84.5 | Confident | 85.1 | Confident | 38.4 Ų | 38.4 | 45.7 Ų | 45.7 | 20% | 0.201 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 137.4 | 175.2 | -53.2 | -179.7 | 0 | 0 | 0 | 109.2 | V1619 H1620 P1621 L1707 P1708 I1711 M1834 Y1835 V1837 | L1344-V1619 HydrophobicContact CB-CB 4.09Å; L1344-V1619 HydrophobicContact CB-CG2 4.21Å; L1344-V1619 HydrophobicContact CD1-CG2 3.92Å; L1344-H1620 CarbonylContact C-O 3.45Å; L1344-H1620 VanDerWaalsContact CA-O 3.31Å; L1344-H1620 WeakPolarHBondContact CA-O 3.31Å; L1344-P1621 HydrophobicContact CD2-CB 4.34Å; L1344-P1621 HydrophobicContact CD2-CG 4.12Å; L1344-L1707 HydrophobicContact CD2-CD2 4.45Å; L1344-P1708 HydrophobicContact CD1-CG 3.77Å; L1344-P1708 WeakPolarHBondContact CD1-O 3.46Å; L1344-I1711 HydrophobicContact CD1-CD1 4.2Å; L1344-M1834 WeakPolarHBondContact O-CA 3.23Å; L1344-Y1835 PolarHBondContact N-O 3.19Å; L1344-Y1835 PolarHBondContact O-N 3.13Å; L1344-V1837 HydrophobicContact CD1-CG1 3.77Å; L1344-V1837 HydrophobicContact CD1-CG2 4.09Å; L1344-V1837 HydrophobicContact CG-CG1 4.32Å; L1344-V1837 HydrophobicContact CG-CG2 4.21Å |
| 1345 | G | 85 | Confident | 85.1 | Confident | 15.8 Ų | 15.8 | 45.7 Ų | 45.7 | 16% | 0.163 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 159.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | V1619 H1620 M1834 | G1345-V1619 CarbonylContact O-C 3.52Å; G1345-V1619 VanDerWaalsContact O-CA 3.24Å; G1345-V1619 WeakPolarHBondContact O-CA 3.37Å; G1345-V1619 WeakPolarHBondContact O-CB 3.24Å; G1345-H1620 PolarHBondContact N-O 3.09Å; G1345-H1620 PolarHBondContact O-N 3.12Å; G1345-H1620 PolarHBondContact O-ND1 2.9Å; G1345-M1834 VanDerWaalsContact CA-SD 3.56Å |
| 1346 | P | 85.5 | Confident | 84.8 | Confident | 59 Ų | 59 | 49.4 Ų | 49.4 | 38% | 0.383 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 141 | 178.5 | 29.8 | -35 | 0 | 0 | 0 | 110.8 | P1403 H1618 H1620 Y1833 | P1346-P1403 HydrophobicContact CB-CG 3.72Å; P1346-P1403 HydrophobicContact CG-CG 3.89Å; P1346-H1618 WeakPolarHBondContact CA-O 3.35Å; P1346-H1620 PolarHBondContact O-CE1 3.38Å; P1346-Y1833 WeakPolarHBondContact CD-O 3.22Å |
| 1347 | V | 85.9 | Confident | 84.7 | Confident | 40.8 Ų | 40.8 | 46.8 Ų | 46.8 | 25% | 0.247 | 27% | 0.267 | C | S | . | . | trans | -79.5 | 136.8 | 168.8 | -177.3 | 0 | 0 | 0 | 0 | 108.6 | H1349 Y1404 H1618 H1620 | V1347-H1349 WeakPolarHBondContact CG1-NE2 3.31Å; V1347-H1349 PolarHBondContact O-CD2 2.99Å; V1347-H1349 VanDerWaalsContact O-CD2 3.28Å; V1347-H1349 PolarHBondContact O-N 3.09Å; V1347-Y1404 WeakPolarHBondContact O-CD2 3.29Å; V1347-H1618 HydrophobicContact CB-CB 4.41Å; V1347-H1618 WeakPolarHBondContact CB-ND1 3.45Å; V1347-H1618 HydrophobicContact CG2-CB 4.27Å; V1347-H1618 VanDerWaalsContact CG2-CD2 3.43Å; V1347-H1618 WeakPolarHBondContact CG2-CD2 3.48Å; V1347-H1618 VanDerWaalsContact CG2-ND1 3.29Å; V1347-H1618 WeakPolarHBondContact CG2-ND1 3.42Å; V1347-H1618 PolarHBondContact N-O 2.92Å; V1347-H1620 HydrophobicContact CG2-CB 4.08Å; V1347-H1620 WeakPolarHBondContact CG2-CD2 3.33Å | ||
| 1348 | D | 86.3 | Confident | 84.6 | Confident | 101.4 Ų | 101.4 | 44.9 Ų | 44.9 | 54% | 0.542 | 26% | 0.257 | S | S | . | . | trans | -74.2 | 116.4 | 177.8 | -174.1 | 29.3 | 0 | 0 | 0 | 111.7 | S1350 Y1404 | D1348-S1350 VanDerWaalsContact CG-OG 3.27Å; D1348-S1350 WeakPolarHBondContact OD1-CA 3.44Å; D1348-S1350 VanDerWaalsContact OD1-CB 3.3Å; D1348-S1350 WeakPolarHBondContact OD1-CB 3.38Å; D1348-S1350 PolarHBondContact OD1-N 3.26Å; D1348-S1350 VanDerWaalsContact OD1-N 3.11Å; D1348-S1350 PolarHBondContact OD1-OG 3.22Å; D1348-S1350 VanDerWaalsContact OD1-OG 3.13Å; D1348-S1350 WeakPolarHBondContact OD2-CB 3.2Å; D1348-S1350 PolarHBondContact OD2-OG 3.24Å; D1348-S1350 VanDerWaalsContact OD2-OG 3.06Å; D1348-Y1404 VanDerWaalsContact OD1-CE2 3.25Å; D1348-Y1404 WeakPolarHBondContact OD1-CE2 3.39Å; D1348-Y1404 VanDerWaalsContact OD1-CZ 3.3Å; D1348-Y1404 PolarHBondContact OD1-OH 2.94Å; D1348-Y1404 VanDerWaalsContact OD1-OH 3.05Å | ||
| 1349 | H | 86.4 | Confident | 84.6 | Confident | 34.6 Ų | 34.6 | 47.1 Ų | 47.1 | 16% | 0.16 | 27% | 0.269 | C | S | . | . | trans | -117.8 | 25.1 | 173.6 | -68.9 | -70.5 | 0 | 0 | 0 | 111.5 | V1347 S1351 S1352 N1353 Y1404 H1618 P1783 L1784 | V1347-H1349 WeakPolarHBondContact CG1-NE2 3.31Å; V1347-H1349 PolarHBondContact O-CD2 2.99Å; V1347-H1349 VanDerWaalsContact O-CD2 3.28Å; V1347-H1349 PolarHBondContact O-N 3.09Å; H1349-S1351 PolarHBondContact O-N 3.25Å; H1349-S1351 VanDerWaalsContact O-N 3.09Å; H1349-S1352 CarbonylContact O-C 3.5Å; H1349-S1352 VanDerWaalsContact O-C 3.3Å; H1349-S1352 PolarHBondContact O-N 2.82Å; H1349-N1353 HydrophobicContact CB-CB 4.34Å; H1349-N1353 WeakPolarHBondContact O-CB 3.12Å; H1349-N1353 PolarHBondContact O-N 3.48Å; H1349-N1353 PolarHBondContact O-ND2 2.95Å; H1349-Y1404 HydrophobicContact CB-CD1 4.25Å; H1349-Y1404 HydrophobicContact CB-CD2 3.95Å; H1349-Y1404 HydrophobicContact CB-CG 3.78Å; H1349-Y1404 VanDerWaalsContact N-CE2 3.28Å; H1349-H1618 AromaticContact CE1-ND1 3.76Å; H1349-H1618 AromaticContact NE2-CE1 3.93Å; H1349-H1618 AromaticContact NE2-CG 3.85Å; H1349-H1618 AromaticContact NE2-ND1 3.1Å; H1349-H1618 PolarHBondContact NE2-ND1 3.22Å; H1349-H1618 VanDerWaalsContact NE2-ND1 3.11Å; H1349-P1783 PolarHBondContact CE1-O 3.1Å; H1349-P1783 PolarHBondContact NE2-O 3.31Å; H1349-L1784 HydrophobicContact CB-CD1 3.88Å | ||
| 1350 | S | 84.7 | Confident | 84.5 | Confident | 66.6 Ų | 66.6 | 45.8 Ų | 45.8 | 47% | 0.466 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.4 | -40.7 | 177 | 54.7 | 0 | 0 | 0 | 0 | 113.9 | D1348 N1353 Y1404 | D1348-S1350 VanDerWaalsContact CG-OG 3.27Å; D1348-S1350 WeakPolarHBondContact OD1-CA 3.44Å; D1348-S1350 VanDerWaalsContact OD1-CB 3.3Å; D1348-S1350 WeakPolarHBondContact OD1-CB 3.38Å; D1348-S1350 PolarHBondContact OD1-N 3.26Å; D1348-S1350 VanDerWaalsContact OD1-N 3.11Å; D1348-S1350 PolarHBondContact OD1-OG 3.22Å; D1348-S1350 VanDerWaalsContact OD1-OG 3.13Å; D1348-S1350 WeakPolarHBondContact OD2-CB 3.2Å; D1348-S1350 PolarHBondContact OD2-OG 3.24Å; D1348-S1350 VanDerWaalsContact OD2-OG 3.06Å; S1350-N1353 PolarHBondContact O-ND2 3.09Å; S1350-N1353 VanDerWaalsContact O-ND2 3.15Å; S1350-Y1404 WeakPolarHBondContact CA-OH 3.23Å; S1350-Y1404 VanDerWaalsContact CB-OH 3.26Å; S1350-Y1404 WeakPolarHBondContact CB-OH 3.42Å; S1350-Y1404 PolarHBondContact N-OH 2.9Å |
| 1351 | S | 78.6 | Confident | 84.2 | Confident | 84.4 Ų | 84.4 | 46.3 Ų | 46.3 | 59% | 0.59 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -10.3 | -177.5 | 68.2 | 0 | 0 | 0 | 0 | 115.5 | H1349 R1793 | H1349-S1351 PolarHBondContact O-N 3.25Å; H1349-S1351 VanDerWaalsContact O-N 3.09Å; S1351-R1793 PolarHBondContact O-NH2 2.99Å |
| 1352 | S | 78.3 | Confident | 84 | Confident | 22 Ų | 22 | 42.9 Ų | 42.9 | 15% | 0.154 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -157.9 | 85.9 | -174.2 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | Y656 H1349 L1784 S1787 S1789 | Y656-S1352 PolarHBondContact O-OG 3.39Å; H1349-S1352 CarbonylContact O-C 3.5Å; H1349-S1352 VanDerWaalsContact O-C 3.3Å; H1349-S1352 PolarHBondContact O-N 2.82Å; S1352-L1784 PolarHBondContact OG-O 3.26Å; S1352-S1787 WeakPolarHBondContact OG-CB 3.21Å; S1352-S1787 PolarHBondContact OG-OG 3.14Å; S1352-S1789 VanDerWaalsContact CA-OG 3.32Å; S1352-S1789 WeakPolarHBondContact CA-OG 3.3Å |
| 1353 | N | 85.9 | Confident | 83.9 | Confident | 39.2 Ų | 39.2 | 43.7 Ų | 43.7 | 21% | 0.21 | 26% | 0.261 | C | S | . | . | trans | -143.1 | 163.1 | 179.9 | 61.9 | 77.3 | 0 | 0 | 0 | 112 | H1349 S1350 N1355 Y1404 L1784 S1789 | H1349-N1353 HydrophobicContact CB-CB 4.34Å; H1349-N1353 WeakPolarHBondContact O-CB 3.12Å; H1349-N1353 PolarHBondContact O-N 3.48Å; H1349-N1353 PolarHBondContact O-ND2 2.95Å; S1350-N1353 PolarHBondContact O-ND2 3.09Å; S1350-N1353 VanDerWaalsContact O-ND2 3.15Å; N1353-N1355 VanDerWaalsContact C-N 3.27Å; N1353-N1355 PolarHBondContact O-N 3.2Å; N1353-N1355 VanDerWaalsContact OD1-CB 3.28Å; N1353-N1355 WeakPolarHBondContact OD1-CB 3.33Å; N1353-N1355 VanDerWaalsContact OD1-CG 3.24Å; N1353-N1355 PolarHBondContact OD1-N 2.9Å; N1353-N1355 PolarHBondContact OD1-ND2 3.41Å; N1353-N1355 PolarHBondContact OD1-OD1 3.09Å; N1353-Y1404 HydrophobicContact CB-CD1 4.05Å; N1353-L1784 HydrophobicContact CB-CD1 4.35Å; N1353-S1789 PolarHBondContact N-OG 3.06Å; N1353-S1789 PolarHBondContact O-OG 3.44Å | ||
| 1354 | D | 85.3 | Confident | 83.5 | Confident | 7.4 Ų | 7.4 | 45.9 Ų | 45.9 | 4% | 0.04 | 27% | 0.271 | C | S | . | . | trans | -107.2 | 24.4 | -178.4 | -63 | -36.9 | 0 | 0 | 0 | 112.2 | H1356 L1357 F1358 Y1410 W1609 S1787 T1788 S1789 | D1354-H1356 VanDerWaalsContact C-N 3.28Å; D1354-H1356 PolarHBondContact O-N 3.19Å; D1354-H1356 VanDerWaalsContact O-N 3.12Å; D1354-L1357 HydrophobicContact CB-CB 4.47Å; D1354-L1357 HydrophobicContact CB-CD1 4.44Å; D1354-L1357 WeakPolarHBondContact O-CA 3.3Å; D1354-L1357 WeakPolarHBondContact O-CB 3.05Å; D1354-L1357 PolarHBondContact O-N 3.06Å; D1354-L1357 VanDerWaalsContact O-N 3.07Å; D1354-F1358 PolarHBondContact O-N 3.22Å; D1354-Y1410 VanDerWaalsContact OD2-CE1 3.28Å; D1354-Y1410 WeakPolarHBondContact OD2-CE1 3.38Å; D1354-Y1410 PolarHBondContact OD2-OH 2.99Å; D1354-Y1410 VanDerWaalsContact OD2-OH 3.13Å; D1354-W1609 HydrophobicContact CB-CH2 4.4Å; D1354-W1609 HydrophobicContact CB-CZ2 4.1Å; D1354-S1787 WeakPolarHBondContact OD1-CB 3.42Å; D1354-T1788 WeakPolarHBondContact OD1-CA 3.29Å; D1354-T1788 VanDerWaalsContact OD1-CB 3.3Å; D1354-T1788 WeakPolarHBondContact OD1-CB 3.22Å; D1354-T1788 PolarHBondContact OD1-N 2.68Å; D1354-T1788 PolarHBondContact OD1-OG1 2.99Å; D1354-T1788 PolarHBondContact OD2-N 3Å; D1354-S1789 PolarHBondContact OD1-N 3.44Å | ||
| 1355 | N | 88.7 | Confident | 83 | Confident | 29.2 Ų | 29.2 | 46.9 Ų | 46.9 | 16% | 0.156 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.9 | -35.2 | -174.1 | -71.3 | 9.4 | 0 | 0 | 0 | 113.1 | N1353 L1357 F1358 L1359 L1398 P1403 P1405 | N1353-N1355 VanDerWaalsContact C-N 3.27Å; N1353-N1355 PolarHBondContact O-N 3.2Å; N1353-N1355 VanDerWaalsContact OD1-CB 3.28Å; N1353-N1355 WeakPolarHBondContact OD1-CB 3.33Å; N1353-N1355 VanDerWaalsContact OD1-CG 3.24Å; N1353-N1355 PolarHBondContact OD1-N 2.9Å; N1353-N1355 PolarHBondContact OD1-ND2 3.41Å; N1353-N1355 PolarHBondContact OD1-OD1 3.09Å; N1355-L1357 VanDerWaalsContact C-N 3.34Å; N1355-F1358 WeakPolarHBondContact O-CB 3.31Å; N1355-F1358 PolarHBondContact O-N 2.96Å; N1355-L1359 WeakPolarHBondContact O-CB 3.39Å; N1355-L1359 WeakPolarHBondContact O-CG 3.43Å; N1355-L1359 PolarHBondContact O-N 3.2Å; N1355-L1359 VanDerWaalsContact O-N 3.11Å; N1355-L1398 HydrophobicContact CB-CD1 4.4Å; N1355-L1398 HydrophobicContact CB-CD2 4.37Å; N1355-P1403 PolarHBondContact ND2-O 2.92Å; N1355-P1405 WeakPolarHBondContact OD1-CD 3.33Å |
| 1356 | H | 84.2 | Confident | 82.4 | Confident | 99.8 Ų | 99.8 | 47 Ų | 47 | 46% | 0.462 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.8 | -37.4 | 176.5 | 115.1 | -80.3 | 0 | 0 | 0 | 112.1 | D1354 L1359 S1360 | D1354-H1356 VanDerWaalsContact C-N 3.28Å; D1354-H1356 PolarHBondContact O-N 3.19Å; D1354-H1356 VanDerWaalsContact O-N 3.12Å; H1356-L1359 PolarHBondContact O-N 2.88Å; H1356-S1360 WeakPolarHBondContact O-CB 3.36Å; H1356-S1360 PolarHBondContact O-N 2.81Å; H1356-S1360 PolarHBondContact O-OG 3.05Å |
| 1357 | L | 83.8 | Confident | 81.6 | Confident | 40.2 Ų | 40.2 | 50.2 Ų | 50.2 | 21% | 0.21 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -75.2 | -31.9 | 176.1 | -62.7 | 177.7 | 0 | 0 | 0 | 112 | D1354 N1355 L1359 S1360 A1361 P1487 P1607 W1609 T1788 | D1354-L1357 HydrophobicContact CB-CB 4.47Å; D1354-L1357 HydrophobicContact CB-CD1 4.44Å; D1354-L1357 WeakPolarHBondContact O-CA 3.3Å; D1354-L1357 WeakPolarHBondContact O-CB 3.05Å; D1354-L1357 PolarHBondContact O-N 3.06Å; D1354-L1357 VanDerWaalsContact O-N 3.07Å; N1355-L1357 VanDerWaalsContact C-N 3.34Å; L1357-L1359 PolarHBondContact O-N 3.3Å; L1357-S1360 WeakPolarHBondContact CA-OG 3.31Å; L1357-S1360 PolarHBondContact O-N 3.49Å; L1357-S1360 PolarHBondContact O-OG 2.9Å; L1357-S1360 VanDerWaalsContact O-OG 3.14Å; L1357-A1361 WeakPolarHBondContact O-CB 3.41Å; L1357-A1361 PolarHBondContact O-N 2.92Å; L1357-P1487 HydrophobicContact CD2-CG 4.36Å; L1357-P1607 HydrophobicContact CB-CG 3.85Å; L1357-P1607 HydrophobicContact CD1-CG 3.64Å; L1357-P1607 HydrophobicContact CG-CG 4.4Å; L1357-W1609 PolarHBondContact O-NE1 3.15Å; L1357-T1788 HydrophobicContact CD1-CG2 3.54Å; L1357-T1788 VanDerWaalsContact CD1-OG1 3.27Å; L1357-T1788 WeakPolarHBondContact CD1-OG1 3.33Å |
| 1358 | F | 85.6 | Confident | 80.4 | Confident | 25.2 Ų | 25.2 | 51.5 Ų | 51.5 | 11% | 0.111 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.5 | -45.9 | 171 | -178.5 | -114.6 | 0 | 0 | 0 | 111.6 | D1354 N1355 A1361 A1362 A1394 T1397 L1398 P1405 W1609 | D1354-F1358 PolarHBondContact O-N 3.22Å; N1355-F1358 WeakPolarHBondContact O-CB 3.31Å; N1355-F1358 PolarHBondContact O-N 2.96Å; F1358-A1361 PolarHBondContact O-N 2.71Å; F1358-A1362 PolarHBondContact O-N 3.05Å; F1358-A1362 VanDerWaalsContact O-N 3.13Å; F1358-A1394 HydrophobicContact CD1-CB 4.13Å; F1358-A1394 HydrophobicContact CE1-CB 3.64Å; F1358-A1394 HydrophobicContact CZ-CB 4.1Å; F1358-T1397 HydrophobicContact CE1-CG2 4.32Å; F1358-T1397 HydrophobicContact CZ-CG2 4.26Å; F1358-L1398 HydrophobicContact CD1-CD1 4.23Å; F1358-L1398 HydrophobicContact CD1-CD2 4.3Å; F1358-L1398 HydrophobicContact CD1-CG 4.14Å; F1358-L1398 HydrophobicContact CE1-CD2 4.08Å; F1358-L1398 HydrophobicContact CE1-CG 4.22Å; F1358-P1405 HydrophobicContact CB-CG 4.2Å; F1358-P1405 HydrophobicContact CD1-CB 4.29Å; F1358-P1405 HydrophobicContact CD1-CG 3.73Å; F1358-P1405 HydrophobicContact CD2-CB 4.24Å; F1358-P1405 HydrophobicContact CD2-CG 4.13Å; F1358-P1405 HydrophobicContact CE1-CB 4.31Å; F1358-P1405 HydrophobicContact CE1-CG 3.86Å; F1358-P1405 HydrophobicContact CE2-CB 4.25Å; F1358-P1405 HydrophobicContact CE2-CG 4.41Å; F1358-P1405 HydrophobicContact CG-CB 4.29Å; F1358-P1405 HydrophobicContact CG-CG 3.99Å; F1358-P1405 HydrophobicContact CZ-CB 4.31Å; F1358-P1405 HydrophobicContact CZ-CG 4.25Å; F1358-W1609 HydrophobicContact CB-CD2 4.46Å; F1358-W1609 HydrophobicContact CB-CH2 3.82Å; F1358-W1609 HydrophobicContact CB-CZ2 3.65Å; F1358-W1609 HydrophobicContact CB-CZ3 4.33Å; F1358-W1609 AromaticContact CD2-CD2 3.77Å; F1358-W1609 HydrophobicContact CD2-CD2 3.77Å; F1358-W1609 AromaticContact CD2-CE2 3.92Å; F1358-W1609 AromaticContact CD2-CE3 3.52Å; F1358-W1609 HydrophobicContact CD2-CE3 3.52Å; F1358-W1609 VanDerWaalsContact CD2-CE3 3.45Å; F1358-W1609 HydrophobicContact CD2-CG 4.46Å; F1358-W1609 AromaticContact CD2-CH2 3.75Å; F1358-W1609 HydrophobicContact CD2-CH2 4.01Å; F1358-W1609 AromaticContact CD2-CZ2 3.97Å; F1358-W1609 HydrophobicContact CD2-CZ2 4.24Å; F1358-W1609 AromaticContact CD2-CZ3 3.63Å; F1358-W1609 HydrophobicContact CD2-CZ3 3.63Å; F1358-W1609 VanDerWaalsContact CD2-CZ3 3.48Å; F1358-W1609 HydrophobicContact CE2-CD2 4.41Å; F1358-W1609 AromaticContact CE2-CE3 3.93Å; F1358-W1609 HydrophobicContact CE2-CE3 4.11Å; F1358-W1609 HydrophobicContact CE2-CZ3 4.34Å; F1358-W1609 HydrophobicContact CG-CE3 4.48Å; F1358-W1609 HydrophobicContact CG-CH2 4.27Å; F1358-W1609 HydrophobicContact CG-CZ2 4.24Å; F1358-W1609 HydrophobicContact CG-CZ3 4.31Å |
| 1359 | L | 85.3 | Confident | 78.9 | Confident | 64 Ų | 64 | 51.9 Ų | 51.9 | 34% | 0.335 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.6 | -41.5 | 176.2 | -73.9 | 171.9 | 0 | 0 | 0 | 112.8 | N1355 H1356 L1357 A1361 A1362 S1363 A1394 N1395 L1398 | N1355-L1359 WeakPolarHBondContact O-CB 3.39Å; N1355-L1359 WeakPolarHBondContact O-CG 3.43Å; N1355-L1359 PolarHBondContact O-N 3.2Å; N1355-L1359 VanDerWaalsContact O-N 3.11Å; H1356-L1359 PolarHBondContact O-N 2.88Å; L1357-L1359 PolarHBondContact O-N 3.3Å; L1359-A1361 VanDerWaalsContact C-N 3.3Å; L1359-A1361 PolarHBondContact O-N 2.85Å; L1359-A1362 WeakPolarHBondContact O-CB 3.4Å; L1359-A1362 PolarHBondContact O-N 2.94Å; L1359-S1363 PolarHBondContact O-N 2.92Å; L1359-A1394 HydrophobicContact CD2-CB 4.06Å; L1359-N1395 WeakPolarHBondContact CD2-OD1 3.43Å; L1359-L1398 HydrophobicContact CD1-CD1 3.8Å; L1359-L1398 HydrophobicContact CD2-CD1 3.87Å; L1359-L1398 HydrophobicContact CG-CD1 3.74Å |
| 1360 | S | 82.7 | Confident | 77.1 | Confident | 30.6 Ų | 30.6 | 57.1 Ų | 57.1 | 21% | 0.214 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.8 | -38.3 | 177.6 | 70.8 | 0 | 0 | 0 | 0 | 112.1 | H1356 L1357 A1362 S1363 L1364 | H1356-S1360 WeakPolarHBondContact O-CB 3.36Å; H1356-S1360 PolarHBondContact O-N 2.81Å; H1356-S1360 PolarHBondContact O-OG 3.05Å; L1357-S1360 WeakPolarHBondContact CA-OG 3.31Å; L1357-S1360 PolarHBondContact O-N 3.49Å; L1357-S1360 PolarHBondContact O-OG 2.9Å; L1357-S1360 VanDerWaalsContact O-OG 3.14Å; S1360-A1362 VanDerWaalsContact C-N 3.32Å; S1360-A1362 PolarHBondContact O-N 2.92Å; S1360-S1363 WeakPolarHBondContact CA-OG 3.34Å; S1360-S1363 PolarHBondContact O-N 2.98Å; S1360-S1363 VanDerWaalsContact O-N 3.1Å; S1360-S1363 PolarHBondContact O-OG 2.89Å; S1360-L1364 WeakPolarHBondContact O-CB 3.31Å; S1360-L1364 VanDerWaalsContact O-CG 3.31Å; S1360-L1364 WeakPolarHBondContact O-CG 3.38Å; S1360-L1364 PolarHBondContact O-N 3.06Å |
| 1361 | A | 80.3 | Confident | 75.3 | Confident | 25.4 Ų | 25.4 | 60 Ų | 60 | 21% | 0.21 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.9 | -39.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | L1357 F1358 L1359 L1364 L1365 W1609 | L1357-A1361 WeakPolarHBondContact O-CB 3.41Å; L1357-A1361 PolarHBondContact O-N 2.92Å; F1358-A1361 PolarHBondContact O-N 2.71Å; L1359-A1361 VanDerWaalsContact C-N 3.3Å; L1359-A1361 PolarHBondContact O-N 2.85Å; A1361-L1364 PolarHBondContact O-N 3.13Å; A1361-L1365 WeakPolarHBondContact O-CG 3.36Å; A1361-L1365 PolarHBondContact O-N 2.92Å; A1361-L1365 VanDerWaalsContact O-N 3.11Å; A1361-W1609 VanDerWaalsContact CB-CD1 3.46Å; A1361-W1609 HydrophobicContact CB-CG 4.31Å |
| 1362 | A | 80.7 | Confident | 73.8 | Confident | 8.6 Ų | 8.6 | 61 Ų | 61 | 7% | 0.071 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.4 | -41.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1358 L1359 S1360 L1364 L1365 D1366 Y1390 A1394 | F1358-A1362 PolarHBondContact O-N 3.05Å; F1358-A1362 VanDerWaalsContact O-N 3.13Å; L1359-A1362 WeakPolarHBondContact O-CB 3.4Å; L1359-A1362 PolarHBondContact O-N 2.94Å; S1360-A1362 VanDerWaalsContact C-N 3.32Å; S1360-A1362 PolarHBondContact O-N 2.92Å; A1362-L1364 VanDerWaalsContact C-N 3.35Å; A1362-L1364 PolarHBondContact O-N 3.49Å; A1362-L1365 PolarHBondContact O-N 3.05Å; A1362-D1366 PolarHBondContact O-N 3.14Å; A1362-D1366 VanDerWaalsContact O-N 3.09Å; A1362-Y1390 WeakPolarHBondContact O-CB 3.15Å; A1362-A1394 HydrophobicContact CB-CB 3.61Å |
| 1363 | S | 80.3 | Confident | 72.3 | Confident | 45.2 Ų | 45.2 | 66.7 Ų | 66.7 | 32% | 0.316 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.6 | -34.8 | 175.7 | 169.4 | 0 | 0 | 0 | 0 | 113.1 | L1359 S1360 L1365 D1366 Q1367 S1391 | L1359-S1363 PolarHBondContact O-N 2.92Å; S1360-S1363 WeakPolarHBondContact CA-OG 3.34Å; S1360-S1363 PolarHBondContact O-N 2.98Å; S1360-S1363 VanDerWaalsContact O-N 3.1Å; S1360-S1363 PolarHBondContact O-OG 2.89Å; S1363-L1365 VanDerWaalsContact C-N 3.34Å; S1363-L1365 PolarHBondContact O-N 3.31Å; S1363-D1366 WeakPolarHBondContact O-CB 3.47Å; S1363-D1366 PolarHBondContact O-N 3.04Å; S1363-Q1367 WeakPolarHBondContact O-CB 3.19Å; S1363-Q1367 VanDerWaalsContact O-CG 3.28Å; S1363-Q1367 WeakPolarHBondContact O-CG 3.23Å; S1363-Q1367 PolarHBondContact O-N 3.08Å; S1363-Q1367 VanDerWaalsContact O-N 3.09Å; S1363-Q1367 PolarHBondContact O-NE2 3.25Å; S1363-Q1367 PolarHBondContact OG-NE2 2.95Å; S1363-S1391 VanDerWaalsContact CA-OG 3.32Å; S1363-S1391 WeakPolarHBondContact CA-OG 3.39Å; S1363-S1391 PolarHBondContact N-OG 2.9Å |
| 1364 | L | 76.2 | Confident | 70.4 | Confident | 86.6 Ų | 86.6 | 67.5 Ų | 67.5 | 45% | 0.453 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -69.2 | -34.6 | 174.5 | -73.9 | 169.5 | 0 | 0 | 0 | 111.7 | S1360 A1361 A1362 D1366 Q1367 S1368 P1766 | S1360-L1364 WeakPolarHBondContact O-CB 3.31Å; S1360-L1364 VanDerWaalsContact O-CG 3.31Å; S1360-L1364 WeakPolarHBondContact O-CG 3.38Å; S1360-L1364 PolarHBondContact O-N 3.06Å; A1361-L1364 PolarHBondContact O-N 3.13Å; A1362-L1364 VanDerWaalsContact C-N 3.35Å; A1362-L1364 PolarHBondContact O-N 3.49Å; L1364-D1366 VanDerWaalsContact C-N 3.35Å; L1364-Q1367 PolarHBondContact O-N 3.17Å; L1364-S1368 VanDerWaalsContact O-CB 3.29Å; L1364-S1368 WeakPolarHBondContact O-CB 3.34Å; L1364-S1368 PolarHBondContact O-N 2.89Å; L1364-S1368 VanDerWaalsContact O-N 3.14Å; L1364-S1368 PolarHBondContact O-OG 3.2Å; L1364-P1766 HydrophobicContact CD1-CG 4.39Å |
| 1365 | L | 73.8 | Confident | 68.8 | Low | 59.6 Ų | 59.6 | 74.7 Ų | 74.7 | 31% | 0.312 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.5 | -42.8 | 172.7 | -73.4 | 169.9 | 0 | 0 | 0 | 111.8 | A1361 A1362 S1363 Q1367 S1368 L1369 Y1390 | A1361-L1365 WeakPolarHBondContact O-CG 3.36Å; A1361-L1365 PolarHBondContact O-N 2.92Å; A1361-L1365 VanDerWaalsContact O-N 3.11Å; A1362-L1365 PolarHBondContact O-N 3.05Å; S1363-L1365 VanDerWaalsContact C-N 3.34Å; S1363-L1365 PolarHBondContact O-N 3.31Å; L1365-Q1367 VanDerWaalsContact C-N 3.28Å; L1365-Q1367 PolarHBondContact O-N 2.93Å; L1365-S1368 WeakPolarHBondContact CA-OG 3.49Å; L1365-S1368 WeakPolarHBondContact O-CB 3.4Å; L1365-S1368 PolarHBondContact O-N 3.01Å; L1365-S1368 VanDerWaalsContact O-N 3.13Å; L1365-S1368 PolarHBondContact O-OG 3.1Å; L1365-L1369 PolarHBondContact O-N 2.92Å; L1365-Y1390 HydrophobicContact CB-CD1 4.24Å; L1365-Y1390 HydrophobicContact CB-CD2 4.03Å; L1365-Y1390 HydrophobicContact CB-CE2 4.34Å; L1365-Y1390 HydrophobicContact CB-CG 3.94Å; L1365-Y1390 HydrophobicContact CD1-CD1 3.99Å; L1365-Y1390 HydrophobicContact CD1-CE1 4.28Å; L1365-Y1390 HydrophobicContact CD1-CG 4.35Å |
| 1366 | D | 71.1 | Confident | 66.9 | Low | 18 Ų | 18 | 82.4 Ų | 82.4 | 10% | 0.096 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -60.9 | -33.9 | 173.4 | -71.2 | -26.3 | 0 | 0 | 0 | 112.1 | A1362 S1363 L1364 V1387 H1388 A1389 Y1390 S1391 | A1362-D1366 PolarHBondContact O-N 3.14Å; A1362-D1366 VanDerWaalsContact O-N 3.09Å; S1363-D1366 WeakPolarHBondContact O-CB 3.47Å; S1363-D1366 PolarHBondContact O-N 3.04Å; L1364-D1366 VanDerWaalsContact C-N 3.35Å; D1366-V1387 VanDerWaalsContact OD1-O 3.05Å; D1366-H1388 VanDerWaalsContact CG-CA 3.47Å; D1366-H1388 WeakPolarHBondContact OD1-CA 3.23Å; D1366-H1388 WeakPolarHBondContact OD2-CA 3.4Å; D1366-H1388 WeakPolarHBondContact OD2-CB 3.24Å; D1366-H1388 IonicContact OD2-ND1 3.12Å; D1366-A1389 PolarHBondContact OD1-N 3.17Å; D1366-Y1390 WeakPolarHBondContact OD1-CA 3.35Å; D1366-Y1390 VanDerWaalsContact OD1-CB 3.26Å; D1366-Y1390 WeakPolarHBondContact OD1-CB 3.4Å; D1366-Y1390 WeakPolarHBondContact OD1-CD2 3.25Å; D1366-Y1390 PolarHBondContact OD1-N 2.96Å; D1366-S1391 WeakPolarHBondContact OD2-CB 3.22Å; D1366-S1391 PolarHBondContact OD2-N 3Å; D1366-S1391 PolarHBondContact OD2-OG 3.21Å; D1366-S1391 VanDerWaalsContact OD2-OG 3.12Å |
| 1367 | Q | 68.7 | Low | 65.1 | Low | 126.4 Ų | 126.4 | 85.2 Ų | 85.2 | 59% | 0.591 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -78.6 | -26.8 | 176.2 | -72.1 | 173.5 | 20.4 | 0 | 0 | 113.8 | S1363 L1364 L1365 L1369 L1370 | S1363-Q1367 WeakPolarHBondContact O-CB 3.19Å; S1363-Q1367 VanDerWaalsContact O-CG 3.28Å; S1363-Q1367 WeakPolarHBondContact O-CG 3.23Å; S1363-Q1367 PolarHBondContact O-N 3.08Å; S1363-Q1367 VanDerWaalsContact O-N 3.09Å; S1363-Q1367 PolarHBondContact O-NE2 3.25Å; S1363-Q1367 PolarHBondContact OG-NE2 2.95Å; L1364-Q1367 PolarHBondContact O-N 3.17Å; L1365-Q1367 VanDerWaalsContact C-N 3.28Å; L1365-Q1367 PolarHBondContact O-N 2.93Å; Q1367-L1369 PolarHBondContact O-N 3.25Å; Q1367-L1370 VanDerWaalsContact O-CD1 3.31Å; Q1367-L1370 WeakPolarHBondContact O-CD1 3.46Å; Q1367-L1370 VanDerWaalsContact O-CG 3.27Å; Q1367-L1370 WeakPolarHBondContact O-CG 3.22Å |
| 1368 | S | 62.2 | Low | 63.6 | Low | 67.6 Ų | 67.6 | 85.5 Ų | 85.5 | 47% | 0.473 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -73.2 | 4.4 | -177.4 | 70.2 | 0 | 0 | 0 | 0 | 113.6 | L1364 L1365 L1370 | L1364-S1368 VanDerWaalsContact O-CB 3.29Å; L1364-S1368 WeakPolarHBondContact O-CB 3.34Å; L1364-S1368 PolarHBondContact O-N 2.89Å; L1364-S1368 VanDerWaalsContact O-N 3.14Å; L1364-S1368 PolarHBondContact O-OG 3.2Å; L1365-S1368 WeakPolarHBondContact CA-OG 3.49Å; L1365-S1368 WeakPolarHBondContact O-CB 3.4Å; L1365-S1368 PolarHBondContact O-N 3.01Å; L1365-S1368 VanDerWaalsContact O-N 3.13Å; L1365-S1368 PolarHBondContact O-OG 3.1Å; S1368-L1370 PolarHBondContact O-N 2.88Å |
| 1369 | L | 54.7 | Low | 61.8 | Low | 109.6 Ų | 109.6 | 89.2 Ų | 89.2 | 57% | 0.574 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | 50.8 | -177.9 | -72.8 | 164 | 0 | 0 | 0 | 112.3 | L1365 Q1367 E1371 V1387 Y1390 | L1365-L1369 PolarHBondContact O-N 2.92Å; Q1367-L1369 PolarHBondContact O-N 3.25Å; L1369-E1371 PolarHBondContact O-N 3.14Å; L1369-V1387 HydrophobicContact CB-CG1 4Å; L1369-Y1390 HydrophobicContact CD1-CD2 4.41Å; L1369-Y1390 HydrophobicContact CD1-CE2 3.96Å |
| 1370 | L | 48.3 | Very low | 60.1 | Low | 143.2 Ų | 143.2 | 90.5 Ų | 90.5 | 75% | 0.75 | 49% | 0.487 | S | S | * | . | trans | -81.2 | 52.1 | 176.6 | -84.6 | 162.6 | 0 | 0 | 0 | 113.3 | S620 I622 Q1367 S1368 | S620-L1370 WeakPolarHBondContact OG-CD2 3.28Å; I622-L1370 VanDerWaalsContact CD1-O 3.23Å; I622-L1370 WeakPolarHBondContact CD1-O 3.45Å; I622-L1370 WeakPolarHBondContact CG1-O 3.37Å; Q1367-L1370 VanDerWaalsContact O-CD1 3.31Å; Q1367-L1370 WeakPolarHBondContact O-CD1 3.46Å; Q1367-L1370 VanDerWaalsContact O-CG 3.27Å; Q1367-L1370 WeakPolarHBondContact O-CG 3.22Å; S1368-L1370 PolarHBondContact O-N 2.88Å | ||
| 1371 | E | 46.9 | Very low | 59 | Low | 128.6 Ų | 128.6 | 92.6 Ų | 92.6 | 60% | 0.601 | 50% | 0.499 | S | S | * | . | trans | -124.6 | 104.5 | 153.9 | -86.5 | -164.9 | 157.5 | 0 | 0 | 109.6 | L1369 D1373 S1374 Y1390 | L1369-E1371 PolarHBondContact O-N 3.14Å; E1371-D1373 VanDerWaalsContact C-N 3.28Å; E1371-D1373 PolarHBondContact O-N 3.06Å; E1371-S1374 PolarHBondContact O-N 3.05Å; E1371-S1374 PolarHBondContact O-OG 3.04Å; E1371-Y1390 PolarHBondContact OE2-OH 2.89Å | ||
| 1372 | P | 46.6 | Very low | 57.7 | Low | 103.8 Ų | 103.8 | 93.6 Ų | 93.6 | 67% | 0.674 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -17 | -177.2 | -3.7 | 8.4 | 0 | 0 | 0 | 114.8 | S1374 | P1372-S1374 PolarHBondContact O-N 3.24Å; P1372-S1374 VanDerWaalsContact O-N 3.15Å |
| 1373 | D | 46.2 | Very low | 56.5 | Low | 143.2 Ų | 143.2 | 99.3 Ų | 99.3 | 77% | 0.766 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | 3.5 | -173.7 | -66.2 | -38.5 | 0 | 0 | 0 | 115.7 | E1371 Y1375 | E1371-D1373 VanDerWaalsContact C-N 3.28Å; E1371-D1373 PolarHBondContact O-N 3.06Å; D1373-Y1375 VanDerWaalsContact C-N 3.3Å; D1373-Y1375 WeakPolarHBondContact O-CD2 3.47Å; D1373-Y1375 PolarHBondContact O-N 3.03Å |
| 1374 | S | 47.4 | Very low | 55 | Low | 54.4 Ų | 54.4 | 105.1 Ų | 105.1 | 38% | 0.38 | 55% | 0.553 | S | S | . | * | trans | -82 | 41.2 | -176 | 62 | 0 | 0 | 0 | 0 | 114.9 | E1371 P1372 R1376 V1387 | E1371-S1374 PolarHBondContact O-N 3.05Å; E1371-S1374 PolarHBondContact O-OG 3.04Å; P1372-S1374 PolarHBondContact O-N 3.24Å; P1372-S1374 VanDerWaalsContact O-N 3.15Å; S1374-R1376 PolarHBondContact O-N 2.95Å; S1374-R1376 VanDerWaalsContact O-N 3.08Å; S1374-V1387 PolarHBondContact O-N 3.05Å | ||
| 1375 | Y | 51.8 | Low | 53.8 | Low | 159.6 Ų | 159.6 | 105.4 Ų | 105.4 | 63% | 0.626 | 55% | 0.552 | S | S | * | * | trans | -77 | 94.2 | 174.8 | -78.7 | -80.6 | 0 | 0 | 0 | 112.8 | D1373 W1377 Y1384 T1386 | D1373-Y1375 VanDerWaalsContact C-N 3.3Å; D1373-Y1375 WeakPolarHBondContact O-CD2 3.47Å; D1373-Y1375 PolarHBondContact O-N 3.03Å; Y1375-W1377 PolarHBondContact O-N 2.96Å; Y1375-Y1384 WeakPolarHBondContact O-CD1 3.36Å; Y1375-T1386 HydrophobicContact CD1-CG2 4.31Å; Y1375-T1386 HydrophobicContact CE1-CG2 3.84Å | ||
| 1376 | R | 48.8 | Very low | 52.8 | Low | 191.4 Ų | 191.4 | 106.7 Ų | 106.7 | 72% | 0.722 | 56% | 0.562 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.7 | 107 | 178.8 | -169.3 | 173.8 | 138.3 | 178.3 | -2.1 | 111.9 | S1374 S1378 Y1384 H1385 V1387 | S1374-R1376 PolarHBondContact O-N 2.95Å; S1374-R1376 VanDerWaalsContact O-N 3.08Å; R1376-S1378 PolarHBondContact O-N 3.06Å; R1376-Y1384 WeakPolarHBondContact O-CA 3.4Å; R1376-H1385 PolarHBondContact N-O 3.23Å; R1376-H1385 PolarHBondContact O-N 3.07Å; R1376-V1387 HydrophobicContact CB-CG2 3.36Å |
| 1377 | W | 46.6 | Very low | 52 | Low | 157.4 Ų | 157.4 | 108.6 Ų | 108.6 | 60% | 0.596 | 57% | 0.574 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -77.3 | 123.5 | 172.2 | -167.4 | -103.8 | 0 | 0 | 0 | 111.6 | Y1375 G1382 Y1384 | Y1375-W1377 PolarHBondContact O-N 2.96Å; W1377-G1382 VanDerWaalsContact CH2-O 3.26Å; W1377-G1382 WeakPolarHBondContact CH2-O 3.44Å; W1377-G1382 VanDerWaalsContact CZ3-C 3.44Å; W1377-G1382 VanDerWaalsContact CZ3-O 3.3Å; W1377-G1382 WeakPolarHBondContact CZ3-O 3.36Å; W1377-Y1384 HydrophobicContact CB-CD1 4.13Å; W1377-Y1384 HydrophobicContact CB-CE1 3.97Å; W1377-Y1384 HydrophobicContact CE3-CD1 4.23Å; W1377-Y1384 AromaticContact CE3-CD2 3.67Å; W1377-Y1384 HydrophobicContact CE3-CD2 4.03Å; W1377-Y1384 HydrophobicContact CE3-CE1 4.25Å; W1377-Y1384 AromaticContact CE3-CE2 3.73Å; W1377-Y1384 HydrophobicContact CE3-CE2 3.92Å; W1377-Y1384 AromaticContact CE3-CG 3.99Å; W1377-Y1384 HydrophobicContact CE3-CG 4.19Å; W1377-Y1384 AromaticContact CE3-CZ 3.77Å; W1377-Y1384 AromaticContact CZ3-CD2 3.92Å; W1377-Y1384 HydrophobicContact CZ3-CD2 4.13Å; W1377-Y1384 AromaticContact CZ3-CE2 3.8Å; W1377-Y1384 HydrophobicContact CZ3-CE2 4.15Å |
| 1378 | S | 51.2 | Low | 51.5 | Low | 47.2 Ų | 47.2 | 108.6 Ų | 108.6 | 33% | 0.33 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.2 | 104.4 | 167 | 159.9 | 0 | 0 | 0 | 0 | 111.9 | R1376 A1380 T1381 G1382 Q1383 H1385 | R1376-S1378 PolarHBondContact O-N 3.06Å; S1378-A1380 PolarHBondContact O-N 3.11Å; S1378-A1380 VanDerWaalsContact O-N 3.11Å; S1378-A1380 PolarHBondContact OG-N 2.99Å; S1378-T1381 VanDerWaalsContact CB-OG1 3.27Å; S1378-T1381 WeakPolarHBondContact CB-OG1 3.24Å; S1378-T1381 PolarHBondContact O-N 2.72Å; S1378-T1381 PolarHBondContact O-OG1 2.68Å; S1378-T1381 PolarHBondContact OG-N 3.29Å; S1378-T1381 PolarHBondContact OG-OG1 3.16Å; S1378-G1382 PolarHBondContact O-N 2.92Å; S1378-Q1383 PolarHBondContact N-O 3.05Å; S1378-H1385 VanDerWaalsContact CB-CD2 3.41Å; S1378-H1385 WeakPolarHBondContact CB-CD2 3.27Å |
| 1379 | S | 48.2 | Very low | 51.8 | Low | 103.6 Ų | 103.6 | 107.1 Ų | 107.1 | 72% | 0.724 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -10.7 | 166.6 | 53.2 | 0 | 0 | 0 | 0 | 112.6 | T1381 G1382 | S1379-T1381 PolarHBondContact O-N 2.99Å; S1379-G1382 PolarHBondContact O-N 3.06Å |
| 1380 | A | 50 | Low | 52.8 | Low | 91 Ų | 91 | 105 Ų | 105 | 75% | 0.752 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -17.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | S1378 | S1378-A1380 PolarHBondContact O-N 3.11Å; S1378-A1380 VanDerWaalsContact O-N 3.11Å; S1378-A1380 PolarHBondContact OG-N 2.99Å |
| 1381 | T | 58.5 | Low | 54.3 | Low | 74 Ų | 74 | 99.6 Ų | 99.6 | 45% | 0.454 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | -5 | -178.5 | 63.2 | 0 | 0 | 0 | 0 | 114.3 | S1378 S1379 Q1383 H1385 | S1378-T1381 VanDerWaalsContact CB-OG1 3.27Å; S1378-T1381 WeakPolarHBondContact CB-OG1 3.24Å; S1378-T1381 PolarHBondContact O-N 2.72Å; S1378-T1381 PolarHBondContact O-OG1 2.68Å; S1378-T1381 PolarHBondContact OG-N 3.29Å; S1378-T1381 PolarHBondContact OG-OG1 3.16Å; S1379-T1381 PolarHBondContact O-N 2.99Å; T1381-Q1383 PolarHBondContact O-N 2.85Å; T1381-H1385 PolarHBondContact OG1-NE2 2.97Å |
| 1382 | G | 53.3 | Low | 55.9 | Low | 46 Ų | 46 | 99.1 Ų | 99.1 | 47% | 0.474 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | 24.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | W1377 S1378 S1379 | W1377-G1382 VanDerWaalsContact CH2-O 3.26Å; W1377-G1382 WeakPolarHBondContact CH2-O 3.44Å; W1377-G1382 VanDerWaalsContact CZ3-C 3.44Å; W1377-G1382 VanDerWaalsContact CZ3-O 3.3Å; W1377-G1382 WeakPolarHBondContact CZ3-O 3.36Å; S1378-G1382 PolarHBondContact O-N 2.92Å; S1379-G1382 PolarHBondContact O-N 3.06Å |
| 1383 | Q | 54.9 | Low | 57.5 | Low | 129.4 Ų | 129.4 | 97.8 Ų | 97.8 | 61% | 0.605 | 51% | 0.509 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 146 | -175.9 | -75.4 | 178.2 | -18.5 | 0 | 0 | 110.8 | S1378 T1381 H1385 | S1378-Q1383 PolarHBondContact N-O 3.05Å; T1381-Q1383 PolarHBondContact O-N 2.85Å; Q1383-H1385 PolarHBondContact O-CD2 3.02Å; Q1383-H1385 PolarHBondContact O-N 3.47Å |
| 1384 | Y | 50.3 | Low | 59.4 | Low | 166.6 Ų | 166.6 | 91.2 Ų | 91.2 | 65% | 0.653 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 130.7 | 169.3 | -69.1 | -82.5 | 0 | 0 | 0 | 110.3 | Y1375 R1376 W1377 T1386 | Y1375-Y1384 WeakPolarHBondContact O-CD1 3.36Å; R1376-Y1384 WeakPolarHBondContact O-CA 3.4Å; W1377-Y1384 HydrophobicContact CB-CD1 4.13Å; W1377-Y1384 HydrophobicContact CB-CE1 3.97Å; W1377-Y1384 HydrophobicContact CE3-CD1 4.23Å; W1377-Y1384 AromaticContact CE3-CD2 3.67Å; W1377-Y1384 HydrophobicContact CE3-CD2 4.03Å; W1377-Y1384 HydrophobicContact CE3-CE1 4.25Å; W1377-Y1384 AromaticContact CE3-CE2 3.73Å; W1377-Y1384 HydrophobicContact CE3-CE2 3.92Å; W1377-Y1384 AromaticContact CE3-CG 3.99Å; W1377-Y1384 HydrophobicContact CE3-CG 4.19Å; W1377-Y1384 AromaticContact CE3-CZ 3.77Å; W1377-Y1384 AromaticContact CZ3-CD2 3.92Å; W1377-Y1384 HydrophobicContact CZ3-CD2 4.13Å; W1377-Y1384 AromaticContact CZ3-CE2 3.8Å; W1377-Y1384 HydrophobicContact CZ3-CE2 4.15Å; Y1384-T1386 PolarHBondContact O-N 2.9Å |
| 1385 | H | 50.5 | Low | 61.2 | Low | 92.8 Ų | 92.8 | 93 Ų | 93 | 43% | 0.43 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 137.1 | 173.2 | -70.6 | -98.6 | 0 | 0 | 0 | 110 | R1376 S1378 T1381 Q1383 V1387 A1389 | R1376-H1385 PolarHBondContact N-O 3.23Å; R1376-H1385 PolarHBondContact O-N 3.07Å; S1378-H1385 VanDerWaalsContact CB-CD2 3.41Å; S1378-H1385 WeakPolarHBondContact CB-CD2 3.27Å; T1381-H1385 PolarHBondContact OG1-NE2 2.97Å; Q1383-H1385 PolarHBondContact O-CD2 3.02Å; Q1383-H1385 PolarHBondContact O-N 3.47Å; H1385-V1387 PolarHBondContact O-N 3.31Å; H1385-A1389 HydrophobicContact CB-CB 4.44Å |
| 1386 | T | 52.9 | Low | 62.8 | Low | 86.4 Ų | 86.4 | 88.1 Ų | 88.1 | 53% | 0.53 | 47% | 0.465 | S | S | . | . | trans | -77.1 | 150.8 | 174.5 | 50.9 | 0 | 0 | 0 | 0 | 111 | Y1375 Y1384 H1388 A1389 | Y1375-T1386 HydrophobicContact CD1-CG2 4.31Å; Y1375-T1386 HydrophobicContact CE1-CG2 3.84Å; Y1384-T1386 PolarHBondContact O-N 2.9Å; T1386-H1388 VanDerWaalsContact C-N 3.25Å; T1386-H1388 PolarHBondContact O-N 3.02Å; T1386-H1388 VanDerWaalsContact O-N 3.16Å; T1386-A1389 WeakPolarHBondContact O-CB 3.38Å; T1386-A1389 PolarHBondContact O-N 3.05Å | ||
| 1387 | V | 53.5 | Low | 64.6 | Low | 58 Ų | 58 | 79.4 Ų | 79.4 | 35% | 0.352 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -10.2 | -176.1 | -175.8 | 0 | 0 | 0 | 0 | 113 | D1366 L1369 S1374 R1376 H1385 A1389 | D1366-V1387 VanDerWaalsContact OD1-O 3.05Å; L1369-V1387 HydrophobicContact CB-CG1 4Å; S1374-V1387 PolarHBondContact O-N 3.05Å; R1376-V1387 HydrophobicContact CB-CG2 3.36Å; H1385-V1387 PolarHBondContact O-N 3.31Å; V1387-A1389 HydrophobicContact CB-CB 4.45Å; V1387-A1389 HydrophobicContact CG1-CB 4.03Å; V1387-A1389 PolarHBondContact O-N 3.15Å |
| 1388 | H | 58.9 | Low | 66.6 | Low | 126.8 Ų | 126.8 | 73.2 Ų | 73.2 | 59% | 0.587 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | 34.3 | 174.2 | -65.5 | -61.8 | 0 | 0 | 0 | 114 | D1366 T1386 Y1390 S1391 L1392 | D1366-H1388 VanDerWaalsContact CG-CA 3.47Å; D1366-H1388 WeakPolarHBondContact OD1-CA 3.23Å; D1366-H1388 WeakPolarHBondContact OD2-CA 3.4Å; D1366-H1388 WeakPolarHBondContact OD2-CB 3.24Å; D1366-H1388 IonicContact OD2-ND1 3.12Å; T1386-H1388 VanDerWaalsContact C-N 3.25Å; T1386-H1388 PolarHBondContact O-N 3.02Å; T1386-H1388 VanDerWaalsContact O-N 3.16Å; H1388-Y1390 VanDerWaalsContact C-N 3.31Å; H1388-Y1390 PolarHBondContact O-N 3.16Å; H1388-S1391 PolarHBondContact O-N 2.97Å; H1388-S1391 PolarHBondContact O-OG 3.47Å; H1388-L1392 VanDerWaalsContact O-CB 3.31Å; H1388-L1392 WeakPolarHBondContact O-CB 3.4Å; H1388-L1392 PolarHBondContact O-N 3.26Å; H1388-L1392 VanDerWaalsContact O-N 3.15Å |
| 1389 | A | 68.1 | Low | 68.3 | Low | 36 Ų | 36 | 74.3 Ų | 74.3 | 30% | 0.298 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.7 | -33.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D1366 H1385 T1386 V1387 K1393 | D1366-A1389 PolarHBondContact OD1-N 3.17Å; H1385-A1389 HydrophobicContact CB-CB 4.44Å; T1386-A1389 WeakPolarHBondContact O-CB 3.38Å; T1386-A1389 PolarHBondContact O-N 3.05Å; V1387-A1389 HydrophobicContact CB-CB 4.45Å; V1387-A1389 HydrophobicContact CG1-CB 4.03Å; V1387-A1389 PolarHBondContact O-N 3.15Å; A1389-K1393 WeakPolarHBondContact O-CB 3.39Å; A1389-K1393 WeakPolarHBondContact O-CD 3.5Å; A1389-K1393 WeakPolarHBondContact O-CG 3.39Å; A1389-K1393 PolarHBondContact O-N 3.06Å |
| 1390 | Y | 75.3 | Confident | 70.1 | Confident | 65.6 Ų | 65.6 | 75.5 Ų | 75.5 | 26% | 0.257 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -79.1 | -47.2 | -176.8 | -63.9 | -84.8 | 0 | 0 | 0 | 111.7 | A1362 L1365 D1366 L1369 E1371 H1388 L1392 K1393 A1394 K1611 | A1362-Y1390 WeakPolarHBondContact O-CB 3.15Å; L1365-Y1390 HydrophobicContact CB-CD1 4.24Å; L1365-Y1390 HydrophobicContact CB-CD2 4.03Å; L1365-Y1390 HydrophobicContact CB-CE2 4.34Å; L1365-Y1390 HydrophobicContact CB-CG 3.94Å; L1365-Y1390 HydrophobicContact CD1-CD1 3.99Å; L1365-Y1390 HydrophobicContact CD1-CE1 4.28Å; L1365-Y1390 HydrophobicContact CD1-CG 4.35Å; D1366-Y1390 WeakPolarHBondContact OD1-CA 3.35Å; D1366-Y1390 VanDerWaalsContact OD1-CB 3.26Å; D1366-Y1390 WeakPolarHBondContact OD1-CB 3.4Å; D1366-Y1390 WeakPolarHBondContact OD1-CD2 3.25Å; D1366-Y1390 PolarHBondContact OD1-N 2.96Å; L1369-Y1390 HydrophobicContact CD1-CD2 4.41Å; L1369-Y1390 HydrophobicContact CD1-CE2 3.96Å; E1371-Y1390 PolarHBondContact OE2-OH 2.89Å; H1388-Y1390 VanDerWaalsContact C-N 3.31Å; H1388-Y1390 PolarHBondContact O-N 3.16Å; Y1390-L1392 VanDerWaalsContact C-N 3.32Å; Y1390-L1392 PolarHBondContact O-N 3.14Å; Y1390-K1393 PolarHBondContact O-N 3.26Å; Y1390-A1394 WeakPolarHBondContact O-CB 3.34Å; Y1390-A1394 PolarHBondContact O-N 3.03Å; Y1390-K1611 VanDerWaalsContact CE1-O 3.27Å; Y1390-K1611 WeakPolarHBondContact CE1-O 3.38Å |
| 1391 | S | 80.6 | Confident | 71.9 | Confident | 30.8 Ų | 30.8 | 72.2 Ų | 72.2 | 22% | 0.215 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.5 | -38.5 | 177.1 | -48.5 | 0 | 0 | 0 | 0 | 112.4 | S1363 D1366 H1388 A1394 N1395 | S1363-S1391 VanDerWaalsContact CA-OG 3.32Å; S1363-S1391 WeakPolarHBondContact CA-OG 3.39Å; S1363-S1391 PolarHBondContact N-OG 2.9Å; D1366-S1391 WeakPolarHBondContact OD2-CB 3.22Å; D1366-S1391 PolarHBondContact OD2-N 3Å; D1366-S1391 PolarHBondContact OD2-OG 3.21Å; D1366-S1391 VanDerWaalsContact OD2-OG 3.12Å; H1388-S1391 PolarHBondContact O-N 2.97Å; H1388-S1391 PolarHBondContact O-OG 3.47Å; S1391-A1394 PolarHBondContact O-N 2.89Å; S1391-N1395 WeakPolarHBondContact O-CB 3.41Å; S1391-N1395 PolarHBondContact O-N 2.95Å; S1391-N1395 PolarHBondContact O-ND2 2.84Å |
| 1392 | L | 79.8 | Confident | 73.5 | Confident | 117.2 Ų | 117.2 | 68.6 Ų | 68.6 | 61% | 0.614 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -63.9 | -43.4 | 174.7 | -154 | 96.4 | 0 | 0 | 0 | 111.3 | H1388 Y1390 N1395 N1396 | H1388-L1392 VanDerWaalsContact O-CB 3.31Å; H1388-L1392 WeakPolarHBondContact O-CB 3.4Å; H1388-L1392 PolarHBondContact O-N 3.26Å; H1388-L1392 VanDerWaalsContact O-N 3.15Å; Y1390-L1392 VanDerWaalsContact C-N 3.32Å; Y1390-L1392 PolarHBondContact O-N 3.14Å; L1392-N1395 PolarHBondContact O-N 2.95Å; L1392-N1396 VanDerWaalsContact O-CB 3.29Å; L1392-N1396 WeakPolarHBondContact O-CB 3.32Å; L1392-N1396 PolarHBondContact O-N 3.2Å; L1392-N1396 PolarHBondContact O-ND2 3.2Å |
| 1393 | K | 81.6 | Confident | 75.3 | Confident | 75.4 Ų | 75.4 | 67.8 Ų | 67.8 | 33% | 0.328 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 176.8 | -158.3 | 175.1 | -178 | -179 | 0 | 111.9 | A1389 Y1390 N1395 N1396 T1397 Q1612 G1613 | A1389-K1393 WeakPolarHBondContact O-CB 3.39Å; A1389-K1393 WeakPolarHBondContact O-CD 3.5Å; A1389-K1393 WeakPolarHBondContact O-CG 3.39Å; A1389-K1393 PolarHBondContact O-N 3.06Å; Y1390-K1393 PolarHBondContact O-N 3.26Å; K1393-N1395 PolarHBondContact O-N 3.13Å; K1393-N1396 WeakPolarHBondContact O-CB 3.49Å; K1393-N1396 PolarHBondContact O-N 3.12Å; K1393-T1397 WeakPolarHBondContact O-CB 3.49Å; K1393-T1397 PolarHBondContact O-N 3.21Å; K1393-T1397 PolarHBondContact O-OG1 3.26Å; K1393-T1397 VanDerWaalsContact O-OG1 3.1Å; K1393-Q1612 PolarHBondContact NZ-O 2.78Å; K1393-G1613 WeakPolarHBondContact CE-O 3.33Å; K1393-G1613 PolarHBondContact NZ-O 3.16Å |
| 1394 | A | 84.3 | Confident | 77.1 | Confident | 4.8 Ų | 4.8 | 63.8 Ų | 63.8 | 4% | 0.04 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | F1358 L1359 A1362 Y1390 S1391 N1396 T1397 L1398 | F1358-A1394 HydrophobicContact CD1-CB 4.13Å; F1358-A1394 HydrophobicContact CE1-CB 3.64Å; F1358-A1394 HydrophobicContact CZ-CB 4.1Å; L1359-A1394 HydrophobicContact CD2-CB 4.06Å; A1362-A1394 HydrophobicContact CB-CB 3.61Å; Y1390-A1394 WeakPolarHBondContact O-CB 3.34Å; Y1390-A1394 PolarHBondContact O-N 3.03Å; S1391-A1394 PolarHBondContact O-N 2.89Å; A1394-N1396 VanDerWaalsContact C-N 3.31Å; A1394-N1396 PolarHBondContact O-N 3.03Å; A1394-T1397 WeakPolarHBondContact O-CA 3.48Å; A1394-T1397 WeakPolarHBondContact O-CB 3.33Å; A1394-T1397 PolarHBondContact O-N 3.03Å; A1394-L1398 WeakPolarHBondContact O-CG 3.45Å; A1394-L1398 PolarHBondContact O-N 3.3Å |
| 1395 | N | 86.4 | Confident | 79.1 | Confident | 93.2 Ų | 93.2 | 56 Ų | 56 | 50% | 0.498 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.6 | -38.6 | 175.8 | -152.1 | -5.1 | 0 | 0 | 0 | 112.3 | L1359 S1391 L1392 K1393 T1397 L1398 S1399 | L1359-N1395 WeakPolarHBondContact CD2-OD1 3.43Å; S1391-N1395 WeakPolarHBondContact O-CB 3.41Å; S1391-N1395 PolarHBondContact O-N 2.95Å; S1391-N1395 PolarHBondContact O-ND2 2.84Å; L1392-N1395 PolarHBondContact O-N 2.95Å; K1393-N1395 PolarHBondContact O-N 3.13Å; N1395-T1397 VanDerWaalsContact C-N 3.31Å; N1395-T1397 PolarHBondContact O-N 2.81Å; N1395-L1398 PolarHBondContact O-N 3.11Å; N1395-S1399 WeakPolarHBondContact O-CB 3.27Å; N1395-S1399 PolarHBondContact O-N 3.14Å; N1395-S1399 PolarHBondContact O-OG 3.19Å |
| 1396 | N | 85.4 | Confident | 81.1 | Confident | 56.6 Ų | 56.6 | 51.8 Ų | 51.8 | 30% | 0.303 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.2 | -35.8 | 172.9 | -137.4 | 19.2 | 0 | 0 | 0 | 112.3 | L1392 K1393 A1394 S1399 K1400 | L1392-N1396 VanDerWaalsContact O-CB 3.29Å; L1392-N1396 WeakPolarHBondContact O-CB 3.32Å; L1392-N1396 PolarHBondContact O-N 3.2Å; L1392-N1396 PolarHBondContact O-ND2 3.2Å; K1393-N1396 WeakPolarHBondContact O-CB 3.49Å; K1393-N1396 PolarHBondContact O-N 3.12Å; A1394-N1396 VanDerWaalsContact C-N 3.31Å; A1394-N1396 PolarHBondContact O-N 3.03Å; N1396-S1399 WeakPolarHBondContact CA-OG 3.39Å; N1396-S1399 PolarHBondContact O-N 2.77Å; N1396-S1399 PolarHBondContact O-OG 3.14Å; N1396-K1400 VanDerWaalsContact O-CB 3.31Å; N1396-K1400 WeakPolarHBondContact O-CB 3.26Å; N1396-K1400 PolarHBondContact O-N 3.19Å; N1396-K1400 VanDerWaalsContact O-N 3.07Å; N1396-K1400 WeakPolarHBondContact OD1-CD 3.36Å; N1396-K1400 VanDerWaalsContact OD1-CE 3.27Å; N1396-K1400 WeakPolarHBondContact OD1-CE 3.43Å; N1396-K1400 PolarHBondContact OD1-NZ 3.08Å |
| 1397 | T | 86.7 | Confident | 82.8 | Confident | 9.2 Ų | 9.2 | 47.8 Ų | 47.8 | 6% | 0.056 | 25% | 0.251 | C | S | . | . | I | π-helix | trans | -64 | -51.3 | 173.1 | -62.7 | 0 | 0 | 0 | 0 | 110.9 | F1358 K1393 A1394 N1395 S1399 K1400 L1401 C1402 P1405 F1615 | F1358-T1397 HydrophobicContact CE1-CG2 4.32Å; F1358-T1397 HydrophobicContact CZ-CG2 4.26Å; K1393-T1397 WeakPolarHBondContact O-CB 3.49Å; K1393-T1397 PolarHBondContact O-N 3.21Å; K1393-T1397 PolarHBondContact O-OG1 3.26Å; K1393-T1397 VanDerWaalsContact O-OG1 3.1Å; A1394-T1397 WeakPolarHBondContact O-CA 3.48Å; A1394-T1397 WeakPolarHBondContact O-CB 3.33Å; A1394-T1397 PolarHBondContact O-N 3.03Å; N1395-T1397 VanDerWaalsContact C-N 3.31Å; N1395-T1397 PolarHBondContact O-N 2.81Å; T1397-S1399 VanDerWaalsContact C-N 3.31Å; T1397-S1399 PolarHBondContact O-N 2.83Å; T1397-K1400 PolarHBondContact O-N 2.85Å; T1397-L1401 HydrophobicContact CG2-CB 4.38Å; T1397-L1401 PolarHBondContact O-N 3.29Å; T1397-C1402 HydrophobicContact CG2-CB 4.39Å; T1397-C1402 PolarHBondContact O-N 3.32Å; T1397-P1405 HydrophobicContact CG2-CG 4.3Å; T1397-F1615 HydrophobicContact CG2-CB 3.59Å; T1397-F1615 HydrophobicContact CG2-CD1 4.05Å; T1397-F1615 HydrophobicContact CG2-CD2 4.37Å; T1397-F1615 HydrophobicContact CG2-CG 3.77Å |
| 1398 | L | 88.4 | Confident | 84.3 | Confident | 26.2 Ų | 26.2 | 45.6 Ų | 45.6 | 14% | 0.137 | 24% | 0.238 | C | C | . | . | I | π-helix | trans | -61 | -36.7 | -180 | -72.5 | 175.2 | 0 | 0 | 0 | 113.3 | N1355 F1358 L1359 A1394 N1395 C1402 P1405 Y1833 | N1355-L1398 HydrophobicContact CB-CD1 4.4Å; N1355-L1398 HydrophobicContact CB-CD2 4.37Å; F1358-L1398 HydrophobicContact CD1-CD1 4.23Å; F1358-L1398 HydrophobicContact CD1-CD2 4.3Å; F1358-L1398 HydrophobicContact CD1-CG 4.14Å; F1358-L1398 HydrophobicContact CE1-CD2 4.08Å; F1358-L1398 HydrophobicContact CE1-CG 4.22Å; L1359-L1398 HydrophobicContact CD1-CD1 3.8Å; L1359-L1398 HydrophobicContact CD2-CD1 3.87Å; L1359-L1398 HydrophobicContact CG-CD1 3.74Å; A1394-L1398 WeakPolarHBondContact O-CG 3.45Å; A1394-L1398 PolarHBondContact O-N 3.3Å; N1395-L1398 PolarHBondContact O-N 3.11Å; L1398-C1402 WeakPolarHBondContact CA-O 3.28Å; L1398-P1405 VanDerWaalsContact CD2-CD 3.41Å; L1398-P1405 HydrophobicContact CD2-CG 3.76Å; L1398-P1405 HydrophobicContact CG-CG 4.46Å; L1398-Y1833 WeakPolarHBondContact O-CE1 3.45Å; L1398-Y1833 PolarHBondContact O-OH 3.28Å |
| 1399 | S | 87 | Confident | 85.6 | Confident | 70 Ų | 70 | 40.3 Ų | 40.3 | 49% | 0.49 | 21% | 0.214 | S | C | . | . | I | π-helix | trans | -87.4 | -14.4 | -176.1 | 55.6 | 0 | 0 | 0 | 0 | 115.2 | N1395 N1396 T1397 Y1833 | N1395-S1399 WeakPolarHBondContact O-CB 3.27Å; N1395-S1399 PolarHBondContact O-N 3.14Å; N1395-S1399 PolarHBondContact O-OG 3.19Å; N1396-S1399 WeakPolarHBondContact CA-OG 3.39Å; N1396-S1399 PolarHBondContact O-N 2.77Å; N1396-S1399 PolarHBondContact O-OG 3.14Å; T1397-S1399 VanDerWaalsContact C-N 3.31Å; T1397-S1399 PolarHBondContact O-N 2.83Å; S1399-Y1833 VanDerWaalsContact C-OH 3.3Å; S1399-Y1833 PolarHBondContact O-OH 2.94Å |
| 1400 | K | 85.7 | Confident | 86.7 | Confident | 128.6 Ų | 128.6 | 38.7 Ų | 38.7 | 56% | 0.559 | 20% | 0.2 | S | C | * | . | I | π-helix | trans | -135.8 | -35.2 | -174.1 | -60.7 | 177.8 | -173.2 | 162.3 | 0 | 115.5 | N1396 T1397 Y1829 Y1833 | N1396-K1400 VanDerWaalsContact O-CB 3.31Å; N1396-K1400 WeakPolarHBondContact O-CB 3.26Å; N1396-K1400 PolarHBondContact O-N 3.19Å; N1396-K1400 VanDerWaalsContact O-N 3.07Å; N1396-K1400 WeakPolarHBondContact OD1-CD 3.36Å; N1396-K1400 VanDerWaalsContact OD1-CE 3.27Å; N1396-K1400 WeakPolarHBondContact OD1-CE 3.43Å; N1396-K1400 PolarHBondContact OD1-NZ 3.08Å; T1397-K1400 PolarHBondContact O-N 2.85Å; K1400-Y1829 WeakPolarHBondContact O-CE2 3.46Å; K1400-Y1829 PolarHBondContact O-OH 3.01Å; K1400-Y1833 VanDerWaalsContact C-CD1 3.45Å; K1400-Y1833 VanDerWaalsContact C-CE1 3.47Å; K1400-Y1833 WeakPolarHBondContact O-CD1 3.48Å; K1400-Y1833 PolarHBondContact O-N 3.45Å |
| 1401 | L | 87.2 | Confident | 87.3 | Confident | 21.8 Ų | 21.8 | 37.9 Ų | 37.9 | 11% | 0.114 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -99.1 | -54 | -167 | -60.2 | 173.2 | 0 | 0 | 0 | 111.8 | T1397 F1615 D1715 Y1829 Y1835 | T1397-L1401 HydrophobicContact CG2-CB 4.38Å; T1397-L1401 PolarHBondContact O-N 3.29Å; L1401-F1615 HydrophobicContact CB-CD1 4.47Å; L1401-F1615 HydrophobicContact CB-CE1 3.94Å; L1401-F1615 HydrophobicContact CB-CE2 4.29Å; L1401-F1615 HydrophobicContact CB-CZ 3.84Å; L1401-F1615 HydrophobicContact CD1-CD1 4.21Å; L1401-F1615 HydrophobicContact CD1-CE1 3.71Å; L1401-F1615 HydrophobicContact CD1-CZ 4.37Å; L1401-F1615 HydrophobicContact CG-CE1 4.33Å; L1401-F1615 HydrophobicContact CG-CZ 4.39Å; L1401-D1715 HydrophobicContact CD1-CB 3.98Å; L1401-Y1829 HydrophobicContact CD2-CD1 4.28Å; L1401-Y1829 HydrophobicContact CD2-CD2 4.33Å; L1401-Y1829 HydrophobicContact CD2-CE1 4.36Å; L1401-Y1829 HydrophobicContact CD2-CE2 4.19Å; L1401-Y1829 HydrophobicContact CD2-CG 4.36Å; L1401-Y1835 VanDerWaalsContact C-OH 3.26Å; L1401-Y1835 PolarHBondContact O-OH 3.25Å |
| 1402 | C | 91.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -142.4 | 119.8 | -180 | -172.1 | 0 | 0 | 0 | 0 | 111.3 | T1397 L1398 Y1404 P1405 F1615 C1617 | T1397-C1402 HydrophobicContact CG2-CB 4.39Å; T1397-C1402 PolarHBondContact O-N 3.32Å; L1398-C1402 WeakPolarHBondContact CA-O 3.28Å; C1402-Y1404 VanDerWaalsContact C-N 3.3Å; C1402-Y1404 PolarHBondContact O-N 3.25Å; C1402-Y1404 VanDerWaalsContact SG-C 3.52Å; C1402-Y1404 PolarHBondContact SG-O 2.97Å; C1402-Y1404 VanDerWaalsContact SG-O 3.35Å; C1402-P1405 HydrophobicContact CB-CG 4.49Å; C1402-F1615 HydrophobicContact CB-CD2 3.75Å; C1402-F1615 HydrophobicContact CB-CE2 4.06Å; C1402-C1617 VanDerWaalsContact CA-SG 3.59Å; C1402-C1617 HydrophobicContact CB-CB 3.63Å; C1402-C1617 WeakPolarHBondContact CB-SG 3.37Å; C1402-C1617 WeakPolarHBondContact SG-CA 3.43Å; C1402-C1617 WeakPolarHBondContact SG-CB 3.36Å; C1402-C1617 CovalentContact SG-SG 2.03Å; C1402-C1617 PolarHBondContact SG-SG 3.1Å | ||
| 1403 | P | 92.6 | Very high | 88 | Confident | 27.8 Ų | 27.8 | 30.9 Ų | 30.9 | 18% | 0.181 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -71 | -24.2 | 178.8 | 20.3 | -21.4 | 0 | 0 | 0 | 112.9 | P1346 N1355 Y1833 | P1346-P1403 HydrophobicContact CB-CG 3.72Å; P1346-P1403 HydrophobicContact CG-CG 3.89Å; N1355-P1403 PolarHBondContact ND2-O 2.92Å; P1403-Y1833 HydrophobicContact CB-CD1 4.48Å; P1403-Y1833 HydrophobicContact CB-CE1 4.26Å; P1403-Y1833 HydrophobicContact CG-CD1 4.34Å; P1403-Y1833 HydrophobicContact CG-CG 4.46Å |
| 1404 | Y | 93 | Very high | 88.2 | Confident | 46.8 Ų | 46.8 | 27.4 Ų | 27.4 | 18% | 0.184 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -134.9 | 79.4 | -177.9 | -48.6 | -64.6 | 0 | 0 | 0 | 110.9 | V1347 D1348 H1349 S1350 N1353 C1402 V1406 | V1347-Y1404 WeakPolarHBondContact O-CD2 3.29Å; D1348-Y1404 VanDerWaalsContact OD1-CE2 3.25Å; D1348-Y1404 WeakPolarHBondContact OD1-CE2 3.39Å; D1348-Y1404 VanDerWaalsContact OD1-CZ 3.3Å; D1348-Y1404 PolarHBondContact OD1-OH 2.94Å; D1348-Y1404 VanDerWaalsContact OD1-OH 3.05Å; H1349-Y1404 HydrophobicContact CB-CD1 4.25Å; H1349-Y1404 HydrophobicContact CB-CD2 3.95Å; H1349-Y1404 HydrophobicContact CB-CG 3.78Å; H1349-Y1404 VanDerWaalsContact N-CE2 3.28Å; S1350-Y1404 WeakPolarHBondContact CA-OH 3.23Å; S1350-Y1404 VanDerWaalsContact CB-OH 3.26Å; S1350-Y1404 WeakPolarHBondContact CB-OH 3.42Å; S1350-Y1404 PolarHBondContact N-OH 2.9Å; N1353-Y1404 HydrophobicContact CB-CD1 4.05Å; C1402-Y1404 VanDerWaalsContact C-N 3.3Å; C1402-Y1404 PolarHBondContact O-N 3.25Å; C1402-Y1404 VanDerWaalsContact SG-C 3.52Å; C1402-Y1404 PolarHBondContact SG-O 2.97Å; C1402-Y1404 VanDerWaalsContact SG-O 3.35Å; Y1404-V1406 PolarHBondContact O-N 3.15Å |
| 1405 | P | 91.7 | Very high | 88.1 | Confident | 1.2 Ų | 1.2 | 27.9 Ų | 27.9 | 1% | 0.008 | 14% | 0.143 | C | C | . | . | B | Isolated β-bridge | trans | -59.6 | 133.5 | 176.6 | -5.8 | 9.1 | 0 | 0 | 0 | 111.4 | N1355 F1358 T1397 L1398 C1402 W1609 L1616 | N1355-P1405 WeakPolarHBondContact OD1-CD 3.33Å; F1358-P1405 HydrophobicContact CB-CG 4.2Å; F1358-P1405 HydrophobicContact CD1-CB 4.29Å; F1358-P1405 HydrophobicContact CD1-CG 3.73Å; F1358-P1405 HydrophobicContact CD2-CB 4.24Å; F1358-P1405 HydrophobicContact CD2-CG 4.13Å; F1358-P1405 HydrophobicContact CE1-CB 4.31Å; F1358-P1405 HydrophobicContact CE1-CG 3.86Å; F1358-P1405 HydrophobicContact CE2-CB 4.25Å; F1358-P1405 HydrophobicContact CE2-CG 4.41Å; F1358-P1405 HydrophobicContact CG-CB 4.29Å; F1358-P1405 HydrophobicContact CG-CG 3.99Å; F1358-P1405 HydrophobicContact CZ-CB 4.31Å; F1358-P1405 HydrophobicContact CZ-CG 4.25Å; T1397-P1405 HydrophobicContact CG2-CG 4.3Å; L1398-P1405 VanDerWaalsContact CD2-CD 3.41Å; L1398-P1405 HydrophobicContact CD2-CG 3.76Å; L1398-P1405 HydrophobicContact CG-CG 4.46Å; C1402-P1405 HydrophobicContact CB-CG 4.49Å; P1405-W1609 HydrophobicContact CB-CH2 4.43Å; P1405-W1609 HydrophobicContact CB-CZ3 4.07Å; P1405-W1609 HydrophobicContact CG-CH2 4.48Å; P1405-W1609 WeakPolarHBondContact O-CH2 3.26Å; P1405-L1616 CarbonylContact C-O 3.47Å; P1405-L1616 WeakPolarHBondContact CA-O 3.43Å |
| 1406 | V | 91.1 | Very high | 88.1 | Confident | 5.6 Ų | 5.6 | 24.7 Ų | 24.7 | 3% | 0.034 | 13% | 0.127 | C | C | . | . | P | Polyproline II helix | trans | -96.3 | 127.3 | 179.7 | -176.1 | 0 | 0 | 0 | 0 | 108.8 | Y1404 L1616 H1618 W1723 P1783 L1784 | Y1404-V1406 PolarHBondContact O-N 3.15Å; V1406-L1616 HydrophobicContact CB-CB 4.15Å; V1406-L1616 PolarHBondContact N-O 3.09Å; V1406-H1618 HydrophobicContact CG2-CB 4.03Å; V1406-W1723 HydrophobicContact CG1-CH2 4.21Å; V1406-W1723 HydrophobicContact CG1-CZ3 4.25Å; V1406-P1783 HydrophobicContact CG1-CB 3.88Å; V1406-P1783 HydrophobicContact CG2-CB 3.98Å; V1406-L1784 HydrophobicContact CG1-CG 4.43Å; V1406-L1784 HydrophobicContact CG2-CD1 4.16Å; V1406-L1784 HydrophobicContact CG2-CG 4.18Å |
| 1407 | P | 89.6 | Confident | 88 | Confident | 1.4 Ų | 1.4 | 24.2 Ų | 24.2 | 1% | 0.009 | 12% | 0.121 | C | C | . | . | P | Polyproline II helix | trans | -72.5 | 135.8 | 172 | 29.9 | -32.9 | 0 | 0 | 0 | 109.9 | L1409 Y1410 P1607 W1609 | P1407-L1409 VanDerWaalsContact C-N 3.27Å; P1407-L1409 PolarHBondContact O-N 3.07Å; P1407-Y1410 HydrophobicContact CG-CD1 4.37Å; P1407-Y1410 HydrophobicContact CG-CD2 4.46Å; P1407-Y1410 HydrophobicContact CG-CE1 3.79Å; P1407-Y1410 HydrophobicContact CG-CE2 3.72Å; P1407-Y1410 VanDerWaalsContact CG-OH 3.23Å; P1407-Y1410 WeakPolarHBondContact CG-OH 3.41Å; P1407-P1607 HydrophobicContact CB-CB 3.66Å; P1407-P1607 HydrophobicContact CG-CB 3.9Å; P1407-W1609 VanDerWaalsContact CA-CZ3 3.48Å; P1407-W1609 HydrophobicContact CB-CD2 4.24Å; P1407-W1609 HydrophobicContact CB-CE3 3.96Å; P1407-W1609 HydrophobicContact CB-CH2 3.89Å; P1407-W1609 HydrophobicContact CB-CZ2 4.15Å; P1407-W1609 HydrophobicContact CB-CZ3 3.8Å; P1407-W1609 HydrophobicContact CG-CH2 4.13Å; P1407-W1609 HydrophobicContact CG-CZ2 4.41Å; P1407-W1609 HydrophobicContact CG-CZ3 4.37Å; P1407-W1609 VanDerWaalsContact N-CZ3 3.34Å |
| 1408 | P | 84 | Confident | 87.8 | Confident | 13.4 Ų | 13.4 | 30.5 Ų | 30.5 | 9% | 0.087 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -60.3 | -35.3 | 177.7 | 13.8 | -23.2 | 0 | 0 | 0 | 113.4 | E1608 P1610 L1616 Y1758 P1818 Y1819 | P1408-E1608 WeakPolarHBondContact CD-O 3.29Å; P1408-E1608 VanDerWaalsContact CG-O 3.25Å; P1408-E1608 WeakPolarHBondContact CG-O 3.42Å; P1408-P1610 HydrophobicContact CG-CG 4.21Å; P1408-L1616 HydrophobicContact CB-CD1 4.04Å; P1408-L1616 HydrophobicContact CG-CD1 4.19Å; P1408-Y1758 VanDerWaalsContact CB-OH 3.27Å; P1408-Y1758 WeakPolarHBondContact CB-OH 3.17Å; P1408-P1818 WeakPolarHBondContact O-CG 3.21Å; P1408-Y1819 HydrophobicContact CB-CD1 4.41Å; P1408-Y1819 HydrophobicContact CB-CE1 3.84Å; P1408-Y1819 HydrophobicContact CG-CE1 4.38Å |
| 1409 | L | 88.1 | Confident | 87.5 | Confident | 15.6 Ų | 15.6 | 34.6 Ų | 34.6 | 8% | 0.082 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 159.1 | -175.9 | -53.5 | 160.2 | 0 | 0 | 0 | 109.9 | P1407 E1608 Y1758 W1779 Y1812 P1818 | P1407-L1409 VanDerWaalsContact C-N 3.27Å; P1407-L1409 PolarHBondContact O-N 3.07Å; L1409-E1608 HydrophobicContact CB-CB 4.32Å; L1409-E1608 PolarHBondContact O-N 3.12Å; L1409-Y1758 HydrophobicContact CD1-CE1 4.43Å; L1409-W1779 HydrophobicContact CD2-CB 4.29Å; L1409-Y1812 HydrophobicContact CD1-CD1 4.17Å; L1409-Y1812 HydrophobicContact CD1-CD2 4.27Å; L1409-Y1812 HydrophobicContact CD1-CE1 4.23Å; L1409-Y1812 HydrophobicContact CD1-CE2 4.33Å; L1409-Y1812 HydrophobicContact CD1-CG 4.18Å; L1409-Y1812 HydrophobicContact CD2-CD1 4.4Å; L1409-Y1812 HydrophobicContact CD2-CD2 3.52Å; L1409-Y1812 VanDerWaalsContact CD2-CD2 3.48Å; L1409-Y1812 HydrophobicContact CD2-CE2 4.21Å; L1409-Y1812 HydrophobicContact CD2-CG 3.62Å; L1409-Y1812 HydrophobicContact CG-CD2 4.48Å; L1409-P1818 HydrophobicContact CD2-CG 4.1Å |
| 1410 | Y | 89.5 | Confident | 87.2 | Confident | 1.2 Ų | 1.2 | 31.4 Ų | 31.4 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 150.3 | 166.3 | -63.6 | -97.2 | 0 | 0 | 0 | 109.7 | D1354 P1407 L1605 I1606 P1607 Q1777 V1778 P1780 V1786 S1787 T1788 | D1354-Y1410 VanDerWaalsContact OD2-CE1 3.28Å; D1354-Y1410 WeakPolarHBondContact OD2-CE1 3.38Å; D1354-Y1410 PolarHBondContact OD2-OH 2.99Å; D1354-Y1410 VanDerWaalsContact OD2-OH 3.13Å; P1407-Y1410 HydrophobicContact CG-CD1 4.37Å; P1407-Y1410 HydrophobicContact CG-CD2 4.46Å; P1407-Y1410 HydrophobicContact CG-CE1 3.79Å; P1407-Y1410 HydrophobicContact CG-CE2 3.72Å; P1407-Y1410 VanDerWaalsContact CG-OH 3.23Å; P1407-Y1410 WeakPolarHBondContact CG-OH 3.41Å; Y1410-L1605 HydrophobicContact CD1-CD1 4.38Å; Y1410-L1605 HydrophobicContact CD1-CD2 4.1Å; Y1410-L1605 HydrophobicContact CD1-CG 3.89Å; Y1410-L1605 HydrophobicContact CE1-CD2 4.41Å; Y1410-L1605 HydrophobicContact CG-CD1 4.21Å; Y1410-L1605 HydrophobicContact CG-CD2 4.46Å; Y1410-L1605 HydrophobicContact CG-CG 4.22Å; Y1410-I1606 CarbonylContact C-O 3.58Å; Y1410-I1606 VanDerWaalsContact CA-O 3.25Å; Y1410-I1606 WeakPolarHBondContact CA-O 3.38Å; Y1410-P1607 HydrophobicContact CD1-CB 3.93Å; Y1410-P1607 HydrophobicContact CE1-CB 3.87Å; Y1410-Q1777 CarbonylContact O-C 3.54Å; Y1410-Q1777 WeakPolarHBondContact O-CA 3.3Å; Y1410-V1778 PolarHBondContact N-O 3.06Å; Y1410-V1778 PolarHBondContact O-N 3.13Å; Y1410-V1778 VanDerWaalsContact O-O 3.1Å; Y1410-P1780 HydrophobicContact CD2-CG 4.21Å; Y1410-P1780 HydrophobicContact CE2-CG 3.94Å; Y1410-V1786 PolarHBondContact OH-O 3.26Å; Y1410-S1787 WeakPolarHBondContact OH-CA 3.17Å; Y1410-T1788 HydrophobicContact CD1-CG2 4.34Å; Y1410-T1788 HydrophobicContact CE1-CG2 4.05Å |
| 1411 | R | 88.5 | Confident | 87.1 | Confident | 48.4 Ų | 48.4 | 25.4 Ų | 25.4 | 18% | 0.183 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 119.7 | 166.7 | -174.3 | 179.6 | -74.9 | -141.2 | -0.1 | 108.6 | L1605 I1606 E1608 E1772 S1775 | R1411-L1605 WeakPolarHBondContact O-CA 3.47Å; R1411-I1606 PolarHBondContact N-O 3.24Å; R1411-I1606 PolarHBondContact O-N 3.2Å; R1411-E1608 HydrophobicContact CB-CG 4.37Å; R1411-E1608 IonicContact CZ-OE1 3.67Å; R1411-E1608 VanDerWaalsContact CZ-OE1 3.31Å; R1411-E1608 IonicContact NE-OE1 3.3Å; R1411-E1608 PolarHBondContact NE-OE1 3.09Å; R1411-E1608 IonicContact NH2-OE1 3.15Å; R1411-E1608 PolarHBondContact NH2-OE1 3.18Å; R1411-E1772 IonicContact CZ-OE2 3.99Å; R1411-E1772 IonicContact NE-OE2 3.53Å; R1411-E1772 IonicContact NH1-OE2 3.84Å; R1411-E1772 PolarHBondContact NH1-OE2 3.19Å; R1411-E1772 IonicContact NH2-OE2 3.04Å; R1411-E1772 PolarHBondContact NH2-OE2 2.89Å; R1411-S1775 VanDerWaalsContact NE-CB 3.3Å; R1411-S1775 PolarHBondContact NE-OG 3.05Å; R1411-S1775 PolarHBondContact NH1-OG 2.86Å; R1411-S1775 VanDerWaalsContact NH2-CB 3.32Å; R1411-S1775 PolarHBondContact NH2-OG 2.78Å |
| 1412 | L | 88.8 | Confident | 86.8 | Confident | 1.4 Ų | 1.4 | 24.5 Ų | 24.5 | 1% | 0.007 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 106.8 | 169.5 | -180 | 64.8 | 0 | 0 | 0 | 107.9 | L1500 F1504 F1603 S1604 L1605 L1730 S1775 I1776 V1778 W1791 | L1412-L1500 HydrophobicContact CD2-CD1 4.05Å; L1412-F1504 HydrophobicContact CD2-CE2 4.19Å; L1412-F1504 HydrophobicContact CD2-CZ 4.33Å; L1412-F1504 HydrophobicContact CG-CE2 4.32Å; L1412-F1504 HydrophobicContact CG-CZ 4.12Å; L1412-F1504 WeakPolarHBondContact O-CZ 3.35Å; L1412-F1603 HydrophobicContact CD1-CB 4.42Å; L1412-S1604 CarbonylContact C-O 3.56Å; L1412-S1604 WeakPolarHBondContact CA-O 3.38Å; L1412-L1605 HydrophobicContact CB-CD1 4.26Å; L1412-L1605 HydrophobicContact CD1-CD1 4.31Å; L1412-L1730 HydrophobicContact CD2-CD2 4.13Å; L1412-S1775 CarbonylContact O-C 3.54Å; L1412-S1775 VanDerWaalsContact O-CA 3.24Å; L1412-S1775 WeakPolarHBondContact O-CA 3.3Å; L1412-I1776 HydrophobicContact CB-CG2 3.99Å; L1412-I1776 HydrophobicContact CD2-CG2 4.24Å; L1412-I1776 HydrophobicContact CG-CG2 4.44Å; L1412-I1776 PolarHBondContact N-O 3.14Å; L1412-I1776 PolarHBondContact O-N 3Å; L1412-V1778 HydrophobicContact CB-CG1 4.47Å; L1412-V1778 HydrophobicContact CB-CG2 4.03Å; L1412-W1791 HydrophobicContact CD1-CH2 4.1Å; L1412-W1791 HydrophobicContact CD1-CZ2 3.79Å |
| 1413 | G | 86.1 | Confident | 86.1 | Confident | 0.4 Ų | 0.4 | 24.6 Ų | 24.6 | 0% | 0.004 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 145.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1603 S1604 | G1413-F1603 VanDerWaalsContact O-CA 3.27Å; G1413-F1603 WeakPolarHBondContact O-CA 3.27Å; G1413-S1604 PolarHBondContact N-O 3.07Å; G1413-S1604 PolarHBondContact O-N 3.02Å; G1413-S1604 PolarHBondContact O-OG 2.84Å |
| 1414 | M | 85.9 | Confident | 85.3 | Confident | 1.6 Ų | 1.6 | 27.6 Ų | 27.6 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 134.1 | 176.9 | -178.6 | -175 | 71.3 | 0 | 0 | 111.4 | V1416 F1504 W1508 L1601 D1602 F1603 E1772 I1773 A1774 | M1414-V1416 HydrophobicContact CE-CG2 4.13Å; M1414-V1416 HydrophobicContact CG-CG2 4.46Å; M1414-F1504 HydrophobicContact CB-CD1 4.18Å; M1414-F1504 HydrophobicContact CB-CD2 4.37Å; M1414-F1504 HydrophobicContact CB-CE1 4.07Å; M1414-F1504 HydrophobicContact CB-CE2 4.28Å; M1414-F1504 HydrophobicContact CB-CG 4.31Å; M1414-F1504 HydrophobicContact CB-CZ 4.12Å; M1414-F1504 HydrophobicContact CE-CB 3.9Å; M1414-F1504 HydrophobicContact CE-CD1 4.36Å; M1414-F1504 HydrophobicContact CE-CG 4.21Å; M1414-F1504 HydrophobicContact SD-CB 3.75Å; M1414-F1504 HydrophobicContact SD-CD1 4.33Å; M1414-F1504 HydrophobicContact SD-CD2 4.14Å; M1414-F1504 HydrophobicContact SD-CG 3.86Å; M1414-W1508 HydrophobicContact CE-CD2 4.35Å; M1414-W1508 VanDerWaalsContact CE-CE2 3.42Å; M1414-W1508 HydrophobicContact CE-CH2 4.39Å; M1414-W1508 HydrophobicContact CE-CZ2 3.62Å; M1414-W1508 VanDerWaalsContact CE-CZ2 3.48Å; M1414-W1508 HydrophobicContact SD-CD2 4.4Å; M1414-W1508 HydrophobicContact SD-CG 4.5Å; M1414-L1601 HydrophobicContact SD-CD1 4.37Å; M1414-L1601 HydrophobicContact SD-CD2 4.41Å; M1414-D1602 CarbonylContact C-O 3.56Å; M1414-D1602 WeakPolarHBondContact CA-O 3.25Å; M1414-F1603 HydrophobicContact CB-CD1 3.94Å; M1414-F1603 HydrophobicContact CB-CE1 3.74Å; M1414-F1603 HydrophobicContact CG-CD1 4.05Å; M1414-F1603 HydrophobicContact CG-CE1 3.48Å; M1414-F1603 VanDerWaalsContact CG-CE1 3.42Å; M1414-F1603 HydrophobicContact CG-CZ 3.9Å; M1414-F1603 HydrophobicContact SD-CE1 3.72Å; M1414-F1603 HydrophobicContact SD-CZ 3.89Å; M1414-E1772 WeakPolarHBondContact O-CA 3.16Å; M1414-I1773 PolarHBondContact O-N 3.2Å; M1414-I1773 VanDerWaalsContact O-N 3.11Å; M1414-A1774 HydrophobicContact CE-CB 4.36Å; M1414-A1774 PolarHBondContact N-O 2.82Å |
| 1415 | R | 83.5 | Confident | 84.4 | Confident | 15.4 Ų | 15.4 | 27.5 Ų | 27.5 | 6% | 0.058 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 150 | 171.9 | -54.5 | -170.7 | -169.6 | 168 | 8.3 | 110.5 | Y1417 E1453 L1601 D1602 G1768 N1771 E1772 | R1415-Y1417 HydrophobicContact CB-CE2 4.2Å; R1415-E1453 IonicContact CZ-OE2 2.84Å; R1415-E1453 IonicContact NH1-OE1 3.53Å; R1415-E1453 IonicContact NH1-OE2 3.66Å; R1415-E1453 PolarHBondContact NH1-OE2 3.44Å; R1415-E1453 IonicContact NH2-OE2 3.43Å; R1415-L1601 WeakPolarHBondContact O-CA 3.38Å; R1415-D1602 HydrophobicContact CB-CB 4.21Å; R1415-D1602 PolarHBondContact N-O 3.13Å; R1415-D1602 PolarHBondContact O-N 3.25Å; R1415-G1768 PolarHBondContact NH1-O 2.74Å; R1415-N1771 WeakPolarHBondContact CG-O 3.41Å; R1415-E1772 HydrophobicContact CG-CG 3.88Å; R1415-E1772 IonicContact CZ-OE1 3.61Å; R1415-E1772 VanDerWaalsContact NE-CG 3.28Å; R1415-E1772 IonicContact NE-OE1 3.37Å; R1415-E1772 PolarHBondContact NE-OE1 3.25Å; R1415-E1772 IonicContact NH2-OE1 3Å; R1415-E1772 PolarHBondContact NH2-OE1 3.14Å |
| 1416 | V | 84.8 | Confident | 83.4 | Confident | 27 Ų | 27 | 31.6 Ų | 31.6 | 16% | 0.164 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 117 | -169.8 | -176.5 | 0 | 0 | 0 | 0 | 109.3 | M1414 R1418 W1508 L1599 L1601 I1773 | M1414-V1416 HydrophobicContact CE-CG2 4.13Å; M1414-V1416 HydrophobicContact CG-CG2 4.46Å; V1416-R1418 HydrophobicContact CG1-CG 4.4Å; V1416-W1508 HydrophobicContact CB-CH2 4.45Å; V1416-W1508 HydrophobicContact CB-CZ3 4.47Å; V1416-W1508 HydrophobicContact CG1-CH2 4.04Å; V1416-W1508 HydrophobicContact CG1-CZ3 3.72Å; V1416-W1508 HydrophobicContact CG2-CH2 3.61Å; V1416-W1508 HydrophobicContact CG2-CZ2 4.17Å; V1416-W1508 HydrophobicContact CG2-CZ3 3.9Å; V1416-L1599 HydrophobicContact CG1-CD1 3.71Å; V1416-L1601 HydrophobicContact CB-CD2 4.11Å; V1416-L1601 HydrophobicContact CG1-CD2 3.91Å; V1416-L1601 HydrophobicContact CG2-CD2 3.76Å; V1416-I1773 HydrophobicContact CB-CD1 3.69Å; V1416-I1773 HydrophobicContact CG2-CD1 3.56Å; V1416-I1773 VanDerWaalsContact CG2-CD1 3.49Å; V1416-I1773 HydrophobicContact CG2-CG1 4.32Å |
| 1417 | Y | 83.7 | Confident | 82.3 | Confident | 46 Ų | 46 | 33.1 Ų | 33.1 | 18% | 0.18 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 116.5 | 175.7 | -59.6 | -80.7 | 0 | 0 | 0 | 110.1 | R1415 V1420 P1450 R1600 D1602 | R1415-Y1417 HydrophobicContact CB-CE2 4.2Å; Y1417-V1420 VanDerWaalsContact CB-CG2 3.47Å; Y1417-P1450 HydrophobicContact CD1-CB 3.86Å; Y1417-P1450 HydrophobicContact CD1-CG 3.82Å; Y1417-P1450 HydrophobicContact CD2-CG 4.12Å; Y1417-P1450 HydrophobicContact CE1-CB 3.79Å; Y1417-P1450 HydrophobicContact CE1-CG 4.19Å; Y1417-P1450 HydrophobicContact CE2-CG 4.42Å; Y1417-P1450 HydrophobicContact CG-CB 4.3Å; Y1417-P1450 HydrophobicContact CG-CG 3.78Å; Y1417-R1600 HydrophobicContact CD2-CG 4.47Å; Y1417-R1600 PolarHBondContact N-O 3.12Å; Y1417-R1600 PolarHBondContact O-N 3.26Å; Y1417-D1602 HydrophobicContact CD2-CB 4.33Å; Y1417-D1602 HydrophobicContact CE2-CB 3.96Å; Y1417-D1602 VanDerWaalsContact CE2-OD2 3.27Å; Y1417-D1602 WeakPolarHBondContact CE2-OD2 3.22Å |
| 1418 | R | 82.7 | Confident | 81.3 | Confident | 139.8 Ų | 139.8 | 36.8 Ų | 36.8 | 53% | 0.528 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 153.3 | 179.5 | -67 | 176.9 | 174.1 | -106.3 | -8.2 | 110.8 | V1416 V1420 E1511 L1599 | V1416-R1418 HydrophobicContact CG1-CG 4.4Å; R1418-V1420 VanDerWaalsContact C-N 3.28Å; R1418-V1420 PolarHBondContact O-N 3.11Å; R1418-E1511 IonicContact CZ-OE1 3Å; R1418-E1511 VanDerWaalsContact CZ-OE1 3.27Å; R1418-E1511 IonicContact CZ-OE2 3.17Å; R1418-E1511 VanDerWaalsContact CZ-OE2 3.22Å; R1418-E1511 IonicContact NE-OE1 3.5Å; R1418-E1511 PolarHBondContact NE-OE1 3.02Å; R1418-E1511 VanDerWaalsContact NH1-CD 3.31Å; R1418-E1511 IonicContact NH1-OE1 3.24Å; R1418-E1511 PolarHBondContact NH1-OE1 2.95Å; R1418-E1511 IonicContact NH1-OE2 3.15Å; R1418-E1511 PolarHBondContact NH1-OE2 3.15Å; R1418-E1511 VanDerWaalsContact NH2-CD 3.34Å; R1418-E1511 IonicContact NH2-OE1 3.31Å; R1418-E1511 PolarHBondContact NH2-OE1 3.36Å; R1418-E1511 VanDerWaalsContact NH2-OE1 3.1Å; R1418-E1511 IonicContact NH2-OE2 3.22Å; R1418-E1511 PolarHBondContact NH2-OE2 3.11Å; R1418-L1599 HydrophobicContact CB-CD1 4.49Å; R1418-L1599 HydrophobicContact CG-CD1 3.79Å |
| 1419 | N | 81.5 | Confident | 80.5 | Confident | 113.4 Ų | 113.4 | 39.8 Ų | 39.8 | 61% | 0.606 | 22% | 0.222 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 56.9 | 36.6 | -179.8 | -56.1 | -29.8 | 0 | 0 | 0 | 113.7 | H1597 G1598 | N1419-H1597 VanDerWaalsContact C-CE1 3.47Å; N1419-H1597 PolarHBondContact O-CE1 3.24Å; N1419-H1597 VanDerWaalsContact O-CE1 3.28Å; N1419-G1598 PolarHBondContact N-O 3.03Å; N1419-G1598 VanDerWaalsContact N-O 3.09Å |
| 1420 | V | 82.4 | Confident | 79.3 | Confident | 1.6 Ų | 1.6 | 41.9 Ų | 41.9 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 136.9 | 177.4 | -178.2 | 0 | 0 | 0 | 0 | 109.6 | Y1417 R1418 T1422 Y1448 F1449 P1450 H1597 G1598 R1600 | Y1417-V1420 VanDerWaalsContact CB-CG2 3.47Å; R1418-V1420 VanDerWaalsContact C-N 3.28Å; R1418-V1420 PolarHBondContact O-N 3.11Å; V1420-T1422 HydrophobicContact CB-CG2 4.48Å; V1420-T1422 HydrophobicContact CG1-CG2 3.63Å; V1420-Y1448 WeakPolarHBondContact CA-O 3.39Å; V1420-Y1448 WeakPolarHBondContact CG1-O 3.22Å; V1420-F1449 HydrophobicContact CG1-CD2 4.3Å; V1420-P1450 HydrophobicContact CG1-CG 4.41Å; V1420-P1450 HydrophobicContact CG2-CG 4.05Å; V1420-H1597 WeakPolarHBondContact O-CA 3.36Å; V1420-G1598 PolarHBondContact N-O 3.1Å; V1420-G1598 PolarHBondContact O-N 3.06Å; V1420-R1600 HydrophobicContact CB-CB 4.28Å; V1420-R1600 HydrophobicContact CG1-CB 4.34Å; V1420-R1600 HydrophobicContact CG2-CB 4.19Å |
| 1421 | T | 82.9 | Confident | 77.9 | Confident | 4.6 Ų | 4.6 | 47.6 Ų | 47.6 | 3% | 0.028 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 118 | 171 | 6.7 | 0 | 0 | 0 | 0 | 110.2 | C1440 H1446 G1447 Y1448 Y1520 C1595 S1596 H1597 | T1421-C1440 HydrophobicContact CG2-CB 4.21Å; T1421-H1446 VanDerWaalsContact CB-O 3.29Å; T1421-H1446 WeakPolarHBondContact CB-O 3.31Å; T1421-H1446 HydrophobicContact CG2-CB 4.47Å; T1421-H1446 WeakPolarHBondContact CG2-O 3.47Å; T1421-H1446 PolarHBondContact OG1-O 2.93Å; T1421-G1447 VanDerWaalsContact OG1-CA 3.31Å; T1421-G1447 WeakPolarHBondContact OG1-CA 3.19Å; T1421-Y1448 PolarHBondContact N-O 3.04Å; T1421-Y1448 VanDerWaalsContact N-O 3.11Å; T1421-Y1448 PolarHBondContact OG1-N 3.3Å; T1421-Y1520 HydrophobicContact CG2-CE2 4.24Å; T1421-C1595 HydrophobicContact CG2-CB 4.25Å; T1421-S1596 WeakPolarHBondContact CA-O 3.34Å; T1421-H1597 HydrophobicContact CG2-CB 4.1Å; T1421-H1597 VanDerWaalsContact CG2-CD2 3.46Å; T1421-H1597 WeakPolarHBondContact CG2-CD2 3.24Å; T1421-H1597 WeakPolarHBondContact CG2-ND1 3.47Å; T1421-H1597 PolarHBondContact OG1-CD2 3.06Å; T1421-H1597 VanDerWaalsContact OG1-CD2 3.25Å |
| 1422 | T | 80.9 | Confident | 76.6 | Confident | 2.4 Ų | 2.4 | 49 Ų | 49 | 2% | 0.015 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 155.3 | -174.9 | 53.9 | 0 | 0 | 0 | 0 | 111.4 | V1420 L1437 A1438 C1440 F1449 L1495 C1595 S1596 | V1420-T1422 HydrophobicContact CB-CG2 4.48Å; V1420-T1422 HydrophobicContact CG1-CG2 3.63Å; T1422-L1437 HydrophobicContact CG2-CD1 3.81Å; T1422-L1437 HydrophobicContact CG2-CD2 4.09Å; T1422-A1438 WeakPolarHBondContact CA-O 3.11Å; T1422-C1440 PolarHBondContact O-SG 3.22Å; T1422-C1440 VanDerWaalsContact O-SG 3.38Å; T1422-F1449 HydrophobicContact CG2-CD2 3.99Å; T1422-F1449 HydrophobicContact CG2-CE2 3.9Å; T1422-L1495 HydrophobicContact CG2-CD1 4.38Å; T1422-L1495 HydrophobicContact CG2-CD2 4.09Å; T1422-L1495 VanDerWaalsContact OG1-CD1 3.3Å; T1422-L1495 WeakPolarHBondContact OG1-CD1 3.41Å; T1422-C1595 CarbonylContact O-C 3.57Å; T1422-C1595 VanDerWaalsContact O-CA 3.25Å; T1422-C1595 WeakPolarHBondContact O-CA 3.35Å; T1422-C1595 VanDerWaalsContact O-CB 3.29Å; T1422-C1595 WeakPolarHBondContact O-CB 3.36Å; T1422-S1596 PolarHBondContact N-O 2.88Å; T1422-S1596 PolarHBondContact O-N 3.24Å; T1422-S1596 PolarHBondContact O-OG 2.98Å; T1422-S1596 PolarHBondContact OG1-O 2.99Å; T1422-S1596 VanDerWaalsContact OG1-O 3.07Å; T1422-S1596 PolarHBondContact OG1-OG 2.98Å |
| 1423 | A | 77.7 | Confident | 75.4 | Confident | 1.8 Ų | 1.8 | 54.6 Ų | 54.6 | 2% | 0.015 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 144.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | V1425 A1438 C1440 Q1593 | A1423-V1425 HydrophobicContact CB-CG2 4.48Å; A1423-A1438 PolarHBondContact N-O 3.11Å; A1423-A1438 PolarHBondContact O-N 2.86Å; A1423-A1438 VanDerWaalsContact O-O 3.1Å; A1423-C1440 HydrophobicContact CB-CB 4.46Å; A1423-Q1593 HydrophobicContact CB-CG 4.43Å; A1423-Q1593 VanDerWaalsContact CB-NE2 3.34Å |
| 1424 | T | 75.7 | Confident | 74.4 | Confident | 90 Ų | 90 | 58.5 Ų | 58.5 | 55% | 0.552 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 114 | 169.9 | 45.9 | 0 | 0 | 0 | 0 | 108.8 | V1436 L1437 | T1424-V1436 WeakPolarHBondContact CA-O 3.31Å; T1424-L1437 HydrophobicContact CG2-CD2 4.34Å |
| 1425 | V | 72.6 | Confident | 73.5 | Confident | 45.6 Ų | 45.6 | 61.3 Ų | 61.3 | 28% | 0.276 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 126.5 | -179.8 | -179.4 | 0 | 0 | 0 | 0 | 108.4 | A1423 D1427 V1436 A1438 | A1423-V1425 HydrophobicContact CB-CG2 4.48Å; V1425-D1427 PolarHBondContact O-N 3.07Å; V1425-V1436 PolarHBondContact N-O 3.19Å; V1425-V1436 PolarHBondContact O-N 2.87Å; V1425-A1438 HydrophobicContact CB-CB 4.43Å; V1425-A1438 HydrophobicContact CG2-CB 3.93Å |
| 1426 | P | 72.3 | Confident | 72.9 | Confident | 86.8 Ų | 86.8 | 61.5 Ų | 61.5 | 56% | 0.564 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65 | 120.5 | 174.7 | 26.3 | -32.5 | 0 | 0 | 0 | 110 | H1433 | P1426-H1433 WeakPolarHBondContact CA-O 3.27Å; P1426-H1433 HydrophobicContact CB-CB 4.24Å; P1426-H1433 VanDerWaalsContact CB-O 3.28Å; P1426-H1433 WeakPolarHBondContact CB-O 3.42Å |
| 1427 | D | 67.6 | Low | 72.4 | Confident | 37.6 Ų | 37.6 | 60.8 Ų | 60.8 | 20% | 0.201 | 36% | 0.357 | C | S | . | . | trans | -88.1 | 118.5 | 179.3 | -169.6 | -24.1 | 0 | 0 | 0 | 110.4 | V1425 S1429 L1430 H1433 R1434 V1436 S1474 Y1476 | V1425-D1427 PolarHBondContact O-N 3.07Å; D1427-S1429 VanDerWaalsContact C-N 3.27Å; D1427-S1429 PolarHBondContact O-N 3.15Å; D1427-S1429 WeakPolarHBondContact OD1-CB 3.44Å; D1427-S1429 PolarHBondContact OD1-N 2.98Å; D1427-S1429 PolarHBondContact OD1-OG 2.97Å; D1427-S1429 PolarHBondContact OD2-OG 3.1Å; D1427-S1429 VanDerWaalsContact OD2-OG 3.12Å; D1427-L1430 HydrophobicContact CB-CB 4.42Å; D1427-L1430 HydrophobicContact CB-CD1 4.06Å; D1427-L1430 HydrophobicContact CB-CG 4.14Å; D1427-L1430 PolarHBondContact O-N 3.16Å; D1427-L1430 VanDerWaalsContact O-N 3.12Å; D1427-H1433 WeakPolarHBondContact O-CA 3.37Å; D1427-R1434 PolarHBondContact N-O 3.15Å; D1427-R1434 VanDerWaalsContact N-O 3.09Å; D1427-V1436 HydrophobicContact CB-CB 4.31Å; D1427-V1436 HydrophobicContact CB-CG2 3.62Å; D1427-S1474 PolarHBondContact OD2-OG 3.17Å; D1427-Y1476 WeakPolarHBondContact OD2-CD2 3.42Å | ||
| 1428 | A | 68.7 | Low | 72 | Confident | 79.2 Ų | 79.2 | 59.7 Ų | 59.7 | 66% | 0.655 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -18.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1430 | A1428-L1430 VanDerWaalsContact C-N 3.31Š|
| 1429 | S | 67 | Low | 71.8 | Confident | 75.2 Ų | 75.2 | 55.7 Ų | 55.7 | 53% | 0.526 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -20.9 | 175.4 | 70.7 | 0 | 0 | 0 | 0 | 113 | D1427 | D1427-S1429 VanDerWaalsContact C-N 3.27Å; D1427-S1429 PolarHBondContact O-N 3.15Å; D1427-S1429 WeakPolarHBondContact OD1-CB 3.44Å; D1427-S1429 PolarHBondContact OD1-N 2.98Å; D1427-S1429 PolarHBondContact OD1-OG 2.97Å; D1427-S1429 PolarHBondContact OD2-OG 3.1Å; D1427-S1429 VanDerWaalsContact OD2-OG 3.12Å |
| 1430 | L | 63.3 | Low | 71.7 | Confident | 59.6 Ų | 59.6 | 51.1 Ų | 51.1 | 31% | 0.312 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -92.4 | 138.3 | -177.3 | -64.2 | 179.8 | 0 | 0 | 0 | 111.8 | D1427 A1428 G1432 H1433 R1434 V1436 | D1427-L1430 HydrophobicContact CB-CB 4.42Å; D1427-L1430 HydrophobicContact CB-CD1 4.06Å; D1427-L1430 HydrophobicContact CB-CG 4.14Å; D1427-L1430 PolarHBondContact O-N 3.16Å; D1427-L1430 VanDerWaalsContact O-N 3.12Å; A1428-L1430 VanDerWaalsContact C-N 3.31Å; L1430-G1432 PolarHBondContact O-N 3.09Å; L1430-G1432 VanDerWaalsContact O-N 3.15Å; L1430-H1433 PolarHBondContact O-N 3.09Å; L1430-R1434 HydrophobicContact CB-CB 4.05Å; L1430-R1434 HydrophobicContact CD1-CB 4.09Å; L1430-V1436 HydrophobicContact CD1-CG2 3.48Å; L1430-V1436 VanDerWaalsContact CD1-CG2 3.44Å |
| 1431 | P | 59.4 | Low | 71.3 | Confident | 121.6 Ų | 121.6 | 58.7 Ų | 58.7 | 79% | 0.79 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 125.3 | 175 | -25.9 | 33.9 | 0 | 0 | 0 | 111.9 | H1433 | P1431-H1433 VanDerWaalsContact C-N 3.3Å; P1431-H1433 PolarHBondContact O-N 2.88Å |
| 1432 | G | 62.3 | Low | 70.7 | Confident | 77.8 Ų | 77.8 | 59.7 Ų | 59.7 | 80% | 0.802 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.1 | 15.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L1430 R1434 | L1430-G1432 PolarHBondContact O-N 3.09Å; L1430-G1432 VanDerWaalsContact O-N 3.15Å; G1432-R1434 VanDerWaalsContact C-N 3.3Å; G1432-R1434 PolarHBondContact O-N 3.06Å |
| 1433 | H | 63.4 | Low | 70.2 | Confident | 119.8 Ų | 119.8 | 63.4 Ų | 63.4 | 56% | 0.555 | 38% | 0.376 | S | S | * | . | trans | 55.1 | 44 | 179.6 | -60.3 | -20.2 | 0 | 0 | 0 | 112.8 | P1426 D1427 L1430 P1431 | P1426-H1433 WeakPolarHBondContact CA-O 3.27Å; P1426-H1433 HydrophobicContact CB-CB 4.24Å; P1426-H1433 VanDerWaalsContact CB-O 3.28Å; P1426-H1433 WeakPolarHBondContact CB-O 3.42Å; D1427-H1433 WeakPolarHBondContact O-CA 3.37Å; L1430-H1433 PolarHBondContact O-N 3.09Å; P1431-H1433 VanDerWaalsContact C-N 3.3Å; P1431-H1433 PolarHBondContact O-N 2.88Å | ||
| 1434 | R | 63.6 | Low | 69.8 | Low | 82.4 Ų | 82.4 | 68.7 Ų | 68.7 | 31% | 0.311 | 40% | 0.399 | S | S | . | . | trans | -55.5 | 135 | -173.1 | -154.4 | -179.8 | -175.4 | 177.6 | 1.9 | 110.6 | D1427 L1430 G1432 V1436 R1793 L1794 A1797 P1798 T1801 | D1427-R1434 PolarHBondContact N-O 3.15Å; D1427-R1434 VanDerWaalsContact N-O 3.09Å; L1430-R1434 HydrophobicContact CB-CB 4.05Å; L1430-R1434 HydrophobicContact CD1-CB 4.09Å; G1432-R1434 VanDerWaalsContact C-N 3.3Å; G1432-R1434 PolarHBondContact O-N 3.06Å; R1434-V1436 PolarHBondContact O-N 2.99Å; R1434-R1793 PolarHBondContact NH1-O 2.87Å; R1434-L1794 VanDerWaalsContact NH2-CD2 3.26Å; R1434-A1797 VanDerWaalsContact NH2-CB 3.31Å; R1434-P1798 VanDerWaalsContact NH2-CG 3.34Å; R1434-T1801 VanDerWaalsContact NH2-CB 3.29Å; R1434-T1801 PolarHBondContact NH2-OG1 2.99Å | ||
| 1435 | P | 67.4 | Low | 69.4 | Low | 59.2 Ų | 59.2 | 73.1 Ų | 73.1 | 38% | 0.384 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 128.1 | 177.1 | 26.7 | -33.4 | 0 | 0 | 0 | 110.5 | G1796 P1798 | P1435-G1796 VanDerWaalsContact O-O 3.12Å; P1435-P1798 HydrophobicContact CG-CG 4.17Å |
| 1436 | V | 70.6 | Confident | 68.9 | Low | 20.8 Ų | 20.8 | 73.7 Ų | 73.7 | 13% | 0.126 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 142.8 | 175.7 | 177.2 | 0 | 0 | 0 | 0 | 109.5 | T1424 V1425 D1427 L1430 R1434 A1438 Y1476 G1796 | T1424-V1436 WeakPolarHBondContact CA-O 3.31Å; V1425-V1436 PolarHBondContact N-O 3.19Å; V1425-V1436 PolarHBondContact O-N 2.87Å; D1427-V1436 HydrophobicContact CB-CB 4.31Å; D1427-V1436 HydrophobicContact CB-CG2 3.62Å; L1430-V1436 HydrophobicContact CD1-CG2 3.48Å; L1430-V1436 VanDerWaalsContact CD1-CG2 3.44Å; R1434-V1436 PolarHBondContact O-N 2.99Å; V1436-A1438 PolarHBondContact O-N 3.2Å; V1436-Y1476 HydrophobicContact CG1-CE2 3.73Å; V1436-Y1476 WeakPolarHBondContact CG1-OH 3.37Å; V1436-G1796 CarbonylContact C-O 3.57Å; V1436-G1796 VanDerWaalsContact CA-O 3.3Å; V1436-G1796 WeakPolarHBondContact CA-O 3.39Å |
| 1437 | L | 74.9 | Confident | 68.5 | Low | 11.4 Ų | 11.4 | 71.7 Ų | 71.7 | 6% | 0.06 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 118.9 | 173.7 | -92 | 125.8 | 0 | 0 | 0 | 111.1 | T1422 T1424 A1493 L1495 G1796 | T1422-L1437 HydrophobicContact CG2-CD1 3.81Å; T1422-L1437 HydrophobicContact CG2-CD2 4.09Å; T1424-L1437 HydrophobicContact CG2-CD2 4.34Å; L1437-A1493 HydrophobicContact CD1-CB 3.74Å; L1437-A1493 VanDerWaalsContact CD1-CB 3.4Å; L1437-A1493 HydrophobicContact CD2-CB 3.71Å; L1437-L1495 HydrophobicContact CD1-CD1 3.78Å; L1437-L1495 HydrophobicContact CD1-CD2 4.47Å; L1437-L1495 HydrophobicContact CD1-CG 4.36Å; L1437-L1495 HydrophobicContact CD2-CD1 3.58Å; L1437-L1495 HydrophobicContact CD2-CD2 4.27Å; L1437-L1495 HydrophobicContact CD2-CG 3.94Å; L1437-L1495 HydrophobicContact CG-CD1 4.03Å; L1437-L1495 HydrophobicContact CG-CG 4.45Å; L1437-G1796 WeakPolarHBondContact CD1-O 3.49Å; L1437-G1796 PolarHBondContact N-O 3.31Å |
| 1438 | A | 75.1 | Confident | 68.8 | Low | 23 Ų | 23 | 76.2 Ų | 76.2 | 19% | 0.19 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 165.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | T1422 A1423 V1425 V1436 F1449 | T1422-A1438 WeakPolarHBondContact CA-O 3.11Å; A1423-A1438 PolarHBondContact N-O 3.11Å; A1423-A1438 PolarHBondContact O-N 2.86Å; A1423-A1438 VanDerWaalsContact O-O 3.1Å; V1425-A1438 HydrophobicContact CB-CB 4.43Å; V1425-A1438 HydrophobicContact CG2-CB 3.93Å; V1436-A1438 PolarHBondContact O-N 3.2Å; A1438-F1449 VanDerWaalsContact O-CE2 3.26Å; A1438-F1449 WeakPolarHBondContact O-CE2 3.39Å |
| 1439 | S | 79.1 | Confident | 69 | Low | 56.8 Ų | 56.8 | 74.6 Ų | 74.6 | 40% | 0.397 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 144.4 | 165 | 58.2 | 0 | 0 | 0 | 0 | 110.6 | R1441 | S1439-R1441 PolarHBondContact O-N 3.21Å |
| 1440 | C | 79.3 | Confident | 69.2 | Low | 16.4 Ų | 16.4 | 71.1 Ų | 71.1 | 11% | 0.111 | 38% | 0.377 | C | S | . | . | trans | -61.3 | 124.6 | 170.9 | -135.8 | 0 | 0 | 0 | 0 | 110.7 | T1421 T1422 A1423 T1442 Y1520 C1595 | T1421-C1440 HydrophobicContact CG2-CB 4.21Å; T1422-C1440 PolarHBondContact O-SG 3.22Å; T1422-C1440 VanDerWaalsContact O-SG 3.38Å; A1423-C1440 HydrophobicContact CB-CB 4.46Å; C1440-T1442 HydrophobicContact CB-CG2 4.19Å; C1440-T1442 PolarHBondContact O-N 3.15Å; C1440-T1442 PolarHBondContact O-OG1 3Å; C1440-T1442 VanDerWaalsContact SG-CG2 3.52Å; C1440-T1442 WeakPolarHBondContact SG-CG2 3.23Å; C1440-Y1520 VanDerWaalsContact SG-CD2 3.54Å; C1440-C1595 HydrophobicContact CB-CB 4.02Å; C1440-C1595 WeakPolarHBondContact CB-SG 3.36Å; C1440-C1595 WeakPolarHBondContact SG-CB 3.38Å; C1440-C1595 CovalentContact SG-SG 2.02Å; C1440-C1595 PolarHBondContact SG-SG 2.94Å | ||
| 1441 | R | 73.7 | Confident | 69.2 | Low | 161 Ų | 161 | 72 Ų | 72 | 61% | 0.608 | 39% | 0.387 | S | S | * | . | trans | -92.5 | 92.9 | -178.2 | -66.9 | -174.9 | -179.8 | -179.6 | 1.2 | 109.7 | S1439 Q1593 | S1439-R1441 PolarHBondContact O-N 3.21Å; R1441-Q1593 PolarHBondContact O-OE1 3.09Å | ||
| 1442 | T | 70.6 | Confident | 69.1 | Low | 24.8 Ų | 24.8 | 69.5 Ų | 69.5 | 15% | 0.152 | 37% | 0.367 | C | S | . | . | trans | -131.7 | 146.2 | -172.6 | 49.8 | 0 | 0 | 0 | 0 | 110.3 | C1440 K1444 H1446 Y1520 | C1440-T1442 HydrophobicContact CB-CG2 4.19Å; C1440-T1442 PolarHBondContact O-N 3.15Å; C1440-T1442 PolarHBondContact O-OG1 3Å; C1440-T1442 VanDerWaalsContact SG-CG2 3.52Å; C1440-T1442 WeakPolarHBondContact SG-CG2 3.23Å; T1442-K1444 CarbonylContact C-O 3.53Å; T1442-K1444 VanDerWaalsContact CB-O 3.29Å; T1442-K1444 WeakPolarHBondContact CB-O 3.42Å; T1442-K1444 CarbonylContact O-C 3.46Å; T1442-K1444 PolarHBondContact O-N 3.08Å; T1442-K1444 VanDerWaalsContact O-N 3.1Å; T1442-K1444 VanDerWaalsContact O-O 3.09Å; T1442-K1444 PolarHBondContact OG1-O 2.96Å; T1442-H1446 PolarHBondContact OG1-CD2 2.91Å; T1442-H1446 VanDerWaalsContact OG1-CD2 3.23Å; T1442-Y1520 HydrophobicContact CG2-CD1 4.39Å; T1442-Y1520 HydrophobicContact CG2-CD2 4.03Å; T1442-Y1520 HydrophobicContact CG2-CG 3.73Å | ||
| 1443 | Y | 70.5 | Confident | 68.6 | Low | 79.8 Ų | 79.8 | 71.1 Ų | 71.1 | 31% | 0.313 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -63 | -17.4 | -177.7 | 74.4 | -85.5 | 0 | 0 | 0 | 114 | E1521 E1522 Q1524 | Y1443-E1521 HydrophobicContact CD1-CB 4.43Å; Y1443-E1521 VanDerWaalsContact CD1-O 3.31Å; Y1443-E1521 WeakPolarHBondContact CD1-O 3.33Å; Y1443-E1521 HydrophobicContact CE1-CB 4.27Å; Y1443-E1522 PolarHBondContact N-O 3.18Å; Y1443-Q1524 VanDerWaalsContact CB-N 3.34Å; Y1443-Q1524 HydrophobicContact CD2-CB 3.75Å; Y1443-Q1524 HydrophobicContact CD2-CG 3.95Å; Y1443-Q1524 HydrophobicContact CE2-CB 4.44Å; Y1443-Q1524 HydrophobicContact CE2-CG 4.32Å; Y1443-Q1524 VanDerWaalsContact CG-CA 3.47Å; Y1443-Q1524 HydrophobicContact CG-CB 3.97Å |
| 1444 | K | 69.4 | Low | 67.6 | Low | 114.4 Ų | 114.4 | 68.8 Ų | 68.8 | 50% | 0.497 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -115.7 | 142.2 | 166.4 | -78.5 | 165.3 | 178.8 | 157.4 | 0 | 108.3 | T1442 H1446 | T1442-K1444 CarbonylContact C-O 3.53Å; T1442-K1444 VanDerWaalsContact CB-O 3.29Å; T1442-K1444 WeakPolarHBondContact CB-O 3.42Å; T1442-K1444 CarbonylContact O-C 3.46Å; T1442-K1444 PolarHBondContact O-N 3.08Å; T1442-K1444 VanDerWaalsContact O-N 3.1Å; T1442-K1444 VanDerWaalsContact O-O 3.09Å; T1442-K1444 PolarHBondContact OG1-O 2.96Å; K1444-H1446 WeakPolarHBondContact CB-NE2 3.28Å; K1444-H1446 PolarHBondContact O-CD2 2.99Å; K1444-H1446 VanDerWaalsContact O-CD2 3.27Å; K1444-H1446 PolarHBondContact O-N 3Å; K1444-H1446 VanDerWaalsContact O-N 3.1Å |
| 1445 | Q | 65.9 | Low | 66.2 | Low | 181 Ų | 181 | 71.1 Ų | 71.1 | 85% | 0.846 | 36% | 0.363 | S | S | * | . | trans | -68 | 108 | 171.1 | -160.3 | 176.7 | -1.9 | 0 | 0 | 109.8 | G1447 | Q1445-G1447 PolarHBondContact O-N 2.81Š| ||
| 1446 | H | 62.3 | Low | 64.4 | Low | 58.8 Ų | 58.8 | 71 Ų | 71 | 27% | 0.272 | 37% | 0.372 | S | S | . | . | trans | -102.9 | 108.2 | 176.1 | -73.8 | -67.6 | 0 | 0 | 0 | 109.9 | T1421 T1442 K1444 Y1520 | T1421-H1446 VanDerWaalsContact CB-O 3.29Å; T1421-H1446 WeakPolarHBondContact CB-O 3.31Å; T1421-H1446 HydrophobicContact CG2-CB 4.47Å; T1421-H1446 WeakPolarHBondContact CG2-O 3.47Å; T1421-H1446 PolarHBondContact OG1-O 2.93Å; T1442-H1446 PolarHBondContact OG1-CD2 2.91Å; T1442-H1446 VanDerWaalsContact OG1-CD2 3.23Å; K1444-H1446 WeakPolarHBondContact CB-NE2 3.28Å; K1444-H1446 PolarHBondContact O-CD2 2.99Å; K1444-H1446 VanDerWaalsContact O-CD2 3.27Å; K1444-H1446 PolarHBondContact O-N 3Å; K1444-H1446 VanDerWaalsContact O-N 3.1Å; H1446-Y1520 HydrophobicContact CB-CD1 4.35Å; H1446-Y1520 HydrophobicContact CB-CE1 3.88Å; H1446-Y1520 HydrophobicContact CB-CE2 4.13Å; H1446-Y1520 AromaticContact CD2-CD1 3.5Å; H1446-Y1520 VanDerWaalsContact CD2-CD1 3.45Å; H1446-Y1520 WeakPolarHBondContact CD2-CD1 3.42Å; H1446-Y1520 AromaticContact CD2-CD2 3.85Å; H1446-Y1520 AromaticContact CD2-CE1 3.44Å; H1446-Y1520 VanDerWaalsContact CD2-CE1 3.46Å; H1446-Y1520 WeakPolarHBondContact CD2-CE1 3.35Å; H1446-Y1520 AromaticContact CD2-CE2 3.83Å; H1446-Y1520 AromaticContact CD2-CG 3.61Å; H1446-Y1520 AromaticContact CD2-CZ 3.76Å; H1446-Y1520 AromaticContact CE1-CD1 3.8Å; H1446-Y1520 AromaticContact CE1-CE1 3.72Å; H1446-Y1520 VanDerWaalsContact CE1-CE1 3.44Å; H1446-Y1520 WeakPolarHBondContact CE1-CE1 3.46Å; H1446-Y1520 AromaticContact CG-CD1 3.92Å; H1446-Y1520 AromaticContact CG-CE1 3.39Å; H1446-Y1520 VanDerWaalsContact CG-CE1 3.46Å; H1446-Y1520 AromaticContact CG-CE2 3.84Å; H1446-Y1520 AromaticContact CG-CZ 3.69Å; H1446-Y1520 AromaticContact ND1-CE1 3.66Å; H1446-Y1520 WeakPolarHBondContact ND1-CE1 3.25Å; H1446-Y1520 AromaticContact ND1-CZ 3.73Å; H1446-Y1520 AromaticContact NE2-CD1 3.73Å; H1446-Y1520 VanDerWaalsContact NE2-CD1 3.26Å; H1446-Y1520 WeakPolarHBondContact NE2-CD1 3.29Å; H1446-Y1520 AromaticContact NE2-CE1 3.68Å; H1446-Y1520 WeakPolarHBondContact NE2-CE1 3.5Å; H1446-Y1520 AromaticContact NE2-CG 3.91Å | ||
| 1447 | G | 64.7 | Low | 62.4 | Low | 45.6 Ų | 45.6 | 79.6 Ų | 79.6 | 47% | 0.47 | 41% | 0.408 | S | S | . | . | S | Bend | trans | 78.8 | -173.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | T1421 Q1445 | T1421-G1447 VanDerWaalsContact OG1-CA 3.31Å; T1421-G1447 WeakPolarHBondContact OG1-CA 3.19Å; Q1445-G1447 PolarHBondContact O-N 2.81Å |
| 1448 | Y | 74.4 | Confident | 60.2 | Low | 130.8 Ų | 130.8 | 87.3 Ų | 87.3 | 51% | 0.513 | 44% | 0.444 | S | S | . | . | B | Isolated β-bridge | trans | -108.7 | 136.9 | 179 | 174.8 | -112.3 | 0 | 0 | 0 | 110 | V1420 T1421 P1450 | V1420-Y1448 WeakPolarHBondContact CA-O 3.39Å; V1420-Y1448 WeakPolarHBondContact CG1-O 3.22Å; T1421-Y1448 PolarHBondContact N-O 3.04Å; T1421-Y1448 VanDerWaalsContact N-O 3.11Å; T1421-Y1448 PolarHBondContact OG1-N 3.3Å; Y1448-P1450 HydrophobicContact CD1-CB 4.48Å; Y1448-P1450 HydrophobicContact CD1-CG 4.48Å; Y1448-P1450 HydrophobicContact CE1-CB 3.72Å; Y1448-P1450 HydrophobicContact CE1-CG 4.22Å |
| 1449 | F | 73.2 | Confident | 58 | Low | 46 Ų | 46 | 91 Ų | 91 | 20% | 0.202 | 47% | 0.468 | C | S | . | . | trans | -118.6 | 110.4 | 168.8 | -175.9 | -92.5 | 0 | 0 | 0 | 107.6 | V1420 T1422 A1438 L1452 R1600 | V1420-F1449 HydrophobicContact CG1-CD2 4.3Å; T1422-F1449 HydrophobicContact CG2-CD2 3.99Å; T1422-F1449 HydrophobicContact CG2-CE2 3.9Å; A1438-F1449 VanDerWaalsContact O-CE2 3.26Å; A1438-F1449 WeakPolarHBondContact O-CE2 3.39Å; F1449-L1452 HydrophobicContact CE1-CD1 4.24Å; F1449-L1452 HydrophobicContact CE1-CG 4.33Å; F1449-L1452 HydrophobicContact CZ-CD1 4.35Å; F1449-L1452 HydrophobicContact CZ-CG 4.29Å; F1449-R1600 VanDerWaalsContact CE2-NH1 3.29Å | ||
| 1450 | P | 70.5 | Confident | 55.5 | Low | 1.6 Ų | 1.6 | 97.7 Ų | 97.7 | 1% | 0.01 | 49% | 0.494 | C | S | . | . | trans | -65.1 | 139 | 176.4 | 23 | -27 | 0 | 0 | 0 | 109.5 | Y1417 V1420 Y1448 L1452 R1600 | Y1417-P1450 HydrophobicContact CD1-CB 3.86Å; Y1417-P1450 HydrophobicContact CD1-CG 3.82Å; Y1417-P1450 HydrophobicContact CD2-CG 4.12Å; Y1417-P1450 HydrophobicContact CE1-CB 3.79Å; Y1417-P1450 HydrophobicContact CE1-CG 4.19Å; Y1417-P1450 HydrophobicContact CE2-CG 4.42Å; Y1417-P1450 HydrophobicContact CG-CB 4.3Å; Y1417-P1450 HydrophobicContact CG-CG 3.78Å; V1420-P1450 HydrophobicContact CG1-CG 4.41Å; V1420-P1450 HydrophobicContact CG2-CG 4.05Å; Y1448-P1450 HydrophobicContact CD1-CB 4.48Å; Y1448-P1450 HydrophobicContact CD1-CG 4.48Å; Y1448-P1450 HydrophobicContact CE1-CB 3.72Å; Y1448-P1450 HydrophobicContact CE1-CG 4.22Å; P1450-L1452 PolarHBondContact O-N 2.89Å; P1450-R1600 PolarHBondContact O-NH1 2.87Å | ||
| 1451 | P | 63.7 | Low | 53.3 | Low | 78.8 Ų | 78.8 | 101.7 Ų | 101.7 | 51% | 0.512 | 52% | 0.522 | S | S | . | . | trans | -51.7 | 144.9 | 173.2 | -9.2 | 10.8 | 0 | 0 | 0 | 111.5 | E1453 R1600 | P1451-E1453 VanDerWaalsContact C-N 3.29Å; P1451-E1453 WeakPolarHBondContact CB-O 3.45Å; P1451-E1453 PolarHBondContact O-N 3.01Å; P1451-R1600 PolarHBondContact O-NH2 3.1Å | ||
| 1452 | L | 57.5 | Low | 51.2 | Low | 70.2 Ų | 70.2 | 102.6 Ų | 102.6 | 37% | 0.368 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -76.8 | 2.9 | 169.2 | -69.9 | 162.8 | 0 | 0 | 0 | 110.3 | F1449 P1450 L1454 | F1449-L1452 HydrophobicContact CE1-CD1 4.24Å; F1449-L1452 HydrophobicContact CE1-CG 4.33Å; F1449-L1452 HydrophobicContact CZ-CD1 4.35Å; F1449-L1452 HydrophobicContact CZ-CG 4.29Å; P1450-L1452 PolarHBondContact O-N 2.89Å; L1452-L1454 PolarHBondContact O-N 3.47Å |
| 1453 | E | 50.9 | Low | 49.2 | Very low | 110.2 Ų | 110.2 | 109.7 Ų | 109.7 | 52% | 0.515 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -91.8 | 134.2 | -175.3 | -68.8 | 178.3 | 145.9 | 0 | 0 | 110.9 | R1415 P1451 D1455 T1488 | R1415-E1453 IonicContact CZ-OE2 2.84Å; R1415-E1453 IonicContact NH1-OE1 3.53Å; R1415-E1453 IonicContact NH1-OE2 3.66Å; R1415-E1453 PolarHBondContact NH1-OE2 3.44Å; R1415-E1453 IonicContact NH2-OE2 3.43Å; P1451-E1453 VanDerWaalsContact C-N 3.29Å; P1451-E1453 WeakPolarHBondContact CB-O 3.45Å; P1451-E1453 PolarHBondContact O-N 3.01Å; E1453-D1455 PolarHBondContact O-N 3.15Å; E1453-T1488 HydrophobicContact CB-CG2 4.18Å; E1453-T1488 HydrophobicContact CG-CG2 3.89Å; E1453-T1488 WeakPolarHBondContact O-CG2 3.49Å |
| 1454 | L | 43 | Very low | 47.2 | Very low | 71.2 Ų | 71.2 | 115.2 Ų | 115.2 | 37% | 0.373 | 59% | 0.585 | S | S | . | * | trans | -103.2 | 85.5 | 171.5 | -156.2 | 74.2 | 0 | 0 | 0 | 109 | L1452 G1456 T1488 P1489 | L1452-L1454 PolarHBondContact O-N 3.47Å; L1454-G1456 PolarHBondContact O-N 3.15Å; L1454-G1456 VanDerWaalsContact O-N 3.13Å; L1454-T1488 HydrophobicContact CB-CG2 4.25Å; L1454-T1488 HydrophobicContact CD1-CG2 3.57Å; L1454-T1488 HydrophobicContact CG-CG2 4.47Å; L1454-T1488 WeakPolarHBondContact O-CG2 3.13Å; L1454-P1489 HydrophobicContact CB-CG 4.21Å; L1454-P1489 HydrophobicContact CD1-CG 3.93Å; L1454-P1489 HydrophobicContact CD2-CG 3.87Å; L1454-P1489 HydrophobicContact CG-CG 4.02Å | ||
| 1455 | D | 33.2 | Very low | 45.2 | Very low | 131.4 Ų | 131.4 | 115 Ų | 115 | 70% | 0.703 | 59% | 0.594 | S | S | * | * | trans | -78.7 | 114.1 | 166.8 | -86.2 | -35 | 0 | 0 | 0 | 110.2 | E1453 F1457 Q1458 | E1453-D1455 PolarHBondContact O-N 3.15Å; D1455-F1457 PolarHBondContact O-N 3.01Å; D1455-Q1458 PolarHBondContact OD1-NE2 3.33Å | ||
| 1456 | G | 30.3 | Very low | 43.4 | Very low | 56.2 Ų | 56.2 | 115.1 Ų | 115.1 | 58% | 0.579 | 59% | 0.594 | S | S | * | * | trans | -81 | 130.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | L1454 Q1458 | L1454-G1456 PolarHBondContact O-N 3.15Å; L1454-G1456 VanDerWaalsContact O-N 3.13Å; G1456-Q1458 PolarHBondContact O-N 3.18Å; G1456-Q1458 VanDerWaalsContact O-N 3.16Å | ||
| 1457 | F | 27.9 | Very low | 42 | Very low | 201.4 Ų | 201.4 | 117.5 Ų | 117.5 | 88% | 0.883 | 62% | 0.618 | S | S | * | * | trans | 35.7 | 95.8 | 172.4 | -79.9 | -92.9 | 0 | 0 | 0 | 115.9 | D1455 S1459 | D1455-F1457 PolarHBondContact O-N 3.01Å; F1457-S1459 VanDerWaalsContact C-N 3.28Å; F1457-S1459 PolarHBondContact O-N 2.96Å; F1457-S1459 VanDerWaalsContact O-N 3.13Å | ||
| 1458 | Q | 28.8 | Very low | 40.1 | Very low | 174.4 Ų | 174.4 | 125.4 Ų | 125.4 | 82% | 0.815 | 64% | 0.64 | S | S | * | * | trans | -92.2 | 114.4 | 150.7 | -69.2 | -175 | -3.1 | 0 | 0 | 108.6 | D1455 G1456 E1460 | D1455-Q1458 PolarHBondContact OD1-NE2 3.33Å; G1456-Q1458 PolarHBondContact O-N 3.18Å; G1456-Q1458 VanDerWaalsContact O-N 3.16Å; Q1458-E1460 PolarHBondContact O-N 3.09Å | ||
| 1459 | S | 29.4 | Very low | 38 | Very low | 100 Ų | 100 | 124.1 Ų | 124.1 | 70% | 0.699 | 65% | 0.65 | S | S | * | * | trans | -61.6 | 120.6 | 159.2 | 97 | 0 | 0 | 0 | 0 | 110.9 | F1457 S1461 | F1457-S1459 VanDerWaalsContact C-N 3.28Å; F1457-S1459 PolarHBondContact O-N 2.96Å; F1457-S1459 VanDerWaalsContact O-N 3.13Å; S1459-S1461 VanDerWaalsContact C-N 3.35Å; S1459-S1461 PolarHBondContact O-N 2.9Å; S1459-S1461 VanDerWaalsContact O-N 3.12Å; S1459-S1461 PolarHBondContact OG-OG 2.87Å | ||
| 1460 | E | 27.1 | Very low | 35.9 | Very low | 198.2 Ų | 198.2 | 127.1 Ų | 127.1 | 93% | 0.926 | 68% | 0.677 | S | S | * | * | trans | -62.4 | 106.1 | 171.8 | -63.6 | 178.1 | 135.1 | 0 | 0 | 110.2 | Q1458 | Q1458-E1460 PolarHBondContact O-N 3.09Š| ||
| 1461 | S | 31.7 | Very low | 34 | Very low | 99.6 Ų | 99.6 | 135.3 Ų | 135.3 | 70% | 0.697 | 72% | 0.715 | S | S | * | * | trans | -153.5 | 118.9 | 164.2 | 30.1 | 0 | 0 | 0 | 0 | 111.9 | S1459 | S1459-S1461 VanDerWaalsContact C-N 3.35Å; S1459-S1461 PolarHBondContact O-N 2.9Å; S1459-S1461 VanDerWaalsContact O-N 3.12Å; S1459-S1461 PolarHBondContact OG-OG 2.87Å | ||
| 1462 | E | 30.1 | Very low | 32.3 | Very low | 181.2 Ų | 181.2 | 137.4 Ų | 137.4 | 85% | 0.847 | 73% | 0.732 | S | S | * | * | trans | 45.2 | 115.4 | 153.5 | -53.2 | -162.6 | 139.7 | 0 | 0 | 119.6 | Y1464 | E1462-Y1464 PolarHBondContact O-N 2.88Å; E1462-Y1464 VanDerWaalsContact O-N 3.13Å | ||
| 1463 | H | 28.5 | Very low | 30.8 | Very low | 173.6 Ų | 173.6 | 142.7 Ų | 142.7 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | 57.5 | 114.9 | 130 | -96.3 | 6.3 | 0 | 0 | 0 | 121.9 | ||||
| 1464 | Y | 28 | Very low | 29.8 | Very low | 194 Ų | 194 | 140.8 Ų | 140.8 | 76% | 0.761 | 75% | 0.75 | S | S | * | * | trans | 98.8 | 103.6 | 135.6 | -118 | -96.7 | 0 | 0 | 0 | 119.3 | E1462 Q1466 | E1462-Y1464 PolarHBondContact O-N 2.88Å; E1462-Y1464 VanDerWaalsContact O-N 3.13Å; Y1464-Q1466 PolarHBondContact O-N 2.67Å; Y1464-Q1466 VanDerWaalsContact O-N 3.08Å | ||
| 1465 | T | 28.1 | Very low | 29.3 | Very low | 110.4 Ų | 110.4 | 144.9 Ų | 144.9 | 68% | 0.677 | 77% | 0.771 | S | S | * | * | trans | 27.7 | 136.1 | 151.7 | 56.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 1466 | Q | 29 | Very low | 29.3 | Very low | 183.2 Ų | 183.2 | 146.1 Ų | 146.1 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | trans | 104.2 | 134.1 | 161.7 | -76.4 | 172.8 | 7.3 | 0 | 0 | 114.5 | Y1464 | Y1464-Q1466 PolarHBondContact O-N 2.67Å; Y1464-Q1466 VanDerWaalsContact O-N 3.08Å | ||
| 1467 | S | 31.6 | Very low | 29.2 | Very low | 110.2 Ų | 110.2 | 149.4 Ų | 149.4 | 77% | 0.771 | 77% | 0.771 | S | S | * | * | -113.7 | 141.1 | 127.1 | 56.2 | 0 | 0 | 0 | 0 | 113.7 | S1469 | S1467-S1469 PolarHBondContact O-N 2.86Š| |||
| 1468 | F | 25.8 | Very low | 29.2 | Very low | 209.8 Ų | 209.8 | 146.9 Ų | 146.9 | 92% | 0.92 | 76% | 0.762 | S | S | * | * | trans | -69.4 | 110.4 | 169.8 | -154.6 | -93.2 | 0 | 0 | 0 | 112 | ||||
| 1469 | S | 29.4 | Very low | 29.1 | Very low | 105 Ų | 105 | 144.2 Ų | 144.2 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | -161.6 | 140.3 | 154.3 | 57.5 | 0 | 0 | 0 | 0 | 112.4 | S1467 E1471 | S1467-S1469 PolarHBondContact O-N 2.86Å; S1469-E1471 PolarHBondContact O-N 3.15Å | ||
| 1470 | S | 29.2 | Very low | 29.1 | Very low | 109 Ų | 109 | 148 Ų | 148 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | 29.9 | 120.4 | 167.9 | 77.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1471 | E | 30.1 | Very low | 29.1 | Very low | 172.8 Ų | 172.8 | 145.1 Ų | 145.1 | 81% | 0.807 | 76% | 0.76 | S | S | * | * | trans | 92.1 | 101.2 | 149 | -82.7 | -175.7 | -174.8 | 0 | 0 | 116.4 | S1469 K1473 | S1469-E1471 PolarHBondContact O-N 3.15Å; E1471-K1473 PolarHBondContact O-N 2.81Å; E1471-K1473 VanDerWaalsContact O-N 3.1Å; E1471-K1473 IonicContact OE2-NZ 2.68Å; E1471-K1473 PolarHBondContact OE2-NZ 3.02Å | ||
| 1472 | S | 28.5 | Very low | 28.9 | Very low | 124.4 Ų | 124.4 | 143.2 Ų | 143.2 | 87% | 0.87 | 76% | 0.756 | S | S | * | * | trans | -56.3 | 104.6 | 165.7 | 53.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1473 | K | 26.8 | Very low | 28.8 | Very low | 181.4 Ų | 181.4 | 140.8 Ų | 140.8 | 79% | 0.789 | 75% | 0.754 | S | S | * | * | trans | -118.6 | 143.2 | 159.5 | -88.8 | 177.3 | 176.8 | 158.2 | 0 | 110.2 | E1471 I1475 | E1471-K1473 PolarHBondContact O-N 2.81Å; E1471-K1473 VanDerWaalsContact O-N 3.1Å; E1471-K1473 IonicContact OE2-NZ 2.68Å; E1471-K1473 PolarHBondContact OE2-NZ 3.02Å; K1473-I1475 PolarHBondContact O-N 3.06Å | ||
| 1474 | S | 29.7 | Very low | 29 | Very low | 69.4 Ų | 69.4 | 140.4 Ų | 140.4 | 49% | 0.485 | 76% | 0.758 | S | S | . | * | trans | -55 | 129.8 | 178.4 | 179.1 | 0 | 0 | 0 | 0 | 111.4 | D1427 Y1476 D1477 | D1427-S1474 PolarHBondContact OD2-OG 3.17Å; S1474-Y1476 VanDerWaalsContact C-N 3.29Å; S1474-Y1476 PolarHBondContact O-N 3.04Å; S1474-Y1476 VanDerWaalsContact O-N 3.14Å; S1474-Y1476 PolarHBondContact OG-N 3.41Å; S1474-D1477 WeakPolarHBondContact CB-OD2 3.48Å; S1474-D1477 PolarHBondContact OG-OD2 3.2Å | ||
| 1475 | I | 32.9 | Very low | 29.1 | Very low | 157 Ų | 157 | 134.1 Ų | 134.1 | 81% | 0.805 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -10.3 | 180 | -87.7 | 172.6 | 0 | 0 | 0 | 112.8 | K1473 | K1473-I1475 PolarHBondContact O-N 3.06Š|
| 1476 | Y | 32.4 | Very low | 29.4 | Very low | 156.4 Ų | 156.4 | 135 Ų | 135 | 61% | 0.613 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -5.5 | -178.4 | -71.8 | -77.3 | 0 | 0 | 0 | 115 | D1427 V1436 S1474 Q1478 | D1427-Y1476 WeakPolarHBondContact OD2-CD2 3.42Å; V1436-Y1476 HydrophobicContact CG1-CE2 3.73Å; V1436-Y1476 WeakPolarHBondContact CG1-OH 3.37Å; S1474-Y1476 VanDerWaalsContact C-N 3.29Å; S1474-Y1476 PolarHBondContact O-N 3.04Å; S1474-Y1476 VanDerWaalsContact O-N 3.14Å; S1474-Y1476 PolarHBondContact OG-N 3.41Å; Y1476-Q1478 PolarHBondContact O-N 2.82Å; Y1476-Q1478 VanDerWaalsContact O-N 3.15Å |
| 1477 | D | 29 | Very low | 30.1 | Very low | 125.4 Ų | 125.4 | 129.2 Ų | 129.2 | 67% | 0.671 | 73% | 0.731 | S | S | * | * | trans | -103.3 | 34.3 | -175.8 | -81.6 | -48.6 | 0 | 0 | 0 | 114.5 | S1474 P1479 | S1474-D1477 WeakPolarHBondContact CB-OD2 3.48Å; S1474-D1477 PolarHBondContact OG-OD2 3.2Å; D1477-P1479 WeakPolarHBondContact O-CD 3.47Å | ||
| 1478 | Q | 27.3 | Very low | 31 | Very low | 150.4 Ų | 150.4 | 127.1 Ų | 127.1 | 70% | 0.703 | 71% | 0.713 | S | S | * | * | trans | -124.9 | 114.8 | 163.7 | -79.9 | -159.5 | 0.3 | 0 | 0 | 111.7 | Y1476 K1480 | Y1476-Q1478 PolarHBondContact O-N 2.82Å; Y1476-Q1478 VanDerWaalsContact O-N 3.15Å; Q1478-K1480 VanDerWaalsContact C-N 3.28Å; Q1478-K1480 HydrophobicContact CB-CG 3.95Å; Q1478-K1480 PolarHBondContact O-N 3.18Å | ||
| 1479 | P | 27 | Very low | 32.4 | Very low | 116.4 Ų | 116.4 | 118.8 Ų | 118.8 | 76% | 0.756 | 68% | 0.68 | S | S | * | * | trans | -68.5 | 97.5 | 162.6 | 29.7 | -30.7 | 0 | 0 | 0 | 107.3 | D1477 T1481 | D1477-P1479 WeakPolarHBondContact O-CD 3.47Å; P1479-T1481 VanDerWaalsContact C-N 3.29Å; P1479-T1481 PolarHBondContact O-N 3.15Å | ||
| 1480 | K | 29.1 | Very low | 34.1 | Very low | 180.4 Ų | 180.4 | 114.4 Ų | 114.4 | 78% | 0.784 | 65% | 0.65 | S | S | * | * | trans | -61.6 | 94.9 | 175.9 | -77 | -176.2 | 178.6 | 173.7 | 0 | 109.4 | Q1478 G1482 | Q1478-K1480 VanDerWaalsContact C-N 3.28Å; Q1478-K1480 HydrophobicContact CB-CG 3.95Å; Q1478-K1480 PolarHBondContact O-N 3.18Å; K1480-G1482 PolarHBondContact O-N 3.16Å | ||
| 1481 | T | 26.5 | Very low | 36.4 | Very low | 137.4 Ų | 137.4 | 110 Ų | 110 | 84% | 0.843 | 62% | 0.619 | S | S | * | * | trans | -70.7 | 74.4 | 163.5 | 47.3 | 0 | 0 | 0 | 0 | 108.9 | P1479 T1483 | P1479-T1481 VanDerWaalsContact C-N 3.29Å; P1479-T1481 PolarHBondContact O-N 3.15Å; T1481-T1483 VanDerWaalsContact C-N 3.33Å; T1481-T1483 PolarHBondContact O-N 3.11Å | ||
| 1482 | G | 28.2 | Very low | 38.9 | Very low | 60.2 Ų | 60.2 | 101.9 Ų | 101.9 | 62% | 0.621 | 58% | 0.581 | S | S | * | * | trans | -89.9 | 105 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | K1480 N1484 | K1480-G1482 PolarHBondContact O-N 3.16Å; G1482-N1484 PolarHBondContact O-N 3.07Å; G1482-N1484 VanDerWaalsContact O-N 3.16Å | ||
| 1483 | T | 28.7 | Very low | 41.4 | Very low | 129.2 Ų | 129.2 | 96.2 Ų | 96.2 | 79% | 0.793 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 133.2 | 167.3 | 40.1 | 0 | 0 | 0 | 0 | 109.7 | T1481 G1485 | T1481-T1483 VanDerWaalsContact C-N 3.33Å; T1481-T1483 PolarHBondContact O-N 3.11Å; T1483-G1485 PolarHBondContact O-N 3.19Å |
| 1484 | N | 31.1 | Very low | 44.2 | Very low | 166.6 Ų | 166.6 | 87.6 Ų | 87.6 | 89% | 0.891 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | 25.8 | 169.4 | -53.7 | -16.1 | 0 | 0 | 0 | 116.4 | G1482 N1486 | G1482-N1484 PolarHBondContact O-N 3.07Å; G1482-N1484 VanDerWaalsContact O-N 3.16Å; N1484-N1486 PolarHBondContact O-N 3.27Å |
| 1485 | G | 30.4 | Very low | 46.7 | Very low | 61.6 Ų | 61.6 | 85.6 Ų | 85.6 | 64% | 0.635 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -80.2 | 125.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111 | T1483 P1487 | T1483-G1485 PolarHBondContact O-N 3.19Å; G1485-P1487 VanDerWaalsContact O-N 3.13Å |
| 1486 | N | 35.7 | Very low | 49 | Very low | 129.4 Ų | 129.4 | 84.3 Ų | 84.3 | 69% | 0.692 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 134.2 | 169.6 | -92.1 | -24.4 | 0 | 0 | 0 | 109.6 | N1484 T1488 | N1484-N1486 PolarHBondContact O-N 3.27Å; N1486-T1488 PolarHBondContact O-N 3.16Å; N1486-T1488 VanDerWaalsContact O-N 3.09Å |
| 1487 | P | 43.3 | Very low | 51.4 | Low | 61.8 Ų | 61.8 | 79.3 Ų | 79.3 | 40% | 0.401 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 122.8 | 179.7 | 26.2 | -33.3 | 0 | 0 | 0 | 109.8 | L1357 G1485 Y1764 | L1357-P1487 HydrophobicContact CD2-CG 4.36Å; G1485-P1487 VanDerWaalsContact O-N 3.13Å; P1487-Y1764 WeakPolarHBondContact CG-OH 3.5Å |
| 1488 | T | 49.8 | Very low | 53.9 | Low | 64.6 Ų | 64.6 | 74.2 Ų | 74.2 | 40% | 0.396 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 132.5 | 176.7 | 50.9 | 0 | 0 | 0 | 0 | 109.7 | E1453 L1454 N1486 A1490 | E1453-T1488 HydrophobicContact CB-CG2 4.18Å; E1453-T1488 HydrophobicContact CG-CG2 3.89Å; E1453-T1488 WeakPolarHBondContact O-CG2 3.49Å; L1454-T1488 HydrophobicContact CB-CG2 4.25Å; L1454-T1488 HydrophobicContact CD1-CG2 3.57Å; L1454-T1488 HydrophobicContact CG-CG2 4.47Å; L1454-T1488 WeakPolarHBondContact O-CG2 3.13Å; N1486-T1488 PolarHBondContact O-N 3.16Å; N1486-T1488 VanDerWaalsContact O-N 3.09Å; T1488-A1490 PolarHBondContact O-N 2.95Å |
| 1489 | P | 55.3 | Low | 56.6 | Low | 35.4 Ų | 35.4 | 72.1 Ų | 72.1 | 23% | 0.23 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 133 | -179.9 | 26 | -33.4 | 0 | 0 | 0 | 110.2 | L1454 V1491 P1766 | L1454-P1489 HydrophobicContact CB-CG 4.21Å; L1454-P1489 HydrophobicContact CD1-CG 3.93Å; L1454-P1489 HydrophobicContact CD2-CG 3.87Å; L1454-P1489 HydrophobicContact CG-CG 4.02Å; P1489-V1491 HydrophobicContact CB-CG2 4.01Å; P1489-V1491 HydrophobicContact CG-CG2 4.15Å; P1489-V1491 WeakPolarHBondContact O-CG2 3.4Å; P1489-V1491 PolarHBondContact O-N 2.95Å; P1489-P1766 HydrophobicContact CB-CG 4Å |
| 1490 | A | 65.8 | Low | 59.4 | Low | 13.6 Ų | 13.6 | 67 Ų | 67 | 11% | 0.112 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 127.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | T1488 S1604 W1791 T1792 | T1488-A1490 PolarHBondContact O-N 2.95Å; A1490-S1604 WeakPolarHBondContact O-CA 3.35Å; A1490-W1791 HydrophobicContact CB-CB 4.26Å; A1490-W1791 VanDerWaalsContact O-CD1 3.27Å; A1490-T1792 VanDerWaalsContact CB-CB 3.5Å; A1490-T1792 HydrophobicContact CB-CG2 4.08Å; A1490-T1792 WeakPolarHBondContact CB-OG1 3.28Å |
| 1491 | V | 76.1 | Confident | 62.1 | Low | 16.8 Ų | 16.8 | 58.4 Ų | 58.4 | 10% | 0.102 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 128.4 | -176 | 179.2 | 0 | 0 | 0 | 0 | 110.6 | P1489 D1602 F1603 S1795 | P1489-V1491 HydrophobicContact CB-CG2 4.01Å; P1489-V1491 HydrophobicContact CG-CG2 4.15Å; P1489-V1491 WeakPolarHBondContact O-CG2 3.4Å; P1489-V1491 PolarHBondContact O-N 2.95Å; V1491-D1602 HydrophobicContact CG1-CB 3.45Å; V1491-D1602 VanDerWaalsContact CG1-CB 3.46Å; V1491-D1602 VanDerWaalsContact CG1-CG 3.47Å; V1491-F1603 WeakPolarHBondContact CA-O 3.45Å; V1491-S1795 VanDerWaalsContact O-CA 3.26Å; V1491-S1795 WeakPolarHBondContact O-CA 3.4Å; V1491-S1795 WeakPolarHBondContact O-CB 3.37Å; V1491-S1795 PolarHBondContact O-OG 3.08Å |
| 1492 | V | 83.3 | Confident | 64.8 | Low | 2.8 Ų | 2.8 | 53.8 Ų | 53.8 | 2% | 0.017 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 124.8 | 165.3 | 171.7 | 0 | 0 | 0 | 0 | 107.8 | L1500 F1603 W1791 L1794 | V1492-L1500 HydrophobicContact CB-CD2 4.37Å; V1492-L1500 HydrophobicContact CG1-CD2 4.15Å; V1492-F1603 PolarHBondContact N-O 3.01Å; V1492-F1603 PolarHBondContact O-N 3.16Å; V1492-W1791 HydrophobicContact CB-CZ2 4.27Å; V1492-W1791 HydrophobicContact CG2-CD2 4.18Å; V1492-W1791 HydrophobicContact CG2-CG 4.39Å; V1492-W1791 HydrophobicContact CG2-CZ2 4.01Å; V1492-L1794 HydrophobicContact CG2-CB 3.75Å; V1492-L1794 HydrophobicContact CG2-CD1 4.32Å |
| 1493 | A | 81.7 | Confident | 67.5 | Low | 4.4 Ų | 4.4 | 52.6 Ų | 52.6 | 4% | 0.036 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 131.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1437 R1600 L1601 D1602 C1799 | L1437-A1493 HydrophobicContact CD1-CB 3.74Å; L1437-A1493 VanDerWaalsContact CD1-CB 3.4Å; L1437-A1493 HydrophobicContact CD2-CB 3.71Å; A1493-R1600 HydrophobicContact CB-CG 4.49Å; A1493-L1601 CarbonylContact C-O 3.57Å; A1493-L1601 WeakPolarHBondContact CA-O 3.42Å; A1493-D1602 VanDerWaalsContact CB-OD1 3.3Å; A1493-D1602 WeakPolarHBondContact CB-OD1 3.36Å; A1493-C1799 PolarHBondContact O-N 2.93Å |
| 1494 | C | 85.6 | Confident | 70.2 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 121.8 | -177.2 | -54.1 | 0 | 0 | 0 | 0 | 110.4 | P1501 R1600 L1601 F1603 C1799 | C1494-P1501 HydrophobicContact CB-CG 4.22Å; C1494-R1600 WeakPolarHBondContact O-CA 3.43Å; C1494-L1601 HydrophobicContact CB-CB 4.4Å; C1494-L1601 PolarHBondContact N-O 3Å; C1494-L1601 PolarHBondContact O-N 3.17Å; C1494-F1603 HydrophobicContact CB-CE2 4.07Å; C1494-F1603 VanDerWaalsContact SG-CE2 3.55Å; C1494-C1799 HydrophobicContact CB-CB 3.58Å; C1494-C1799 WeakPolarHBondContact CB-SG 3.43Å; C1494-C1799 WeakPolarHBondContact SG-CB 3.26Å; C1494-C1799 CovalentContact SG-SG 2.03Å; C1494-C1799 PolarHBondContact SG-SG 3.2Å |
| 1495 | L | 81 | Confident | 72.6 | Confident | 26.8 Ų | 26.8 | 40.2 Ų | 40.2 | 14% | 0.14 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -107.5 | -10.9 | 172.5 | -60.5 | 179.3 | 0 | 0 | 0 | 112.8 | T1422 L1437 R1600 | T1422-L1495 HydrophobicContact CG2-CD1 4.38Å; T1422-L1495 HydrophobicContact CG2-CD2 4.09Å; T1422-L1495 VanDerWaalsContact OG1-CD1 3.3Å; T1422-L1495 WeakPolarHBondContact OG1-CD1 3.41Å; L1437-L1495 HydrophobicContact CD1-CD1 3.78Å; L1437-L1495 HydrophobicContact CD1-CD2 4.47Å; L1437-L1495 HydrophobicContact CD1-CG 4.36Å; L1437-L1495 HydrophobicContact CD2-CD1 3.58Å; L1437-L1495 HydrophobicContact CD2-CD2 4.27Å; L1437-L1495 HydrophobicContact CD2-CG 3.94Å; L1437-L1495 HydrophobicContact CG-CD1 4.03Å; L1437-L1495 HydrophobicContact CG-CG 4.45Å; L1495-R1600 HydrophobicContact CD2-CB 3.81Å; L1495-R1600 HydrophobicContact CD2-CG 4.13Å |
| 1496 | E | 81.5 | Confident | 74.9 | Confident | 130 Ų | 130 | 41.2 Ų | 41.2 | 61% | 0.607 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -127.2 | 150.5 | -174.2 | -67.5 | 179.1 | 175.3 | 0 | 0 | 108.9 | ||
| 1497 | P | 82.8 | Confident | 77.1 | Confident | 52.8 Ų | 52.8 | 39.7 Ų | 39.7 | 34% | 0.343 | 23% | 0.226 | S | C | . | . | trans | -60.9 | 143.5 | 178.4 | 17.1 | -22.5 | 0 | 0 | 0 | 111.4 | N1509 L1512 A1513 W2377 | P1497-N1509 VanDerWaalsContact CA-OD1 3.28Å; P1497-N1509 WeakPolarHBondContact CA-OD1 3.33Å; P1497-N1509 HydrophobicContact CB-CB 3.77Å; P1497-N1509 VanDerWaalsContact CB-CG 3.5Å; P1497-N1509 WeakPolarHBondContact CB-OD1 3.25Å; P1497-N1509 WeakPolarHBondContact CG-O 3.46Å; P1497-L1512 HydrophobicContact CB-CB 4.36Å; P1497-L1512 HydrophobicContact CG-CB 4.03Å; P1497-A1513 HydrophobicContact CG-CB 4.2Å; P1497-W2377 HydrophobicContact CB-CB 4.16Å; P1497-W2377 HydrophobicContact CB-CD2 4.39Å; P1497-W2377 HydrophobicContact CB-CE3 4.38Å; P1497-W2377 HydrophobicContact CB-CG 4.3Å; P1497-W2377 HydrophobicContact CG-CB 4.08Å | ||
| 1498 | G | 81.8 | Confident | 79.1 | Confident | 17.4 Ų | 17.4 | 37.9 Ų | 37.9 | 18% | 0.179 | 21% | 0.211 | C | C | . | . | trans | -166.5 | -176 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1500 P1501 S1502 N1509 | G1498-L1500 VanDerWaalsContact C-N 3.33Å; G1498-L1500 PolarHBondContact O-N 3.48Å; G1498-P1501 WeakPolarHBondContact O-CD 3.34Å; G1498-S1502 PolarHBondContact O-N 3.25Å; G1498-S1502 PolarHBondContact O-OG 3.09Å; G1498-N1509 PolarHBondContact N-ND2 3.03Å; G1498-N1509 PolarHBondContact N-OD1 2.94Å; G1498-N1509 PolarHBondContact O-ND2 3.09Å; G1498-N1509 PolarHBondContact O-OD1 3.01Å | ||
| 1499 | R | 83.9 | Confident | 80.8 | Confident | 107 Ų | 107 | 36.2 Ų | 36.2 | 40% | 0.404 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -68.6 | -35.5 | 179.2 | -66.8 | -178.3 | 167.6 | -169.9 | 5.8 | 113.1 | S1502 I1503 E1803 E1807 | R1499-S1502 WeakPolarHBondContact CA-OG 3.4Å; R1499-S1502 WeakPolarHBondContact O-CB 3.26Å; R1499-S1502 PolarHBondContact O-N 3.02Å; R1499-S1502 VanDerWaalsContact O-N 3.14Å; R1499-S1502 PolarHBondContact O-OG 3.1Å; R1499-I1503 WeakPolarHBondContact O-CG1 3.45Å; R1499-I1503 PolarHBondContact O-N 3.33Å; R1499-E1803 HydrophobicContact CB-CG 4.49Å; R1499-E1803 WeakPolarHBondContact CB-OE1 3.48Å; R1499-E1803 VanDerWaalsContact CD-OE1 3.29Å; R1499-E1803 WeakPolarHBondContact CD-OE1 3.38Å; R1499-E1803 WeakPolarHBondContact CG-OE1 3.03Å; R1499-E1803 IonicContact NE-OE1 2.9Å; R1499-E1803 IonicContact NE-OE2 2.9Å; R1499-E1807 IonicContact CZ-OE1 3.16Å; R1499-E1807 IonicContact NH1-OE1 2.96Å; R1499-E1807 PolarHBondContact NH1-OE1 2.92Å; R1499-E1807 IonicContact NH2-OE1 3.99Å |
| 1500 | L | 85.6 | Confident | 82 | Confident | 8.2 Ų | 8.2 | 37.8 Ų | 37.8 | 4% | 0.043 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.3 | -48.9 | -177.2 | -177.1 | 58.1 | 0 | 0 | 0 | 112.9 | L1412 V1492 G1498 S1502 I1503 F1603 W1791 I1806 | L1412-L1500 HydrophobicContact CD2-CD1 4.05Å; V1492-L1500 HydrophobicContact CB-CD2 4.37Å; V1492-L1500 HydrophobicContact CG1-CD2 4.15Å; G1498-L1500 VanDerWaalsContact C-N 3.33Å; G1498-L1500 PolarHBondContact O-N 3.48Å; L1500-S1502 VanDerWaalsContact C-N 3.31Å; L1500-S1502 PolarHBondContact O-N 3.16Å; L1500-I1503 HydrophobicContact CD1-CD1 4.24Å; L1500-I1503 WeakPolarHBondContact O-CB 3.47Å; L1500-I1503 PolarHBondContact O-N 3.05Å; L1500-F1603 HydrophobicContact CD1-CD1 4.05Å; L1500-F1603 HydrophobicContact CD1-CE1 4.39Å; L1500-F1603 HydrophobicContact CD1-CG 4.25Å; L1500-F1603 HydrophobicContact CD2-CB 3.78Å; L1500-F1603 HydrophobicContact CD2-CD1 4.13Å; L1500-F1603 HydrophobicContact CD2-CD2 3.47Å; L1500-F1603 VanDerWaalsContact CD2-CD2 3.41Å; L1500-F1603 HydrophobicContact CD2-CE2 4.07Å; L1500-F1603 HydrophobicContact CD2-CG 3.51Å; L1500-F1603 VanDerWaalsContact CD2-CG 3.47Å; L1500-F1603 HydrophobicContact CG-CB 4.4Å; L1500-F1603 HydrophobicContact CG-CD1 3.83Å; L1500-F1603 HydrophobicContact CG-CD2 3.77Å; L1500-F1603 HydrophobicContact CG-CE1 3.99Å; L1500-F1603 HydrophobicContact CG-CE2 3.94Å; L1500-F1603 HydrophobicContact CG-CG 3.72Å; L1500-F1603 HydrophobicContact CG-CZ 4.06Å; L1500-W1791 HydrophobicContact CD1-CH2 4.47Å; L1500-W1791 HydrophobicContact CD2-CH2 4.4Å; L1500-W1791 HydrophobicContact CD2-CZ2 4.34Å; L1500-I1806 HydrophobicContact CB-CD1 3.64Å; L1500-I1806 HydrophobicContact CD1-CD1 3.75Å; L1500-I1806 HydrophobicContact CD1-CG1 4.27Å; L1500-I1806 HydrophobicContact CD2-CD1 4.2Å; L1500-I1806 HydrophobicContact CG-CD1 4.05Å |
| 1501 | P | 86.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.7 | -35 | 172 | -23.6 | 33.6 | 0 | 0 | 0 | 114.1 | C1494 G1498 I1503 F1504 G1505 W1508 N1509 L1512 L1601 F1603 | C1494-P1501 HydrophobicContact CB-CG 4.22Å; G1498-P1501 WeakPolarHBondContact O-CD 3.34Å; P1501-I1503 PolarHBondContact O-N 3.14Å; P1501-I1503 VanDerWaalsContact O-N 3.12Å; P1501-F1504 PolarHBondContact O-N 3.19Å; P1501-F1504 VanDerWaalsContact O-N 3.08Å; P1501-G1505 PolarHBondContact O-N 2.9Å; P1501-W1508 HydrophobicContact CB-CB 3.95Å; P1501-N1509 WeakPolarHBondContact CB-OD1 3.41Å; P1501-L1512 HydrophobicContact CB-CD1 4.06Å; P1501-L1512 HydrophobicContact CG-CD1 3.7Å; P1501-L1601 HydrophobicContact CB-CD1 3.83Å; P1501-L1601 HydrophobicContact CG-CD1 4.1Å; P1501-F1603 HydrophobicContact CB-CZ 4.25Å; P1501-F1603 HydrophobicContact CG-CE2 4.19Å; P1501-F1603 HydrophobicContact CG-CZ 4.08Å |
| 1502 | S | 83.3 | Confident | 83.1 | Confident | 42.2 Ų | 42.2 | 39.4 Ų | 39.4 | 30% | 0.295 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.2 | -29.1 | -178 | -17.4 | 0 | 0 | 0 | 0 | 113.4 | G1498 R1499 L1500 F1504 G1505 N1509 S1732 G1733 | G1498-S1502 PolarHBondContact O-N 3.25Å; G1498-S1502 PolarHBondContact O-OG 3.09Å; R1499-S1502 WeakPolarHBondContact CA-OG 3.4Å; R1499-S1502 WeakPolarHBondContact O-CB 3.26Å; R1499-S1502 PolarHBondContact O-N 3.02Å; R1499-S1502 VanDerWaalsContact O-N 3.14Å; R1499-S1502 PolarHBondContact O-OG 3.1Å; L1500-S1502 VanDerWaalsContact C-N 3.31Å; L1500-S1502 PolarHBondContact O-N 3.16Å; S1502-F1504 PolarHBondContact O-N 3.16Å; S1502-G1505 CarbonylContact O-C 3.59Å; S1502-G1505 WeakPolarHBondContact O-CA 3.3Å; S1502-G1505 PolarHBondContact O-N 3.17Å; S1502-G1505 VanDerWaalsContact O-N 3.11Å; S1502-N1509 PolarHBondContact OG-ND2 3.22Å; S1502-S1732 WeakPolarHBondContact CB-OG 3.06Å; S1502-S1732 WeakPolarHBondContact O-CA 3.38Å; S1502-S1732 PolarHBondContact O-OG 2.88Å; S1502-G1733 PolarHBondContact O-N 3.01Å |
| 1503 | I | 83.7 | Confident | 82.9 | Confident | 34.2 Ų | 34.2 | 41.4 Ų | 41.4 | 18% | 0.175 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58 | -34.7 | 175.3 | -65.1 | 164.5 | 0 | 0 | 0 | 111.2 | R1499 L1500 P1501 G1505 L1730 V1731 G1733 S1734 G1735 Y1758 I1776 I1806 | R1499-I1503 WeakPolarHBondContact O-CG1 3.45Å; R1499-I1503 PolarHBondContact O-N 3.33Å; L1500-I1503 HydrophobicContact CD1-CD1 4.24Å; L1500-I1503 WeakPolarHBondContact O-CB 3.47Å; L1500-I1503 PolarHBondContact O-N 3.05Å; P1501-I1503 PolarHBondContact O-N 3.14Å; P1501-I1503 VanDerWaalsContact O-N 3.12Å; I1503-G1505 VanDerWaalsContact C-N 3.34Å; I1503-L1730 HydrophobicContact CD1-CB 3.96Å; I1503-L1730 HydrophobicContact CD1-CD1 4.34Å; I1503-L1730 HydrophobicContact CD1-CD2 4.13Å; I1503-L1730 HydrophobicContact CD1-CG 3.84Å; I1503-L1730 HydrophobicContact CG1-CB 4.34Å; I1503-L1730 HydrophobicContact CG2-CD1 3.98Å; I1503-L1730 HydrophobicContact CG2-CD2 4.08Å; I1503-V1731 HydrophobicContact CD1-CG2 4Å; I1503-V1731 HydrophobicContact CG1-CG2 4.25Å; I1503-G1733 CarbonylContact O-C 3.46Å; I1503-G1733 VanDerWaalsContact O-C 3.26Å; I1503-G1733 WeakPolarHBondContact O-CA 3.39Å; I1503-G1733 PolarHBondContact O-N 3.15Å; I1503-S1734 PolarHBondContact O-N 2.99Å; I1503-G1735 PolarHBondContact O-N 3.33Å; I1503-Y1758 WeakPolarHBondContact O-CD2 3.5Å; I1503-I1776 HydrophobicContact CG2-CD1 3.78Å; I1503-I1806 HydrophobicContact CD1-CG2 3.97Å |
| 1504 | F | 85 | Confident | 82.4 | Confident | 22 Ų | 22 | 45 Ų | 45 | 10% | 0.096 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 5.5 | 179.2 | -65 | -91.3 | 0 | 0 | 0 | 113.3 | L1412 M1414 P1501 S1502 W1508 F1603 T1736 A1774 I1776 | L1412-F1504 HydrophobicContact CD2-CE2 4.19Å; L1412-F1504 HydrophobicContact CD2-CZ 4.33Å; L1412-F1504 HydrophobicContact CG-CE2 4.32Å; L1412-F1504 HydrophobicContact CG-CZ 4.12Å; L1412-F1504 WeakPolarHBondContact O-CZ 3.35Å; M1414-F1504 HydrophobicContact CB-CD1 4.18Å; M1414-F1504 HydrophobicContact CB-CD2 4.37Å; M1414-F1504 HydrophobicContact CB-CE1 4.07Å; M1414-F1504 HydrophobicContact CB-CE2 4.28Å; M1414-F1504 HydrophobicContact CB-CG 4.31Å; M1414-F1504 HydrophobicContact CB-CZ 4.12Å; M1414-F1504 HydrophobicContact CE-CB 3.9Å; M1414-F1504 HydrophobicContact CE-CD1 4.36Å; M1414-F1504 HydrophobicContact CE-CG 4.21Å; M1414-F1504 HydrophobicContact SD-CB 3.75Å; M1414-F1504 HydrophobicContact SD-CD1 4.33Å; M1414-F1504 HydrophobicContact SD-CD2 4.14Å; M1414-F1504 HydrophobicContact SD-CG 3.86Å; P1501-F1504 PolarHBondContact O-N 3.19Å; P1501-F1504 VanDerWaalsContact O-N 3.08Å; S1502-F1504 PolarHBondContact O-N 3.16Å; F1504-W1508 VanDerWaalsContact O-CD1 3.3Å; F1504-W1508 PolarHBondContact O-NE1 2.97Å; F1504-W1508 VanDerWaalsContact O-NE1 3.1Å; F1504-F1603 HydrophobicContact CD2-CD1 4.31Å; F1504-F1603 AromaticContact CD2-CE1 3.61Å; F1504-F1603 HydrophobicContact CD2-CE1 3.61Å; F1504-F1603 AromaticContact CE2-CD1 3.84Å; F1504-F1603 HydrophobicContact CE2-CD1 3.84Å; F1504-F1603 AromaticContact CE2-CE1 3.61Å; F1504-F1603 HydrophobicContact CE2-CE1 3.61Å; F1504-T1736 WeakPolarHBondContact O-CG2 3.46Å; F1504-A1774 HydrophobicContact CD1-CB 3.7Å; F1504-A1774 HydrophobicContact CE1-CB 4.07Å; F1504-I1776 HydrophobicContact CD1-CD1 4.21Å; F1504-I1776 HydrophobicContact CE1-CD1 3.85Å; F1504-I1776 HydrophobicContact CE1-CG1 3.96Å; F1504-I1776 HydrophobicContact CE1-CG2 4.24Å; F1504-I1776 HydrophobicContact CZ-CD1 4.14Å; F1504-I1776 HydrophobicContact CZ-CG1 4.39Å; F1504-I1776 HydrophobicContact CZ-CG2 3.91Å |
| 1505 | G | 81.6 | Confident | 81.7 | Confident | 13.8 Ų | 13.8 | 47.2 Ų | 47.2 | 14% | 0.142 | 28% | 0.276 | C | S | . | . | trans | 126 | 138.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | P1501 S1502 I1503 H1507 W1508 | P1501-G1505 PolarHBondContact O-N 2.9Å; S1502-G1505 CarbonylContact O-C 3.59Å; S1502-G1505 WeakPolarHBondContact O-CA 3.3Å; S1502-G1505 PolarHBondContact O-N 3.17Å; S1502-G1505 VanDerWaalsContact O-N 3.11Å; I1503-G1505 VanDerWaalsContact C-N 3.34Å; G1505-H1507 VanDerWaalsContact C-N 3.26Å; G1505-H1507 PolarHBondContact O-N 3.03Å; G1505-H1507 VanDerWaalsContact O-N 3.13Å; G1505-W1508 VanDerWaalsContact O-CD1 3.29Å; G1505-W1508 PolarHBondContact O-N 2.89Å | ||
| 1506 | S | 78.5 | Confident | 81.4 | Confident | 81.2 Ų | 81.2 | 53.8 Ų | 53.8 | 57% | 0.568 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -24.5 | -179.9 | 53.2 | 0 | 0 | 0 | 0 | 114.2 | W1508 N1509 A1510 D1755 | S1506-W1508 PolarHBondContact O-N 3.05Å; S1506-W1508 VanDerWaalsContact O-N 3.16Å; S1506-N1509 PolarHBondContact O-N 3.08Å; S1506-N1509 VanDerWaalsContact O-N 3.11Å; S1506-A1510 PolarHBondContact O-N 2.88Å; S1506-D1755 PolarHBondContact OG-OD1 3.27Å |
| 1507 | H | 82.2 | Confident | 81.2 | Confident | 99 Ų | 99 | 50.7 Ų | 50.7 | 46% | 0.458 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.9 | -29 | 178.4 | 66.3 | -87 | 0 | 0 | 0 | 113.3 | G1505 N1509 A1510 E1511 | G1505-H1507 VanDerWaalsContact C-N 3.26Å; G1505-H1507 PolarHBondContact O-N 3.03Å; G1505-H1507 VanDerWaalsContact O-N 3.13Å; H1507-N1509 VanDerWaalsContact C-N 3.32Å; H1507-N1509 PolarHBondContact O-N 3.13Å; H1507-A1510 WeakPolarHBondContact O-CB 3.39Å; H1507-A1510 PolarHBondContact O-N 3.14Å; H1507-A1510 VanDerWaalsContact O-N 3.15Å; H1507-E1511 PolarHBondContact O-N 3.04Å; H1507-E1511 VanDerWaalsContact O-N 3.14Å |
| 1508 | W | 86 | Confident | 81 | Confident | 24 Ų | 24 | 50.6 Ų | 50.6 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63 | -38.9 | 175.3 | -66.5 | 118.4 | 0 | 0 | 0 | 112.6 | M1414 V1416 P1501 F1504 G1505 S1506 A1510 E1511 L1512 L1599 L1601 | M1414-W1508 HydrophobicContact CE-CD2 4.35Å; M1414-W1508 VanDerWaalsContact CE-CE2 3.42Å; M1414-W1508 HydrophobicContact CE-CH2 4.39Å; M1414-W1508 HydrophobicContact CE-CZ2 3.62Å; M1414-W1508 VanDerWaalsContact CE-CZ2 3.48Å; M1414-W1508 HydrophobicContact SD-CD2 4.4Å; M1414-W1508 HydrophobicContact SD-CG 4.5Å; V1416-W1508 HydrophobicContact CB-CH2 4.45Å; V1416-W1508 HydrophobicContact CB-CZ3 4.47Å; V1416-W1508 HydrophobicContact CG1-CH2 4.04Å; V1416-W1508 HydrophobicContact CG1-CZ3 3.72Å; V1416-W1508 HydrophobicContact CG2-CH2 3.61Å; V1416-W1508 HydrophobicContact CG2-CZ2 4.17Å; V1416-W1508 HydrophobicContact CG2-CZ3 3.9Å; P1501-W1508 HydrophobicContact CB-CB 3.95Å; F1504-W1508 VanDerWaalsContact O-CD1 3.3Å; F1504-W1508 PolarHBondContact O-NE1 2.97Å; F1504-W1508 VanDerWaalsContact O-NE1 3.1Å; G1505-W1508 VanDerWaalsContact O-CD1 3.29Å; G1505-W1508 PolarHBondContact O-N 2.89Å; S1506-W1508 PolarHBondContact O-N 3.05Å; S1506-W1508 VanDerWaalsContact O-N 3.16Å; W1508-A1510 VanDerWaalsContact C-N 3.33Å; W1508-A1510 PolarHBondContact O-N 2.89Å; W1508-E1511 PolarHBondContact O-N 3.07Å; W1508-L1512 WeakPolarHBondContact O-CB 3.36Å; W1508-L1512 VanDerWaalsContact O-CG 3.28Å; W1508-L1512 WeakPolarHBondContact O-CG 3.22Å; W1508-L1512 PolarHBondContact O-N 3.14Å; W1508-L1599 HydrophobicContact CE3-CD2 4.19Å; W1508-L1599 HydrophobicContact CZ3-CD2 4.47Å; W1508-L1601 HydrophobicContact CB-CD1 3.87Å; W1508-L1601 HydrophobicContact CD2-CD1 4.29Å; W1508-L1601 HydrophobicContact CE3-CD1 4.22Å; W1508-L1601 HydrophobicContact CE3-CD2 3.98Å; W1508-L1601 HydrophobicContact CG-CD1 4.16Å; W1508-L1601 HydrophobicContact CZ3-CD2 4.24Å |
| 1509 | N | 84.4 | Confident | 80.8 | Confident | 28.4 Ų | 28.4 | 56.4 Ų | 56.4 | 15% | 0.152 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.8 | -33.7 | 175.1 | -80 | -8.8 | 0 | 0 | 0 | 112.1 | P1497 G1498 P1501 S1502 S1506 H1507 L1512 A1513 W2377 | P1497-N1509 VanDerWaalsContact CA-OD1 3.28Å; P1497-N1509 WeakPolarHBondContact CA-OD1 3.33Å; P1497-N1509 HydrophobicContact CB-CB 3.77Å; P1497-N1509 VanDerWaalsContact CB-CG 3.5Å; P1497-N1509 WeakPolarHBondContact CB-OD1 3.25Å; P1497-N1509 WeakPolarHBondContact CG-O 3.46Å; G1498-N1509 PolarHBondContact N-ND2 3.03Å; G1498-N1509 PolarHBondContact N-OD1 2.94Å; G1498-N1509 PolarHBondContact O-ND2 3.09Å; G1498-N1509 PolarHBondContact O-OD1 3.01Å; P1501-N1509 WeakPolarHBondContact CB-OD1 3.41Å; S1502-N1509 PolarHBondContact OG-ND2 3.22Å; S1506-N1509 PolarHBondContact O-N 3.08Å; S1506-N1509 VanDerWaalsContact O-N 3.11Å; H1507-N1509 VanDerWaalsContact C-N 3.32Å; H1507-N1509 PolarHBondContact O-N 3.13Å; N1509-L1512 PolarHBondContact O-N 3.03Å; N1509-A1513 VanDerWaalsContact O-CB 3.31Å; N1509-A1513 WeakPolarHBondContact O-CB 3.34Å; N1509-A1513 PolarHBondContact O-N 2.97Å; N1509-A1513 VanDerWaalsContact O-N 3.08Å; N1509-W2377 HydrophobicContact CB-CD2 4.04Å; N1509-W2377 HydrophobicContact CB-CG 4.3Å; N1509-W2377 HydrophobicContact CB-CZ2 4.24Å; N1509-W2377 VanDerWaalsContact ND2-CH2 3.26Å; N1509-W2377 WeakPolarHBondContact ND2-CH2 3.36Å; N1509-W2377 VanDerWaalsContact ND2-CZ2 3.29Å; N1509-W2377 WeakPolarHBondContact ND2-CZ2 3.27Å; N1509-W2377 WeakPolarHBondContact ND2-CZ3 3.17Å |
| 1510 | A | 80.9 | Confident | 80.6 | Confident | 70.2 Ų | 70.2 | 52.9 Ų | 52.9 | 58% | 0.58 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -66.2 | -38.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S1506 H1507 W1508 A1513 | S1506-A1510 PolarHBondContact O-N 2.88Å; H1507-A1510 WeakPolarHBondContact O-CB 3.39Å; H1507-A1510 PolarHBondContact O-N 3.14Å; H1507-A1510 VanDerWaalsContact O-N 3.15Å; W1508-A1510 VanDerWaalsContact C-N 3.33Å; W1508-A1510 PolarHBondContact O-N 2.89Å; A1510-A1513 PolarHBondContact O-N 3.44Å |
| 1511 | E | 81.9 | Confident | 80.4 | Confident | 59.2 Ų | 59.2 | 53.4 Ų | 53.4 | 28% | 0.277 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -71.3 | -43.2 | 174.8 | -147.4 | -178.8 | 162.6 | 0 | 0 | 111.7 | R1418 H1507 W1508 A1513 S1514 L1599 | R1418-E1511 IonicContact CZ-OE1 3Å; R1418-E1511 VanDerWaalsContact CZ-OE1 3.27Å; R1418-E1511 IonicContact CZ-OE2 3.17Å; R1418-E1511 VanDerWaalsContact CZ-OE2 3.22Å; R1418-E1511 IonicContact NE-OE1 3.5Å; R1418-E1511 PolarHBondContact NE-OE1 3.02Å; R1418-E1511 VanDerWaalsContact NH1-CD 3.31Å; R1418-E1511 IonicContact NH1-OE1 3.24Å; R1418-E1511 PolarHBondContact NH1-OE1 2.95Å; R1418-E1511 IonicContact NH1-OE2 3.15Å; R1418-E1511 PolarHBondContact NH1-OE2 3.15Å; R1418-E1511 VanDerWaalsContact NH2-CD 3.34Å; R1418-E1511 IonicContact NH2-OE1 3.31Å; R1418-E1511 PolarHBondContact NH2-OE1 3.36Å; R1418-E1511 VanDerWaalsContact NH2-OE1 3.1Å; R1418-E1511 IonicContact NH2-OE2 3.22Å; R1418-E1511 PolarHBondContact NH2-OE2 3.11Å; H1507-E1511 PolarHBondContact O-N 3.04Å; H1507-E1511 VanDerWaalsContact O-N 3.14Å; W1508-E1511 PolarHBondContact O-N 3.07Å; E1511-A1513 VanDerWaalsContact C-N 3.34Å; E1511-A1513 PolarHBondContact O-N 2.97Å; E1511-A1513 VanDerWaalsContact O-N 3.16Å; E1511-S1514 PolarHBondContact O-N 3.31Å; E1511-S1514 VanDerWaalsContact O-N 3.15Å; E1511-S1514 PolarHBondContact O-OG 3.16Å; E1511-L1599 HydrophobicContact CB-CD2 3.79Å; E1511-L1599 HydrophobicContact CG-CB 4.39Å; E1511-L1599 HydrophobicContact CG-CD2 3.8Å; E1511-L1599 WeakPolarHBondContact OE2-CD2 3.29Å |
| 1512 | L | 83.7 | Confident | 79.9 | Confident | 3.6 Ų | 3.6 | 57.6 Ų | 57.6 | 2% | 0.019 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.1 | -20.1 | 175.8 | -73.8 | 171.7 | 0 | 0 | 0 | 114.1 | P1497 P1501 W1508 N1509 S1514 P1515 L1599 L1601 | P1497-L1512 HydrophobicContact CB-CB 4.36Å; P1497-L1512 HydrophobicContact CG-CB 4.03Å; P1501-L1512 HydrophobicContact CB-CD1 4.06Å; P1501-L1512 HydrophobicContact CG-CD1 3.7Å; W1508-L1512 WeakPolarHBondContact O-CB 3.36Å; W1508-L1512 VanDerWaalsContact O-CG 3.28Å; W1508-L1512 WeakPolarHBondContact O-CG 3.22Å; W1508-L1512 PolarHBondContact O-N 3.14Å; N1509-L1512 PolarHBondContact O-N 3.03Å; L1512-S1514 PolarHBondContact O-N 3.1Å; L1512-P1515 WeakPolarHBondContact O-CD 3.29Å; L1512-L1599 HydrophobicContact CD2-CB 4.1Å; L1512-L1599 HydrophobicContact CD2-CD2 3.94Å; L1512-L1599 HydrophobicContact CD2-CG 4.07Å; L1512-L1599 HydrophobicContact CG-CD2 3.96Å; L1512-L1599 HydrophobicContact CG-CG 4.44Å; L1512-L1601 HydrophobicContact CD1-CD1 3.72Å; L1512-L1601 HydrophobicContact CD1-CG 4.31Å; L1512-L1601 HydrophobicContact CD2-CG 4.39Å; L1512-L1601 HydrophobicContact CG-CD1 4.27Å; L1512-L1601 HydrophobicContact CG-CG 4.49Å |
| 1513 | A | 79.4 | Confident | 79.8 | Confident | 45.2 Ų | 45.2 | 60.3 Ų | 60.3 | 37% | 0.374 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -2.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | P1497 N1509 A1510 E1511 P1515 N2380 R2381 | P1497-A1513 HydrophobicContact CG-CB 4.2Å; N1509-A1513 VanDerWaalsContact O-CB 3.31Å; N1509-A1513 WeakPolarHBondContact O-CB 3.34Å; N1509-A1513 PolarHBondContact O-N 2.97Å; N1509-A1513 VanDerWaalsContact O-N 3.08Å; A1510-A1513 PolarHBondContact O-N 3.44Å; E1511-A1513 VanDerWaalsContact C-N 3.34Å; E1511-A1513 PolarHBondContact O-N 2.97Å; E1511-A1513 VanDerWaalsContact O-N 3.16Å; A1513-P1515 VanDerWaalsContact O-CD 3.3Å; A1513-P1515 WeakPolarHBondContact O-CD 3.37Å; A1513-N2380 HydrophobicContact CB-CB 4.28Å; A1513-R2381 WeakPolarHBondContact O-CA 3.44Å; A1513-R2381 WeakPolarHBondContact O-CD 3.29Å |
| 1514 | S | 71 | Confident | 79.7 | Confident | 79.8 Ų | 79.8 | 65 Ų | 65 | 56% | 0.558 | 34% | 0.342 | S | S | * | . | trans | -115.4 | 35.1 | -174.4 | 68.6 | 0 | 0 | 0 | 0 | 116.9 | E1511 L1512 R1516 | E1511-S1514 PolarHBondContact O-N 3.31Å; E1511-S1514 VanDerWaalsContact O-N 3.15Å; E1511-S1514 PolarHBondContact O-OG 3.16Å; L1512-S1514 PolarHBondContact O-N 3.1Å; S1514-R1516 PolarHBondContact O-N 2.85Å | ||
| 1515 | P | 70.4 | Confident | 79.7 | Confident | 45.8 Ų | 45.8 | 68 Ų | 68 | 30% | 0.297 | 36% | 0.359 | S | S | . | . | trans | -70.5 | 139.4 | -177.8 | 32.8 | -34.9 | 0 | 0 | 0 | 111 | L1512 A1513 S1517 S1596 R2381 | L1512-P1515 WeakPolarHBondContact O-CD 3.29Å; A1513-P1515 VanDerWaalsContact O-CD 3.3Å; A1513-P1515 WeakPolarHBondContact O-CD 3.37Å; P1515-S1517 PolarHBondContact O-N 3.1Å; P1515-S1596 WeakPolarHBondContact CB-OG 3.29Å; P1515-R2381 VanDerWaalsContact CG-NH2 3.32Å | ||
| 1516 | R | 74.6 | Confident | 80 | Confident | 166.2 Ų | 166.2 | 67.5 Ų | 67.5 | 63% | 0.627 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 114.7 | 173.7 | -67.6 | -176.2 | 179.7 | 179.1 | -0.6 | 109.6 | S1514 I1518 S1596 H1597 | S1514-R1516 PolarHBondContact O-N 2.85Å; R1516-I1518 HydrophobicContact CB-CG1 4.4Å; R1516-I1518 PolarHBondContact O-N 3.12Å; R1516-S1596 WeakPolarHBondContact O-CA 3.45Å; R1516-H1597 HydrophobicContact CB-CB 4.42Å; R1516-H1597 PolarHBondContact N-O 2.93Å; R1516-H1597 PolarHBondContact O-N 3.19Å |
| 1517 | S | 77.5 | Confident | 80.2 | Confident | 65.2 Ų | 65.2 | 64.2 Ų | 64.2 | 46% | 0.456 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 121.8 | 167.8 | 6.7 | 0 | 0 | 0 | 0 | 109.7 | P1515 C1595 | P1515-S1517 PolarHBondContact O-N 3.1Å; S1517-C1595 CarbonylContact C-O 3.55Å; S1517-C1595 WeakPolarHBondContact CA-O 3.34Å |
| 1518 | I | 78.1 | Confident | 80.4 | Confident | 50.2 Ų | 50.2 | 64.4 Ų | 64.4 | 26% | 0.257 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 131.9 | 178.9 | -50.8 | 175.6 | 0 | 0 | 0 | 108.5 | R1516 Y1520 C1595 H1597 | R1516-I1518 HydrophobicContact CB-CG1 4.4Å; R1516-I1518 PolarHBondContact O-N 3.12Å; I1518-Y1520 HydrophobicContact CB-CD2 4.41Å; I1518-Y1520 HydrophobicContact CB-CE2 3.78Å; I1518-Y1520 HydrophobicContact CG2-CD1 4.28Å; I1518-Y1520 HydrophobicContact CG2-CD2 4.1Å; I1518-Y1520 HydrophobicContact CG2-CE1 3.76Å; I1518-Y1520 HydrophobicContact CG2-CE2 3.58Å; I1518-Y1520 HydrophobicContact CG2-CG 4.42Å; I1518-Y1520 VanDerWaalsContact CG2-CZ 3.41Å; I1518-C1595 PolarHBondContact N-O 3.11Å; I1518-C1595 PolarHBondContact O-N 2.96Å; I1518-H1597 HydrophobicContact CD1-CB 3.81Å; I1518-H1597 HydrophobicContact CG1-CB 4.41Å |
| 1519 | Y | 79.1 | Confident | 80.5 | Confident | 139 Ų | 139 | 63.9 Ų | 63.9 | 55% | 0.545 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 125.6 | 174.1 | -63.2 | -88.6 | 0 | 0 | 0 | 109.4 | V1592 Q1593 L1594 | Y1519-V1592 HydrophobicContact CD1-CB 4.46Å; Y1519-V1592 HydrophobicContact CD1-CG2 4.19Å; Y1519-Q1593 WeakPolarHBondContact CA-O 3.29Å; Y1519-L1594 HydrophobicContact CD1-CB 4.45Å; Y1519-L1594 HydrophobicContact CD1-CD1 4.21Å; Y1519-L1594 HydrophobicContact CE1-CB 4.3Å; Y1519-L1594 HydrophobicContact CE1-CD1 3.83Å; Y1519-L1594 HydrophobicContact CE2-CD1 4.34Å; Y1519-L1594 HydrophobicContact CG-CD1 4.46Å |
| 1520 | Y | 79.3 | Confident | 80.6 | Confident | 33.8 Ų | 33.8 | 65.7 Ų | 65.7 | 13% | 0.133 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 148.2 | 176.9 | -64.9 | -73 | 0 | 0 | 0 | 111.2 | T1421 C1440 T1442 H1446 I1518 V1592 Q1593 C1595 | T1421-Y1520 HydrophobicContact CG2-CE2 4.24Å; C1440-Y1520 VanDerWaalsContact SG-CD2 3.54Å; T1442-Y1520 HydrophobicContact CG2-CD1 4.39Å; T1442-Y1520 HydrophobicContact CG2-CD2 4.03Å; T1442-Y1520 HydrophobicContact CG2-CG 3.73Å; H1446-Y1520 HydrophobicContact CB-CD1 4.35Å; H1446-Y1520 HydrophobicContact CB-CE1 3.88Å; H1446-Y1520 HydrophobicContact CB-CE2 4.13Å; H1446-Y1520 AromaticContact CD2-CD1 3.5Å; H1446-Y1520 VanDerWaalsContact CD2-CD1 3.45Å; H1446-Y1520 WeakPolarHBondContact CD2-CD1 3.42Å; H1446-Y1520 AromaticContact CD2-CD2 3.85Å; H1446-Y1520 AromaticContact CD2-CE1 3.44Å; H1446-Y1520 VanDerWaalsContact CD2-CE1 3.46Å; H1446-Y1520 WeakPolarHBondContact CD2-CE1 3.35Å; H1446-Y1520 AromaticContact CD2-CE2 3.83Å; H1446-Y1520 AromaticContact CD2-CG 3.61Å; H1446-Y1520 AromaticContact CD2-CZ 3.76Å; H1446-Y1520 AromaticContact CE1-CD1 3.8Å; H1446-Y1520 AromaticContact CE1-CE1 3.72Å; H1446-Y1520 VanDerWaalsContact CE1-CE1 3.44Å; H1446-Y1520 WeakPolarHBondContact CE1-CE1 3.46Å; H1446-Y1520 AromaticContact CG-CD1 3.92Å; H1446-Y1520 AromaticContact CG-CE1 3.39Å; H1446-Y1520 VanDerWaalsContact CG-CE1 3.46Å; H1446-Y1520 AromaticContact CG-CE2 3.84Å; H1446-Y1520 AromaticContact CG-CZ 3.69Å; H1446-Y1520 AromaticContact ND1-CE1 3.66Å; H1446-Y1520 WeakPolarHBondContact ND1-CE1 3.25Å; H1446-Y1520 AromaticContact ND1-CZ 3.73Å; H1446-Y1520 AromaticContact NE2-CD1 3.73Å; H1446-Y1520 VanDerWaalsContact NE2-CD1 3.26Å; H1446-Y1520 WeakPolarHBondContact NE2-CD1 3.29Å; H1446-Y1520 AromaticContact NE2-CE1 3.68Å; H1446-Y1520 WeakPolarHBondContact NE2-CE1 3.5Å; H1446-Y1520 AromaticContact NE2-CG 3.91Å; I1518-Y1520 HydrophobicContact CB-CD2 4.41Å; I1518-Y1520 HydrophobicContact CB-CE2 3.78Å; I1518-Y1520 HydrophobicContact CG2-CD1 4.28Å; I1518-Y1520 HydrophobicContact CG2-CD2 4.1Å; I1518-Y1520 HydrophobicContact CG2-CE1 3.76Å; I1518-Y1520 HydrophobicContact CG2-CE2 3.58Å; I1518-Y1520 HydrophobicContact CG2-CG 4.42Å; I1518-Y1520 VanDerWaalsContact CG2-CZ 3.41Å; Y1520-V1592 CarbonylContact O-C 3.56Å; Y1520-V1592 WeakPolarHBondContact O-CA 3.4Å; Y1520-Q1593 PolarHBondContact N-O 3.1Å; Y1520-Q1593 PolarHBondContact O-N 3.14Å; Y1520-C1595 HydrophobicContact CD2-CB 3.95Å; Y1520-C1595 HydrophobicContact CE2-CB 4.08Å |
| 1521 | E | 81.5 | Confident | 81 | Confident | 17.8 Ų | 17.8 | 66.4 Ų | 66.4 | 8% | 0.083 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 135.2 | 172.1 | -59.7 | 87.9 | -149.8 | 0 | 0 | 110.5 | Y1443 K1523 C1526 G1527 K1530 Y1585 V1592 | Y1443-E1521 HydrophobicContact CD1-CB 4.43Å; Y1443-E1521 VanDerWaalsContact CD1-O 3.31Å; Y1443-E1521 WeakPolarHBondContact CD1-O 3.33Å; Y1443-E1521 HydrophobicContact CE1-CB 4.27Å; E1521-K1523 VanDerWaalsContact C-N 3.33Å; E1521-K1523 PolarHBondContact O-N 3.01Å; E1521-C1526 HydrophobicContact CB-CB 4.11Å; E1521-C1526 HydrophobicContact CG-CB 4.23Å; E1521-C1526 VanDerWaalsContact OE2-CB 3.23Å; E1521-C1526 WeakPolarHBondContact OE2-CB 3.38Å; E1521-G1527 WeakPolarHBondContact OE2-CA 3.28Å; E1521-G1527 PolarHBondContact OE2-N 2.98Å; E1521-K1530 HydrophobicContact CG-CD 4.47Å; E1521-K1530 WeakPolarHBondContact OE1-CD 3.25Å; E1521-K1530 WeakPolarHBondContact OE1-CE 3.38Å; E1521-K1530 IonicContact OE1-NZ 2.75Å; E1521-K1530 PolarHBondContact OE1-NZ 2.97Å; E1521-K1530 IonicContact OE2-NZ 2.64Å; E1521-Y1585 HydrophobicContact CG-CE2 4.43Å; E1521-V1592 HydrophobicContact CG-CG1 4.22Å |
| 1522 | E | 75.6 | Confident | 81.5 | Confident | 89.8 Ų | 89.8 | 66.8 Ų | 66.8 | 42% | 0.42 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -67.7 | -37.4 | 176.9 | -174.5 | -175.2 | -150.4 | 0 | 0 | 111.6 | Y1443 H1591 | Y1443-E1522 PolarHBondContact N-O 3.18Å; E1522-H1591 PolarHBondContact N-O 3.1Å |
| 1523 | K | 80.8 | Confident | 81.8 | Confident | 98.8 Ų | 98.8 | 67.5 Ų | 67.5 | 43% | 0.43 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -112.8 | 137.3 | -170.3 | -61.4 | 171.8 | -172.5 | 166.7 | 0 | 111.9 | E1521 L1525 C1526 G1527 | E1521-K1523 VanDerWaalsContact C-N 3.33Å; E1521-K1523 PolarHBondContact O-N 3.01Å; K1523-L1525 VanDerWaalsContact C-N 3.29Å; K1523-L1525 PolarHBondContact O-N 3.12Å; K1523-C1526 HydrophobicContact CB-CB 4.35Å; K1523-C1526 WeakPolarHBondContact O-CB 3.44Å; K1523-C1526 PolarHBondContact O-N 3.14Å; K1523-C1526 VanDerWaalsContact O-N 3.11Å; K1523-G1527 PolarHBondContact O-N 3.12Å; K1523-G1527 VanDerWaalsContact O-N 3.15Å |
| 1524 | Q | 82.9 | Confident | 82.3 | Confident | 132.6 Ų | 132.6 | 69.4 Ų | 69.4 | 62% | 0.62 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -56.1 | -41.9 | 176.6 | -177.8 | 178.7 | -8.8 | 0 | 0 | 112.7 | Y1443 C1526 G1527 Q1528 | Y1443-Q1524 VanDerWaalsContact CB-N 3.34Å; Y1443-Q1524 HydrophobicContact CD2-CB 3.75Å; Y1443-Q1524 HydrophobicContact CD2-CG 3.95Å; Y1443-Q1524 HydrophobicContact CE2-CB 4.44Å; Y1443-Q1524 HydrophobicContact CE2-CG 4.32Å; Y1443-Q1524 VanDerWaalsContact CG-CA 3.47Å; Y1443-Q1524 HydrophobicContact CG-CB 3.97Å; Q1524-C1526 VanDerWaalsContact C-N 3.27Å; Q1524-C1526 PolarHBondContact O-N 3.24Å; Q1524-G1527 PolarHBondContact O-N 3.09Å; Q1524-G1527 VanDerWaalsContact O-N 3.17Å; Q1524-Q1528 PolarHBondContact O-N 3.05Å; Q1524-Q1528 VanDerWaalsContact O-N 3.15Å |
| 1525 | L | 85.1 | Confident | 83.3 | Confident | 85.2 Ų | 85.2 | 71.2 Ų | 71.2 | 45% | 0.446 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -57.5 | -40 | 176.9 | -179.1 | 66 | 0 | 0 | 0 | 111.9 | K1523 G1527 Q1528 L1529 | K1523-L1525 VanDerWaalsContact C-N 3.29Å; K1523-L1525 PolarHBondContact O-N 3.12Å; L1525-G1527 VanDerWaalsContact C-N 3.27Å; L1525-G1527 PolarHBondContact O-N 2.92Å; L1525-Q1528 PolarHBondContact O-N 3.14Å; L1525-L1529 HydrophobicContact CD1-CD1 4.19Å; L1525-L1529 HydrophobicContact CD1-CG 4.24Å; L1525-L1529 HydrophobicContact CD2-CD1 4.36Å; L1525-L1529 HydrophobicContact CG-CD1 3.98Å; L1525-L1529 HydrophobicContact CG-CG 4.34Å; L1525-L1529 WeakPolarHBondContact O-CB 3.36Å; L1525-L1529 VanDerWaalsContact O-CG 3.28Å; L1525-L1529 WeakPolarHBondContact O-CG 3.42Å; L1525-L1529 PolarHBondContact O-N 3.24Å |
| 1526 | C | 86.7 | Confident | 84.4 | Confident | 2.6 Ų | 2.6 | 70.2 Ų | 70.2 | 2% | 0.018 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.9 | -39.1 | 179 | -67.7 | 0 | 0 | 0 | 0 | 112.1 | E1521 K1523 Q1524 Q1528 L1529 K1530 Y1585 C1590 | E1521-C1526 HydrophobicContact CB-CB 4.11Å; E1521-C1526 HydrophobicContact CG-CB 4.23Å; E1521-C1526 VanDerWaalsContact OE2-CB 3.23Å; E1521-C1526 WeakPolarHBondContact OE2-CB 3.38Å; K1523-C1526 HydrophobicContact CB-CB 4.35Å; K1523-C1526 WeakPolarHBondContact O-CB 3.44Å; K1523-C1526 PolarHBondContact O-N 3.14Å; K1523-C1526 VanDerWaalsContact O-N 3.11Å; Q1524-C1526 VanDerWaalsContact C-N 3.27Å; Q1524-C1526 PolarHBondContact O-N 3.24Å; C1526-Q1528 VanDerWaalsContact C-N 3.28Å; C1526-Q1528 PolarHBondContact O-N 3.12Å; C1526-L1529 PolarHBondContact O-N 3.13Å; C1526-K1530 VanDerWaalsContact O-CB 3.31Å; C1526-K1530 WeakPolarHBondContact O-CB 3.42Å; C1526-K1530 PolarHBondContact O-N 3.24Å; C1526-K1530 VanDerWaalsContact O-N 3.11Å; C1526-Y1585 HydrophobicContact CB-CE2 4.25Å; C1526-Y1585 WeakPolarHBondContact O-CE2 3.44Å; C1526-C1590 VanDerWaalsContact CA-SG 3.53Å; C1526-C1590 WeakPolarHBondContact CA-SG 3.36Å; C1526-C1590 HydrophobicContact CB-CB 3.61Å; C1526-C1590 WeakPolarHBondContact CB-SG 3.26Å; C1526-C1590 WeakPolarHBondContact SG-CA 3.33Å; C1526-C1590 WeakPolarHBondContact SG-CB 3.32Å; C1526-C1590 CovalentContact SG-SG 2.03Å; C1526-C1590 PolarHBondContact SG-SG 3.22Å |
| 1527 | G | 83.1 | Confident | 85.2 | Confident | 11.4 Ų | 11.4 | 64.4 Ų | 64.4 | 12% | 0.118 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.1 | -37.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E1521 K1523 Q1524 L1525 L1531 | E1521-G1527 WeakPolarHBondContact OE2-CA 3.28Å; E1521-G1527 PolarHBondContact OE2-N 2.98Å; K1523-G1527 PolarHBondContact O-N 3.12Å; K1523-G1527 VanDerWaalsContact O-N 3.15Å; Q1524-G1527 PolarHBondContact O-N 3.09Å; Q1524-G1527 VanDerWaalsContact O-N 3.17Å; L1525-G1527 VanDerWaalsContact C-N 3.27Å; L1525-G1527 PolarHBondContact O-N 2.92Å; G1527-L1531 WeakPolarHBondContact O-CB 3.39Å; G1527-L1531 PolarHBondContact O-N 3.13Å; G1527-L1531 VanDerWaalsContact O-N 3.16Å |
| 1528 | Q | 86.8 | Confident | 85.7 | Confident | 103 Ų | 103 | 63.5 Ų | 63.5 | 48% | 0.481 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -69.8 | -50.3 | 175.3 | -161 | 172.9 | -10.9 | 0 | 0 | 112.2 | Q1524 L1525 C1526 K1530 L1531 D1532 | Q1524-Q1528 PolarHBondContact O-N 3.05Å; Q1524-Q1528 VanDerWaalsContact O-N 3.15Å; L1525-Q1528 PolarHBondContact O-N 3.14Å; C1526-Q1528 VanDerWaalsContact C-N 3.28Å; C1526-Q1528 PolarHBondContact O-N 3.12Å; Q1528-K1530 VanDerWaalsContact C-N 3.26Å; Q1528-K1530 PolarHBondContact O-N 3.02Å; Q1528-L1531 CarbonylContact O-C 3.49Å; Q1528-L1531 WeakPolarHBondContact O-CA 3.45Å; Q1528-L1531 WeakPolarHBondContact O-CB 3.37Å; Q1528-L1531 PolarHBondContact O-N 3.01Å; Q1528-L1531 VanDerWaalsContact O-N 3.08Å; Q1528-D1532 VanDerWaalsContact O-CG 3.24Å; Q1528-D1532 PolarHBondContact O-N 3.25Å |
| 1529 | L | 88.5 | Confident | 86.2 | Confident | 14.4 Ų | 14.4 | 64.5 Ų | 64.5 | 8% | 0.075 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.3 | -37 | 179.1 | -70.7 | 172.3 | 0 | 0 | 0 | 112.7 | L1525 C1526 C1533 K1584 Y1585 H1588 | L1525-L1529 HydrophobicContact CD1-CD1 4.19Å; L1525-L1529 HydrophobicContact CD1-CG 4.24Å; L1525-L1529 HydrophobicContact CD2-CD1 4.36Å; L1525-L1529 HydrophobicContact CG-CD1 3.98Å; L1525-L1529 HydrophobicContact CG-CG 4.34Å; L1525-L1529 WeakPolarHBondContact O-CB 3.36Å; L1525-L1529 VanDerWaalsContact O-CG 3.28Å; L1525-L1529 WeakPolarHBondContact O-CG 3.42Å; L1525-L1529 PolarHBondContact O-N 3.24Å; C1526-L1529 PolarHBondContact O-N 3.13Å; L1529-C1533 WeakPolarHBondContact O-CB 3.35Å; L1529-C1533 PolarHBondContact O-N 2.85Å; L1529-C1533 VanDerWaalsContact O-N 3.1Å; L1529-K1584 HydrophobicContact CD1-CB 4.36Å; L1529-K1584 HydrophobicContact CD2-CB 3.79Å; L1529-K1584 HydrophobicContact CD2-CD 4.27Å; L1529-Y1585 HydrophobicContact CB-CD2 4.25Å; L1529-H1588 HydrophobicContact CD1-CB 4.09Å; L1529-H1588 VanDerWaalsContact CD1-CD2 3.44Å; L1529-H1588 WeakPolarHBondContact CD1-CD2 3.35Å |
| 1530 | K | 86.6 | Confident | 86.6 | Confident | 66.8 Ų | 66.8 | 58 Ų | 58 | 29% | 0.29 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 173 | -176.9 | -177 | 176.3 | -170.3 | 0 | 111.6 | E1521 C1526 Q1528 C1533 Q1534 Y1585 D2397 | E1521-K1530 HydrophobicContact CG-CD 4.47Å; E1521-K1530 WeakPolarHBondContact OE1-CD 3.25Å; E1521-K1530 WeakPolarHBondContact OE1-CE 3.38Å; E1521-K1530 IonicContact OE1-NZ 2.75Å; E1521-K1530 PolarHBondContact OE1-NZ 2.97Å; E1521-K1530 IonicContact OE2-NZ 2.64Å; C1526-K1530 VanDerWaalsContact O-CB 3.31Å; C1526-K1530 WeakPolarHBondContact O-CB 3.42Å; C1526-K1530 PolarHBondContact O-N 3.24Å; C1526-K1530 VanDerWaalsContact O-N 3.11Å; Q1528-K1530 VanDerWaalsContact C-N 3.26Å; Q1528-K1530 PolarHBondContact O-N 3.02Å; K1530-C1533 PolarHBondContact O-N 3.12Å; K1530-Q1534 WeakPolarHBondContact O-CB 3.36Å; K1530-Q1534 VanDerWaalsContact O-CG 3.3Å; K1530-Q1534 WeakPolarHBondContact O-CG 3.41Å; K1530-Q1534 PolarHBondContact O-N 3.09Å; K1530-Y1585 HydrophobicContact CB-CD2 3.96Å; K1530-Y1585 HydrophobicContact CB-CE2 3.81Å; K1530-Y1585 HydrophobicContact CG-CE2 4.31Å; K1530-D2397 WeakPolarHBondContact CE-OD2 3.45Å; K1530-D2397 IonicContact NZ-OD2 3.08Å; K1530-D2397 PolarHBondContact NZ-OD2 2.04Å |
| 1531 | L | 88.8 | Confident | 86.9 | Confident | 84.2 Ų | 84.2 | 57.9 Ų | 57.9 | 44% | 0.441 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 178.6 | -162 | 79.2 | 0 | 0 | 0 | 111.8 | G1527 Q1528 Q1534 H1535 | G1527-L1531 WeakPolarHBondContact O-CB 3.39Å; G1527-L1531 PolarHBondContact O-N 3.13Å; G1527-L1531 VanDerWaalsContact O-N 3.16Å; Q1528-L1531 CarbonylContact O-C 3.49Å; Q1528-L1531 WeakPolarHBondContact O-CA 3.45Å; Q1528-L1531 WeakPolarHBondContact O-CB 3.37Å; Q1528-L1531 PolarHBondContact O-N 3.01Å; Q1528-L1531 VanDerWaalsContact O-N 3.08Å; L1531-Q1534 WeakPolarHBondContact O-CB 3.25Å; L1531-Q1534 PolarHBondContact O-N 2.98Å; L1531-H1535 WeakPolarHBondContact CD2-NE2 3.49Å; L1531-H1535 WeakPolarHBondContact O-CB 3.34Å; L1531-H1535 PolarHBondContact O-CD2 3.18Å; L1531-H1535 PolarHBondContact O-N 3.11Å |
| 1532 | D | 91.2 | Very high | 86.9 | Confident | 67.6 Ų | 67.6 | 62.2 Ų | 62.2 | 36% | 0.361 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 177 | -64.5 | -22.6 | 0 | 0 | 0 | 111.2 | Q1528 H1535 C1536 V1581 | Q1528-D1532 VanDerWaalsContact O-CG 3.24Å; Q1528-D1532 PolarHBondContact O-N 3.25Å; D1532-H1535 PolarHBondContact O-N 2.97Å; D1532-C1536 PolarHBondContact O-N 3.03Å; D1532-C1536 VanDerWaalsContact O-N 3.15Å; D1532-V1581 HydrophobicContact CB-CG1 4Å |
| 1533 | C | 90.8 | Very high | 87 | Confident | 17.2 Ų | 17.2 | 62.3 Ų | 62.3 | 12% | 0.116 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 173.7 | 173.4 | 0 | 0 | 0 | 0 | 111.7 | L1529 K1530 H1535 C1536 L1537 V1581 C1582 W2398 | L1529-C1533 WeakPolarHBondContact O-CB 3.35Å; L1529-C1533 PolarHBondContact O-N 2.85Å; L1529-C1533 VanDerWaalsContact O-N 3.1Å; K1530-C1533 PolarHBondContact O-N 3.12Å; C1533-H1535 VanDerWaalsContact C-N 3.35Å; C1533-H1535 PolarHBondContact O-N 3.07Å; C1533-C1536 WeakPolarHBondContact O-CB 3.36Å; C1533-C1536 PolarHBondContact O-N 3.01Å; C1533-L1537 WeakPolarHBondContact O-CG 3.42Å; C1533-L1537 PolarHBondContact O-N 2.87Å; C1533-V1581 HydrophobicContact CB-CG1 4.49Å; C1533-C1582 VanDerWaalsContact CA-SG 3.57Å; C1533-C1582 HydrophobicContact CB-CB 3.98Å; C1533-C1582 WeakPolarHBondContact CB-SG 3.35Å; C1533-C1582 VanDerWaalsContact SG-CA 3.53Å; C1533-C1582 WeakPolarHBondContact SG-CB 3.39Å; C1533-C1582 CovalentContact SG-SG 2.04Å; C1533-C1582 PolarHBondContact SG-SG 3.08Å; C1533-W2398 VanDerWaalsContact SG-CZ3 3.58Å |
| 1534 | Q | 90.3 | Very high | 86.8 | Confident | 86.2 Ų | 86.2 | 58.8 Ų | 58.8 | 40% | 0.403 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.7 | -41.6 | 176 | -91.5 | 179.4 | -23.8 | 0 | 0 | 112.3 | K1530 L1531 C1536 L1537 A1538 T2400 | K1530-Q1534 WeakPolarHBondContact O-CB 3.36Å; K1530-Q1534 VanDerWaalsContact O-CG 3.3Å; K1530-Q1534 WeakPolarHBondContact O-CG 3.41Å; K1530-Q1534 PolarHBondContact O-N 3.09Å; L1531-Q1534 WeakPolarHBondContact O-CB 3.25Å; L1531-Q1534 PolarHBondContact O-N 2.98Å; Q1534-C1536 VanDerWaalsContact C-N 3.33Å; Q1534-C1536 PolarHBondContact O-N 2.73Å; Q1534-L1537 PolarHBondContact O-N 3.43Å; Q1534-A1538 VanDerWaalsContact O-CB 3.29Å; Q1534-A1538 WeakPolarHBondContact O-CB 3.35Å; Q1534-A1538 PolarHBondContact O-N 3Å; Q1534-T2400 HydrophobicContact CG-CG2 4.07Å; Q1534-T2400 PolarHBondContact NE2-OG1 2.67Å |
| 1535 | H | 92.2 | Very high | 86.2 | Confident | 116.6 Ų | 116.6 | 58.5 Ų | 58.5 | 54% | 0.54 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.2 | -37.9 | 175.2 | -79.2 | -55.1 | 0 | 0 | 0 | 112.6 | L1531 D1532 C1533 A1538 S1539 | L1531-H1535 WeakPolarHBondContact CD2-NE2 3.49Å; L1531-H1535 WeakPolarHBondContact O-CB 3.34Å; L1531-H1535 PolarHBondContact O-CD2 3.18Å; L1531-H1535 PolarHBondContact O-N 3.11Å; D1532-H1535 PolarHBondContact O-N 2.97Å; C1533-H1535 VanDerWaalsContact C-N 3.35Å; C1533-H1535 PolarHBondContact O-N 3.07Å; H1535-A1538 PolarHBondContact O-N 3.18Å; H1535-S1539 WeakPolarHBondContact O-CB 3.37Å; H1535-S1539 PolarHBondContact O-N 2.99Å; H1535-S1539 VanDerWaalsContact O-N 3.09Å; H1535-S1539 PolarHBondContact O-OG 3.35Å |
| 1536 | C | 92.6 | Very high | 85.4 | Confident | 24.6 Ų | 24.6 | 58.6 Ų | 58.6 | 17% | 0.166 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.8 | -49.2 | 174.8 | -169.1 | 0 | 0 | 0 | 0 | 111.6 | D1532 C1533 Q1534 A1538 S1539 C1540 C1578 V1581 | D1532-C1536 PolarHBondContact O-N 3.03Å; D1532-C1536 VanDerWaalsContact O-N 3.15Å; C1533-C1536 WeakPolarHBondContact O-CB 3.36Å; C1533-C1536 PolarHBondContact O-N 3.01Å; Q1534-C1536 VanDerWaalsContact C-N 3.33Å; Q1534-C1536 PolarHBondContact O-N 2.73Å; C1536-A1538 VanDerWaalsContact C-N 3.31Å; C1536-A1538 PolarHBondContact O-N 3.13Å; C1536-S1539 WeakPolarHBondContact O-CA 3.22Å; C1536-S1539 WeakPolarHBondContact O-CB 3.22Å; C1536-S1539 PolarHBondContact O-N 3.24Å; C1536-S1539 VanDerWaalsContact O-N 3.11Å; C1536-C1540 PolarHBondContact O-N 3.1Å; C1536-C1540 VanDerWaalsContact O-N 3.09Å; C1536-C1578 HydrophobicContact CB-CB 3.9Å; C1536-C1578 WeakPolarHBondContact CB-SG 3.31Å; C1536-C1578 PolarHBondContact O-SG 3.25Å; C1536-C1578 VanDerWaalsContact O-SG 3.41Å; C1536-C1578 WeakPolarHBondContact SG-CA 3.26Å; C1536-C1578 WeakPolarHBondContact SG-CB 3.26Å; C1536-C1578 CovalentContact SG-SG 2.05Å; C1536-C1578 PolarHBondContact SG-SG 3.03Å; C1536-V1581 HydrophobicContact CB-CB 4.38Å; C1536-V1581 HydrophobicContact CB-CG1 4.3Å; C1536-V1581 HydrophobicContact CB-CG2 4.4Å |
| 1537 | L | 90.9 | Very high | 84.1 | Confident | 46.4 Ų | 46.4 | 61.8 Ų | 61.8 | 24% | 0.243 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.3 | -38.1 | 178.5 | -66.8 | 173.5 | 0 | 0 | 0 | 112 | C1533 Q1534 S1539 C1540 A1541 F1570 A1574 C1578 W2398 | C1533-L1537 WeakPolarHBondContact O-CG 3.42Å; C1533-L1537 PolarHBondContact O-N 2.87Å; Q1534-L1537 PolarHBondContact O-N 3.43Å; L1537-S1539 VanDerWaalsContact C-N 3.34Å; L1537-S1539 PolarHBondContact O-N 2.71Å; L1537-C1540 WeakPolarHBondContact O-CB 3.44Å; L1537-C1540 PolarHBondContact O-N 3.17Å; L1537-A1541 PolarHBondContact O-N 2.98Å; L1537-F1570 HydrophobicContact CB-CZ 4.33Å; L1537-F1570 HydrophobicContact CD2-CE1 4.47Å; L1537-F1570 HydrophobicContact CD2-CZ 4.12Å; L1537-F1570 WeakPolarHBondContact O-CE2 3.37Å; L1537-A1574 HydrophobicContact CD2-CB 3.72Å; L1537-C1578 HydrophobicContact CD2-CB 4.15Å; L1537-C1578 HydrophobicContact CG-CB 4.5Å; L1537-W2398 HydrophobicContact CD1-CE3 4.44Å |
| 1538 | A | 89.2 | Confident | 82.9 | Confident | 45.2 Ų | 45.2 | 63.5 Ų | 63.5 | 37% | 0.374 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.4 | -40.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q1534 H1535 C1536 C1540 A1541 E1542 T2400 | Q1534-A1538 VanDerWaalsContact O-CB 3.29Å; Q1534-A1538 WeakPolarHBondContact O-CB 3.35Å; Q1534-A1538 PolarHBondContact O-N 3Å; H1535-A1538 PolarHBondContact O-N 3.18Å; C1536-A1538 VanDerWaalsContact C-N 3.31Å; C1536-A1538 PolarHBondContact O-N 3.13Å; A1538-C1540 VanDerWaalsContact C-N 3.35Å; A1538-C1540 PolarHBondContact O-N 3.34Å; A1538-A1541 WeakPolarHBondContact O-CB 3.23Å; A1538-A1541 PolarHBondContact O-N 2.93Å; A1538-A1541 VanDerWaalsContact O-N 3.16Å; A1538-E1542 PolarHBondContact O-N 3.08Å; A1538-T2400 HydrophobicContact CB-CG2 4.18Å |
| 1539 | S | 88.4 | Confident | 81.6 | Confident | 72 Ų | 72 | 66.8 Ų | 66.8 | 50% | 0.503 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.3 | -43 | 175 | -152.1 | 0 | 0 | 0 | 0 | 111.7 | H1535 C1536 L1537 A1541 E1542 E1543 | H1535-S1539 WeakPolarHBondContact O-CB 3.37Å; H1535-S1539 PolarHBondContact O-N 2.99Å; H1535-S1539 VanDerWaalsContact O-N 3.09Å; H1535-S1539 PolarHBondContact O-OG 3.35Å; C1536-S1539 WeakPolarHBondContact O-CA 3.22Å; C1536-S1539 WeakPolarHBondContact O-CB 3.22Å; C1536-S1539 PolarHBondContact O-N 3.24Å; C1536-S1539 VanDerWaalsContact O-N 3.11Å; L1537-S1539 VanDerWaalsContact C-N 3.34Å; L1537-S1539 PolarHBondContact O-N 2.71Å; S1539-A1541 VanDerWaalsContact C-N 3.32Å; S1539-A1541 PolarHBondContact O-N 3.17Å; S1539-E1542 PolarHBondContact O-N 3.05Å; S1539-E1543 WeakPolarHBondContact O-CB 3.33Å; S1539-E1543 PolarHBondContact O-N 3.05Å |
| 1540 | C | 87.8 | Confident | 80.5 | Confident | 2.6 Ų | 2.6 | 70.7 Ų | 70.7 | 2% | 0.018 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -59.8 | -42.4 | 172.6 | -86.8 | 0 | 0 | 0 | 0 | 112.4 | C1536 L1537 A1538 E1542 E1543 L1544 F1570 C1573 | C1536-C1540 PolarHBondContact O-N 3.1Å; C1536-C1540 VanDerWaalsContact O-N 3.09Å; L1537-C1540 WeakPolarHBondContact O-CB 3.44Å; L1537-C1540 PolarHBondContact O-N 3.17Å; A1538-C1540 VanDerWaalsContact C-N 3.35Å; A1538-C1540 PolarHBondContact O-N 3.34Å; C1540-E1542 VanDerWaalsContact C-N 3.31Å; C1540-E1542 PolarHBondContact O-N 3.29Å; C1540-E1543 PolarHBondContact O-N 3.19Å; C1540-L1544 WeakPolarHBondContact O-CD1 3.15Å; C1540-L1544 VanDerWaalsContact O-CG 3.29Å; C1540-L1544 WeakPolarHBondContact O-CG 3.35Å; C1540-L1544 PolarHBondContact O-N 3.08Å; C1540-L1544 VanDerWaalsContact O-N 3.13Å; C1540-F1570 HydrophobicContact CB-CD2 4.4Å; C1540-F1570 HydrophobicContact CB-CE2 4.21Å; C1540-C1573 WeakPolarHBondContact CA-SG 3.18Å; C1540-C1573 HydrophobicContact CB-CB 3.78Å; C1540-C1573 WeakPolarHBondContact CB-SG 3.33Å; C1540-C1573 WeakPolarHBondContact SG-CB 3.4Å; C1540-C1573 PolarHBondContact SG-O 3.19Å; C1540-C1573 VanDerWaalsContact SG-O 3.38Å; C1540-C1573 CovalentContact SG-SG 2.05Å; C1540-C1573 PolarHBondContact SG-SG 2.94Å |
| 1541 | A | 84.1 | Confident | 79.7 | Confident | 31.4 Ų | 31.4 | 68.4 Ų | 68.4 | 26% | 0.26 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.1 | -34.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1537 A1538 S1539 L1544 K1545 F1570 | L1537-A1541 PolarHBondContact O-N 2.98Å; A1538-A1541 WeakPolarHBondContact O-CB 3.23Å; A1538-A1541 PolarHBondContact O-N 2.93Å; A1538-A1541 VanDerWaalsContact O-N 3.16Å; S1539-A1541 VanDerWaalsContact C-N 3.32Å; S1539-A1541 PolarHBondContact O-N 3.17Å; A1541-L1544 PolarHBondContact O-N 2.76Å; A1541-K1545 WeakPolarHBondContact O-CE 3.34Å; A1541-K1545 PolarHBondContact O-N 2.85Å; A1541-F1570 HydrophobicContact CB-CD2 4.45Å; A1541-F1570 HydrophobicContact CB-CE2 4.13Å |
| 1542 | E | 82.6 | Confident | 78.6 | Confident | 107 Ų | 107 | 71 Ų | 71 | 50% | 0.5 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -75.6 | -39.8 | 173.7 | -68.8 | -57.1 | 142.6 | 0 | 0 | 112.5 | A1538 S1539 C1540 L1544 K1545 A1546 | A1538-E1542 PolarHBondContact O-N 3.08Å; S1539-E1542 PolarHBondContact O-N 3.05Å; C1540-E1542 VanDerWaalsContact C-N 3.31Å; C1540-E1542 PolarHBondContact O-N 3.29Å; E1542-L1544 VanDerWaalsContact C-N 3.31Å; E1542-L1544 PolarHBondContact O-N 3.16Å; E1542-K1545 VanDerWaalsContact O-CB 3.3Å; E1542-K1545 WeakPolarHBondContact O-CB 3.26Å; E1542-K1545 PolarHBondContact O-N 3.23Å; E1542-K1545 IonicContact OE1-NZ 3.07Å; E1542-K1545 PolarHBondContact OE1-NZ 3.07Å; E1542-K1545 WeakPolarHBondContact OE2-CD 3.39Å; E1542-K1545 WeakPolarHBondContact OE2-CE 3.33Å; E1542-K1545 IonicContact OE2-NZ 3.07Å; E1542-K1545 PolarHBondContact OE2-NZ 2.95Å; E1542-A1546 PolarHBondContact O-N 3.31Å |
| 1543 | E | 78.3 | Confident | 77.3 | Confident | 91.8 Ų | 91.8 | 70.9 Ų | 70.9 | 43% | 0.429 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.9 | -36.4 | 179.3 | -162.1 | 172.6 | -170.8 | 0 | 0 | 112.5 | S1539 C1540 K1545 A1546 S1547 | S1539-E1543 WeakPolarHBondContact O-CB 3.33Å; S1539-E1543 PolarHBondContact O-N 3.05Å; C1540-E1543 PolarHBondContact O-N 3.19Å; E1543-K1545 PolarHBondContact O-N 3.22Å; E1543-K1545 VanDerWaalsContact O-N 3.13Å; E1543-A1546 CarbonylContact O-C 3.57Å; E1543-A1546 WeakPolarHBondContact O-CA 3.42Å; E1543-A1546 PolarHBondContact O-N 3.13Å; E1543-S1547 VanDerWaalsContact CG-OG 3.25Å; E1543-S1547 WeakPolarHBondContact CG-OG 3.29Å; E1543-S1547 WeakPolarHBondContact O-CB 3.11Å; E1543-S1547 PolarHBondContact O-N 3.18Å; E1543-S1547 PolarHBondContact O-OG 3.11Å; E1543-S1547 WeakPolarHBondContact OE1-CB 3.29Å; E1543-S1547 PolarHBondContact OE1-OG 3.27Å |
| 1544 | L | 75.3 | Confident | 76 | Confident | 25.2 Ų | 25.2 | 74.2 Ų | 74.2 | 13% | 0.132 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -26.1 | 173.7 | -72.7 | 168.3 | 0 | 0 | 0 | 113.6 | C1540 A1541 E1542 A1546 S1547 C1551 P1553 C1569 F1570 | C1540-L1544 WeakPolarHBondContact O-CD1 3.15Å; C1540-L1544 VanDerWaalsContact O-CG 3.29Å; C1540-L1544 WeakPolarHBondContact O-CG 3.35Å; C1540-L1544 PolarHBondContact O-N 3.08Å; C1540-L1544 VanDerWaalsContact O-N 3.13Å; A1541-L1544 PolarHBondContact O-N 2.76Å; E1542-L1544 VanDerWaalsContact C-N 3.31Å; E1542-L1544 PolarHBondContact O-N 3.16Å; L1544-A1546 VanDerWaalsContact C-N 3.3Å; L1544-A1546 PolarHBondContact O-N 3.49Å; L1544-S1547 PolarHBondContact O-N 2.92Å; L1544-C1551 HydrophobicContact CD2-CB 4.15Å; L1544-P1553 WeakPolarHBondContact O-CD 3.37Å; L1544-C1569 HydrophobicContact CD2-CB 3.49Å; L1544-C1569 VanDerWaalsContact CD2-CB 3.49Å; L1544-F1570 HydrophobicContact CD1-CB 3.76Å; L1544-F1570 HydrophobicContact CD1-CD2 3.88Å; L1544-F1570 HydrophobicContact CD1-CG 4.33Å |
| 1545 | K | 70.1 | Confident | 74.6 | Confident | 127.6 Ų | 127.6 | 75.6 Ų | 75.6 | 56% | 0.555 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -20.8 | 174.6 | -56.1 | 174.7 | -179.6 | 172.9 | 0 | 112.1 | A1541 E1542 E1543 | A1541-K1545 WeakPolarHBondContact O-CE 3.34Å; A1541-K1545 PolarHBondContact O-N 2.85Å; E1542-K1545 VanDerWaalsContact O-CB 3.3Å; E1542-K1545 WeakPolarHBondContact O-CB 3.26Å; E1542-K1545 PolarHBondContact O-N 3.23Å; E1542-K1545 IonicContact OE1-NZ 3.07Å; E1542-K1545 PolarHBondContact OE1-NZ 3.07Å; E1542-K1545 WeakPolarHBondContact OE2-CD 3.39Å; E1542-K1545 WeakPolarHBondContact OE2-CE 3.33Å; E1542-K1545 IonicContact OE2-NZ 3.07Å; E1542-K1545 PolarHBondContact OE2-NZ 2.95Å; E1543-K1545 PolarHBondContact O-N 3.22Å; E1543-K1545 VanDerWaalsContact O-N 3.13Å |
| 1546 | A | 68 | Low | 73.1 | Confident | 87 Ų | 87 | 72 Ų | 72 | 72% | 0.719 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | -40.8 | -167.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | E1542 E1543 L1544 | E1542-A1546 PolarHBondContact O-N 3.31Å; E1543-A1546 CarbonylContact O-C 3.57Å; E1543-A1546 WeakPolarHBondContact O-CA 3.42Å; E1543-A1546 PolarHBondContact O-N 3.13Å; L1544-A1546 VanDerWaalsContact C-N 3.3Å; L1544-A1546 PolarHBondContact O-N 3.49Å |
| 1547 | S | 59.5 | Low | 71.5 | Confident | 70.2 Ų | 70.2 | 76 Ų | 76 | 49% | 0.491 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -96.5 | -18.2 | -156.3 | 83.2 | 0 | 0 | 0 | 0 | 117.3 | E1543 L1544 | E1543-S1547 VanDerWaalsContact CG-OG 3.25Å; E1543-S1547 WeakPolarHBondContact CG-OG 3.29Å; E1543-S1547 WeakPolarHBondContact O-CB 3.11Å; E1543-S1547 PolarHBondContact O-N 3.18Å; E1543-S1547 PolarHBondContact O-OG 3.11Å; E1543-S1547 WeakPolarHBondContact OE1-CB 3.29Å; E1543-S1547 PolarHBondContact OE1-OG 3.27Å; L1544-S1547 PolarHBondContact O-N 2.92Å |
| 1548 | S | 58.3 | Low | 70 | Confident | 46.4 Ų | 46.4 | 77.8 Ų | 77.8 | 32% | 0.324 | 49% | 0.491 | S | S | . | . | trans | -110.9 | 128.8 | -171.7 | 162.4 | 0 | 0 | 0 | 0 | 114.8 | T1550 C1551 K1552 | S1548-T1550 PolarHBondContact O-N 3.06Å; S1548-T1550 PolarHBondContact OG-N 2.88Å; S1548-T1550 VanDerWaalsContact OG-N 3.12Å; S1548-T1550 PolarHBondContact OG-OG1 2.89Å; S1548-C1551 PolarHBondContact O-N 3.11Å; S1548-C1551 PolarHBondContact OG-N 3.12Å; S1548-K1552 WeakPolarHBondContact O-CB 3.41Å; S1548-K1552 PolarHBondContact O-N 2.92Å | ||
| 1549 | L | 60 | Low | 68.5 | Low | 172 Ų | 172 | 78 Ų | 78 | 90% | 0.901 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -20.1 | 173.2 | -92 | 85.5 | 0 | 0 | 0 | 113.8 | ||
| 1550 | T | 65.5 | Low | 67.3 | Low | 96.6 Ų | 96.6 | 79.6 Ų | 79.6 | 59% | 0.593 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -22.6 | -178.1 | 59.8 | 0 | 0 | 0 | 0 | 113.9 | S1548 R1565 | S1548-T1550 PolarHBondContact O-N 3.06Å; S1548-T1550 PolarHBondContact OG-N 2.88Å; S1548-T1550 VanDerWaalsContact OG-N 3.12Å; S1548-T1550 PolarHBondContact OG-OG1 2.89Å; T1550-R1565 WeakPolarHBondContact O-CD 3.23Å; T1550-R1565 PolarHBondContact O-NE 2.63Å; T1550-R1565 PolarHBondContact O-NH1 2.67Å; T1550-R1565 PolarHBondContact O-NH2 3.3Å |
| 1551 | C | 68.9 | Low | 66 | Low | 17.6 Ų | 17.6 | 82.1 Ų | 82.1 | 12% | 0.119 | 52% | 0.515 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | -7.7 | 180 | -60.6 | 0 | 0 | 0 | 0 | 113.5 | L1544 S1548 R1565 L1566 C1569 | L1544-C1551 HydrophobicContact CD2-CB 4.15Å; S1548-C1551 PolarHBondContact O-N 3.11Å; S1548-C1551 PolarHBondContact OG-N 3.12Å; C1551-R1565 VanDerWaalsContact C-NH1 3.27Å; C1551-R1565 VanDerWaalsContact CA-NH1 3.34Å; C1551-L1566 WeakPolarHBondContact O-CD2 3.32Å; C1551-C1569 HydrophobicContact CB-CB 3.75Å; C1551-C1569 WeakPolarHBondContact CB-SG 3.4Å; C1551-C1569 WeakPolarHBondContact SG-CB 3.31Å; C1551-C1569 CovalentContact SG-SG 2.04Å; C1551-C1569 PolarHBondContact SG-SG 2.98Å |
| 1552 | K | 66.4 | Low | 64.9 | Low | 139.4 Ų | 139.4 | 90.2 Ų | 90.2 | 61% | 0.606 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -59.4 | 133 | 177.1 | -171.8 | 172.1 | -176.3 | 172.2 | 0 | 111.2 | S1548 T1554 R1565 | S1548-K1552 WeakPolarHBondContact O-CB 3.41Å; S1548-K1552 PolarHBondContact O-N 2.92Å; K1552-T1554 PolarHBondContact O-N 2.96Å; K1552-R1565 PolarHBondContact O-NH1 3.41Å; K1552-R1565 PolarHBondContact O-NH2 2.83Å |
| 1553 | P | 64.2 | Low | 63.9 | Low | 65.2 Ų | 65.2 | 86.2 Ų | 86.2 | 42% | 0.423 | 52% | 0.523 | S | S | . | . | trans | -56.5 | 126.7 | 172.9 | -17.3 | 23.3 | 0 | 0 | 0 | 111.3 | L1544 S1555 L1566 | L1544-P1553 WeakPolarHBondContact O-CD 3.37Å; P1553-S1555 PolarHBondContact O-N 2.68Å; P1553-L1566 HydrophobicContact CG-CD2 4.34Å | ||
| 1554 | T | 62.5 | Low | 63.4 | Low | 86.4 Ų | 86.4 | 86 Ų | 86 | 53% | 0.53 | 53% | 0.529 | S | S | . | . | trans | -91.9 | 131.3 | 178.9 | 38.9 | 0 | 0 | 0 | 0 | 110.3 | K1552 G1556 D1559 | K1552-T1554 PolarHBondContact O-N 2.96Å; T1554-G1556 PolarHBondContact O-N 3.04Å; T1554-G1556 PolarHBondContact OG1-N 3.04Å; T1554-D1559 WeakPolarHBondContact CA-OD2 3.21Å; T1554-D1559 WeakPolarHBondContact CB-OD2 3.47Å; T1554-D1559 PolarHBondContact N-OD2 2.8Å; T1554-D1559 WeakPolarHBondContact O-CB 3.29Å; T1554-D1559 PolarHBondContact OG1-OD2 3.15Å | ||
| 1555 | S | 61.1 | Low | 63.2 | Low | 116.2 Ų | 116.2 | 91 Ų | 91 | 81% | 0.813 | 55% | 0.546 | S | S | * | . | trans | -75.5 | 36.5 | 178.6 | 61 | 0 | 0 | 0 | 0 | 113.5 | P1553 | P1553-S1555 PolarHBondContact O-N 2.68Š| ||
| 1556 | G | 61 | Low | 63.4 | Low | 41.2 Ų | 41.2 | 87.3 Ų | 87.3 | 43% | 0.425 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -83.5 | 146.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | T1554 A1558 D1559 | T1554-G1556 PolarHBondContact O-N 3.04Å; T1554-G1556 PolarHBondContact OG1-N 3.04Å; G1556-A1558 PolarHBondContact O-N 3.12Å; G1556-D1559 PolarHBondContact O-N 3.07Å; G1556-D1559 VanDerWaalsContact O-N 3.13Å |
| 1557 | A | 59.5 | Low | 63.9 | Low | 107.6 Ų | 107.6 | 89 Ų | 89 | 89% | 0.889 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | 6 | -176 | 0 | 0 | 0 | 0 | 0 | 115.5 | N1560 | A1557-N1560 PolarHBondContact O-ND2 2.96Å; A1557-N1560 PolarHBondContact O-OD1 3.39Å |
| 1558 | A | 58.8 | Low | 64.9 | Low | 86.2 Ų | 86.2 | 89.5 Ų | 89.5 | 71% | 0.712 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.5 | -6.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | G1556 N1560 S1563 | G1556-A1558 PolarHBondContact O-N 3.12Å; A1558-N1560 VanDerWaalsContact C-N 3.31Å; A1558-N1560 PolarHBondContact O-N 3.2Å; A1558-S1563 WeakPolarHBondContact O-CB 3.48Å; A1558-S1563 PolarHBondContact O-N 2.86Å |
| 1559 | D | 58 | Low | 66 | Low | 48.6 Ų | 48.6 | 88.3 Ų | 88.3 | 26% | 0.26 | 52% | 0.517 | S | S | . | . | trans | -88.2 | 83 | -176.5 | -134 | -17.5 | 0 | 0 | 0 | 110.7 | T1554 G1556 G1561 S1563 R1565 L1566 | T1554-D1559 WeakPolarHBondContact CA-OD2 3.21Å; T1554-D1559 WeakPolarHBondContact CB-OD2 3.47Å; T1554-D1559 PolarHBondContact N-OD2 2.8Å; T1554-D1559 WeakPolarHBondContact O-CB 3.29Å; T1554-D1559 PolarHBondContact OG1-OD2 3.15Å; G1556-D1559 PolarHBondContact O-N 3.07Å; G1556-D1559 VanDerWaalsContact O-N 3.13Å; D1559-G1561 PolarHBondContact O-N 2.98Å; D1559-G1561 PolarHBondContact OD1-N 3.2Å; D1559-G1561 VanDerWaalsContact OD1-N 3.11Å; D1559-S1563 WeakPolarHBondContact OD1-CB 3.2Å; D1559-S1563 PolarHBondContact OD1-OG 3.49Å; D1559-R1565 IonicContact OD1-CZ 3.98Å; D1559-R1565 IonicContact OD1-NE 3.53Å; D1559-R1565 PolarHBondContact OD1-NE 2.87Å; D1559-R1565 IonicContact OD1-NH2 2.8Å; D1559-R1565 PolarHBondContact OD1-NH2 3.02Å; D1559-R1565 IonicContact OD2-CZ 3.97Å; D1559-R1565 IonicContact OD2-NH2 3.29Å; D1559-R1565 PolarHBondContact OD2-NH2 3.12Å; D1559-L1566 HydrophobicContact CB-CD1 3.98Å | ||
| 1560 | N | 63.7 | Low | 67.2 | Low | 105.2 Ų | 105.2 | 83 Ų | 83 | 56% | 0.563 | 49% | 0.487 | S | S | * | . | trans | -77.7 | 22 | -176.3 | 61.2 | -8.7 | 0 | 0 | 0 | 113.9 | A1557 A1558 R1562 | A1557-N1560 PolarHBondContact O-ND2 2.96Å; A1557-N1560 PolarHBondContact O-OD1 3.39Å; A1558-N1560 VanDerWaalsContact C-N 3.31Å; A1558-N1560 PolarHBondContact O-N 3.2Å; N1560-R1562 PolarHBondContact O-N 3.21Å; N1560-R1562 VanDerWaalsContact O-N 3.17Å; N1560-R1562 WeakPolarHBondContact OD1-CA 3.27Å; N1560-R1562 WeakPolarHBondContact OD1-CB 3.32Å; N1560-R1562 WeakPolarHBondContact OD1-CG 3.43Å; N1560-R1562 PolarHBondContact OD1-N 3.09Å; N1560-R1562 VanDerWaalsContact OD1-N 3.07Å; N1560-R1562 PolarHBondContact OD1-O 3.22Å | ||
| 1561 | G | 60 | Low | 68.2 | Low | 54.6 Ų | 54.6 | 82.7 Ų | 82.7 | 56% | 0.563 | 48% | 0.482 | S | S | * | . | S | Bend | trans | 75.4 | 0.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | D1559 | D1559-G1561 PolarHBondContact O-N 2.98Å; D1559-G1561 PolarHBondContact OD1-N 3.2Å; D1559-G1561 VanDerWaalsContact OD1-N 3.11Å |
| 1562 | R | 60 | Low | 69 | Low | 201.6 Ų | 201.6 | 84.4 Ų | 84.4 | 76% | 0.761 | 49% | 0.493 | S | S | * | . | trans | -115.5 | 42.1 | -177.3 | -141.1 | -179.1 | -176.5 | 172.4 | 2.5 | 111.2 | N1560 P1564 | N1560-R1562 PolarHBondContact O-N 3.21Å; N1560-R1562 VanDerWaalsContact O-N 3.17Å; N1560-R1562 WeakPolarHBondContact OD1-CA 3.27Å; N1560-R1562 WeakPolarHBondContact OD1-CB 3.32Å; N1560-R1562 WeakPolarHBondContact OD1-CG 3.43Å; N1560-R1562 PolarHBondContact OD1-N 3.09Å; N1560-R1562 VanDerWaalsContact OD1-N 3.07Å; N1560-R1562 PolarHBondContact OD1-O 3.22Å; R1562-P1564 WeakPolarHBondContact O-CD 3.31Å | ||
| 1563 | S | 62 | Low | 70 | Confident | 23.8 Ų | 23.8 | 78.6 Ų | 78.6 | 17% | 0.166 | 47% | 0.47 | C | S | . | . | trans | -78 | 128.1 | 177.5 | 112.5 | 0 | 0 | 0 | 0 | 110.5 | A1558 D1559 R1565 L1566 | A1558-S1563 WeakPolarHBondContact O-CB 3.48Å; A1558-S1563 PolarHBondContact O-N 2.86Å; D1559-S1563 WeakPolarHBondContact OD1-CB 3.2Å; D1559-S1563 PolarHBondContact OD1-OG 3.49Å; S1563-R1565 PolarHBondContact O-N 3.11Å; S1563-R1565 WeakPolarHBondContact OG-CB 3.44Å; S1563-R1565 WeakPolarHBondContact OG-CG 3.41Å; S1563-R1565 PolarHBondContact OG-N 3.23Å; S1563-L1566 WeakPolarHBondContact O-CB 3.36Å; S1563-L1566 PolarHBondContact O-N 2.97Å; S1563-L1566 PolarHBondContact OG-N 2.98Å | ||
| 1564 | P | 67.6 | Low | 71.2 | Confident | 87.8 Ų | 87.8 | 76.3 Ų | 76.3 | 57% | 0.57 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -63.3 | -10.2 | 173.6 | -4.5 | 8.8 | 0 | 0 | 0 | 113.2 | R1562 L1566 E1567 T1568 | R1562-P1564 WeakPolarHBondContact O-CD 3.31Å; P1564-L1566 VanDerWaalsContact C-N 3.32Å; P1564-E1567 WeakPolarHBondContact O-CB 3.32Å; P1564-E1567 PolarHBondContact O-N 2.91Å; P1564-T1568 WeakPolarHBondContact O-CB 3.3Å; P1564-T1568 PolarHBondContact O-N 3.09Å; P1564-T1568 PolarHBondContact O-OG1 3.07Å; P1564-T1568 VanDerWaalsContact O-OG1 3.08Å |
| 1565 | R | 71.6 | Confident | 72.4 | Confident | 130.8 Ų | 130.8 | 80 Ų | 80 | 49% | 0.494 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.2 | -37.2 | 175.4 | -74.9 | 179.3 | 73.3 | 137.2 | 0.2 | 112.5 | T1550 C1551 K1552 D1559 S1563 E1567 T1568 C1569 | T1550-R1565 WeakPolarHBondContact O-CD 3.23Å; T1550-R1565 PolarHBondContact O-NE 2.63Å; T1550-R1565 PolarHBondContact O-NH1 2.67Å; T1550-R1565 PolarHBondContact O-NH2 3.3Å; C1551-R1565 VanDerWaalsContact C-NH1 3.27Å; C1551-R1565 VanDerWaalsContact CA-NH1 3.34Å; K1552-R1565 PolarHBondContact O-NH1 3.41Å; K1552-R1565 PolarHBondContact O-NH2 2.83Å; D1559-R1565 IonicContact OD1-CZ 3.98Å; D1559-R1565 IonicContact OD1-NE 3.53Å; D1559-R1565 PolarHBondContact OD1-NE 2.87Å; D1559-R1565 IonicContact OD1-NH2 2.8Å; D1559-R1565 PolarHBondContact OD1-NH2 3.02Å; D1559-R1565 IonicContact OD2-CZ 3.97Å; D1559-R1565 IonicContact OD2-NH2 3.29Å; D1559-R1565 PolarHBondContact OD2-NH2 3.12Å; S1563-R1565 PolarHBondContact O-N 3.11Å; S1563-R1565 WeakPolarHBondContact OG-CB 3.44Å; S1563-R1565 WeakPolarHBondContact OG-CG 3.41Å; S1563-R1565 PolarHBondContact OG-N 3.23Å; R1565-E1567 VanDerWaalsContact C-N 3.32Å; R1565-E1567 PolarHBondContact O-N 3.27Å; R1565-T1568 PolarHBondContact O-N 3.19Å; R1565-C1569 VanDerWaalsContact O-CB 3.26Å; R1565-C1569 WeakPolarHBondContact O-CB 3.3Å; R1565-C1569 PolarHBondContact O-N 3.2Å; R1565-C1569 PolarHBondContact O-SG 3.19Å |
| 1566 | L | 75.4 | Confident | 73.6 | Confident | 48.4 Ų | 48.4 | 79.6 Ų | 79.6 | 25% | 0.253 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -67.7 | -41.7 | 178.4 | -81.2 | 160.3 | 0 | 0 | 0 | 111.4 | C1551 P1553 D1559 S1563 P1564 C1569 F1570 | C1551-L1566 WeakPolarHBondContact O-CD2 3.32Å; P1553-L1566 HydrophobicContact CG-CD2 4.34Å; D1559-L1566 HydrophobicContact CB-CD1 3.98Å; S1563-L1566 WeakPolarHBondContact O-CB 3.36Å; S1563-L1566 PolarHBondContact O-N 2.97Å; S1563-L1566 PolarHBondContact OG-N 2.98Å; P1564-L1566 VanDerWaalsContact C-N 3.32Å; L1566-C1569 PolarHBondContact O-N 3.12Å; L1566-F1570 VanDerWaalsContact O-CB 3.31Å; L1566-F1570 WeakPolarHBondContact O-CB 3.38Å; L1566-F1570 PolarHBondContact O-N 3.14Å |
| 1567 | E | 76.9 | Confident | 74.8 | Confident | 123 Ų | 123 | 82.1 Ų | 82.1 | 58% | 0.575 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -59.2 | -52.4 | 172.3 | -173 | 173 | -170.9 | 0 | 0 | 110.3 | P1564 R1565 C1569 F1570 D1571 | P1564-E1567 WeakPolarHBondContact O-CB 3.32Å; P1564-E1567 PolarHBondContact O-N 2.91Å; R1565-E1567 VanDerWaalsContact C-N 3.32Å; R1565-E1567 PolarHBondContact O-N 3.27Å; E1567-C1569 VanDerWaalsContact C-N 3.33Å; E1567-C1569 PolarHBondContact O-N 3.18Å; E1567-F1570 WeakPolarHBondContact O-CB 3.35Å; E1567-F1570 PolarHBondContact O-N 3Å; E1567-F1570 VanDerWaalsContact O-N 3.12Å; E1567-D1571 WeakPolarHBondContact O-CB 3.33Å; E1567-D1571 VanDerWaalsContact O-CG 3.23Å; E1567-D1571 PolarHBondContact O-N 3.12Å |
| 1568 | T | 80.9 | Confident | 76.4 | Confident | 81.4 Ų | 81.4 | 77 Ų | 77 | 50% | 0.499 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.3 | -41.7 | 177.2 | -48.6 | 0 | 0 | 0 | 0 | 112.7 | P1564 R1565 F1570 D1571 C1572 | P1564-T1568 WeakPolarHBondContact O-CB 3.3Å; P1564-T1568 PolarHBondContact O-N 3.09Å; P1564-T1568 PolarHBondContact O-OG1 3.07Å; P1564-T1568 VanDerWaalsContact O-OG1 3.08Å; R1565-T1568 PolarHBondContact O-N 3.19Å; T1568-F1570 VanDerWaalsContact C-N 3.35Å; T1568-F1570 PolarHBondContact O-N 3.1Å; T1568-D1571 PolarHBondContact O-N 2.03Å; T1568-C1572 WeakPolarHBondContact O-CB 3.37Å; T1568-C1572 PolarHBondContact O-N 3.14Å; T1568-C1572 PolarHBondContact O-SG 3.08Å; T1568-C1572 VanDerWaalsContact O-SG 3.35Å |
| 1569 | C | 81.6 | Confident | 77.8 | Confident | 21.2 Ų | 21.2 | 75.3 Ų | 75.3 | 14% | 0.143 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -70.9 | -35 | 178.9 | -69.7 | 0 | 0 | 0 | 0 | 112.2 | L1544 C1551 R1565 L1566 E1567 C1572 C1573 | L1544-C1569 HydrophobicContact CD2-CB 3.49Å; L1544-C1569 VanDerWaalsContact CD2-CB 3.49Å; C1551-C1569 HydrophobicContact CB-CB 3.75Å; C1551-C1569 WeakPolarHBondContact CB-SG 3.4Å; C1551-C1569 WeakPolarHBondContact SG-CB 3.31Å; C1551-C1569 CovalentContact SG-SG 2.04Å; C1551-C1569 PolarHBondContact SG-SG 2.98Å; R1565-C1569 VanDerWaalsContact O-CB 3.26Å; R1565-C1569 WeakPolarHBondContact O-CB 3.3Å; R1565-C1569 PolarHBondContact O-N 3.2Å; R1565-C1569 PolarHBondContact O-SG 3.19Å; L1566-C1569 PolarHBondContact O-N 3.12Å; E1567-C1569 VanDerWaalsContact C-N 3.33Å; E1567-C1569 PolarHBondContact O-N 3.18Å; C1569-C1572 PolarHBondContact O-N 3.48Å; C1569-C1573 WeakPolarHBondContact O-CB 3.39Å; C1569-C1573 PolarHBondContact O-N 3.25Å |
| 1570 | F | 86.1 | Confident | 79.3 | Confident | 59.4 Ų | 59.4 | 79.2 Ų | 79.2 | 26% | 0.261 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.8 | -45.5 | 172.8 | -177.5 | -97.4 | 0 | 0 | 0 | 111.4 | L1537 C1540 A1541 L1544 L1566 E1567 T1568 C1572 C1573 A1574 | L1537-F1570 HydrophobicContact CB-CZ 4.33Å; L1537-F1570 HydrophobicContact CD2-CE1 4.47Å; L1537-F1570 HydrophobicContact CD2-CZ 4.12Å; L1537-F1570 WeakPolarHBondContact O-CE2 3.37Å; C1540-F1570 HydrophobicContact CB-CD2 4.4Å; C1540-F1570 HydrophobicContact CB-CE2 4.21Å; A1541-F1570 HydrophobicContact CB-CD2 4.45Å; A1541-F1570 HydrophobicContact CB-CE2 4.13Å; L1544-F1570 HydrophobicContact CD1-CB 3.76Å; L1544-F1570 HydrophobicContact CD1-CD2 3.88Å; L1544-F1570 HydrophobicContact CD1-CG 4.33Å; L1566-F1570 VanDerWaalsContact O-CB 3.31Å; L1566-F1570 WeakPolarHBondContact O-CB 3.38Å; L1566-F1570 PolarHBondContact O-N 3.14Å; E1567-F1570 WeakPolarHBondContact O-CB 3.35Å; E1567-F1570 PolarHBondContact O-N 3Å; E1567-F1570 VanDerWaalsContact O-N 3.12Å; T1568-F1570 VanDerWaalsContact C-N 3.35Å; T1568-F1570 PolarHBondContact O-N 3.1Å; F1570-C1572 VanDerWaalsContact C-N 3.33Å; F1570-C1572 PolarHBondContact O-N 3.05Å; F1570-C1573 PolarHBondContact O-N 3.2Å; F1570-A1574 HydrophobicContact CE1-CB 4.44Å; F1570-A1574 VanDerWaalsContact O-CB 3.29Å; F1570-A1574 WeakPolarHBondContact O-CB 3.35Å; F1570-A1574 PolarHBondContact O-N 2.97Å |
| 1571 | D | 85.3 | Confident | 80.5 | Confident | 91.6 Ų | 91.6 | 76.1 Ų | 76.1 | 49% | 0.49 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 176.2 | -71.4 | -14.3 | 0 | 0 | 0 | 111.7 | E1567 T1568 R1575 | E1567-D1571 WeakPolarHBondContact O-CB 3.33Å; E1567-D1571 VanDerWaalsContact O-CG 3.23Å; E1567-D1571 PolarHBondContact O-N 3.12Å; T1568-D1571 PolarHBondContact O-N 2.03Å; D1571-R1575 WeakPolarHBondContact O-CB 3.27Å; D1571-R1575 PolarHBondContact O-N 3.06Å |
| 1572 | C | 86.6 | Confident | 81.9 | Confident | 52.4 Ų | 52.4 | 74.7 Ų | 74.7 | 35% | 0.354 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 172.9 | -73.3 | 0 | 0 | 0 | 0 | 111.8 | T1568 C1569 F1570 A1574 R1575 D1576 | T1568-C1572 WeakPolarHBondContact O-CB 3.37Å; T1568-C1572 PolarHBondContact O-N 3.14Å; T1568-C1572 PolarHBondContact O-SG 3.08Å; T1568-C1572 VanDerWaalsContact O-SG 3.35Å; C1569-C1572 PolarHBondContact O-N 3.48Å; F1570-C1572 VanDerWaalsContact C-N 3.33Å; F1570-C1572 PolarHBondContact O-N 3.05Å; C1572-A1574 PolarHBondContact O-N 3.46Å; C1572-R1575 PolarHBondContact O-N 3.09Å; C1572-D1576 VanDerWaalsContact O-CB 3.24Å; C1572-D1576 WeakPolarHBondContact O-CB 3.33Å; C1572-D1576 VanDerWaalsContact O-CG 3.31Å; C1572-D1576 PolarHBondContact O-N 2.93Å |
| 1573 | C | 87.4 | Confident | 83.2 | Confident | 18 Ų | 18 | 69.6 Ų | 69.6 | 12% | 0.122 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 178.1 | -172.4 | 0 | 0 | 0 | 0 | 112 | C1540 C1569 F1570 R1575 D1576 N1577 | C1540-C1573 WeakPolarHBondContact CA-SG 3.18Å; C1540-C1573 HydrophobicContact CB-CB 3.78Å; C1540-C1573 WeakPolarHBondContact CB-SG 3.33Å; C1540-C1573 WeakPolarHBondContact SG-CB 3.4Å; C1540-C1573 PolarHBondContact SG-O 3.19Å; C1540-C1573 VanDerWaalsContact SG-O 3.38Å; C1540-C1573 CovalentContact SG-SG 2.05Å; C1540-C1573 PolarHBondContact SG-SG 2.94Å; C1569-C1573 WeakPolarHBondContact O-CB 3.39Å; C1569-C1573 PolarHBondContact O-N 3.25Å; F1570-C1573 PolarHBondContact O-N 3.2Å; C1573-R1575 VanDerWaalsContact C-N 3.32Å; C1573-R1575 PolarHBondContact O-N 3.02Å; C1573-D1576 PolarHBondContact O-N 2.98Å; C1573-N1577 VanDerWaalsContact O-CB 3.31Å; C1573-N1577 WeakPolarHBondContact O-CB 3.41Å; C1573-N1577 PolarHBondContact O-N 3.19Å |
| 1574 | A | 88.5 | Confident | 84.4 | Confident | 17.8 Ų | 17.8 | 73.3 Ų | 73.3 | 15% | 0.147 | 38% | 0.38 | C | S | . | . | I | π-helix | trans | -62.2 | -41 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1537 F1570 C1572 C1578 T1579 | L1537-A1574 HydrophobicContact CD2-CB 3.72Å; F1570-A1574 HydrophobicContact CE1-CB 4.44Å; F1570-A1574 VanDerWaalsContact O-CB 3.29Å; F1570-A1574 WeakPolarHBondContact O-CB 3.35Å; F1570-A1574 PolarHBondContact O-N 2.97Å; C1572-A1574 PolarHBondContact O-N 3.46Å; A1574-C1578 CarbonylContact O-C 3.47Å; A1574-C1578 VanDerWaalsContact O-CA 3.25Å; A1574-C1578 WeakPolarHBondContact O-CA 3.32Å; A1574-C1578 VanDerWaalsContact O-CB 3.27Å; A1574-C1578 WeakPolarHBondContact O-CB 3.33Å; A1574-C1578 PolarHBondContact O-N 2.92Å; A1574-T1579 PolarHBondContact O-N 2.91Å; A1574-T1579 VanDerWaalsContact O-N 3.13Å; A1574-T1579 PolarHBondContact O-OG1 2.79Å |
| 1575 | R | 87.6 | Confident | 85.2 | Confident | 163 Ų | 163 | 71.5 Ų | 71.5 | 62% | 0.615 | 36% | 0.362 | S | S | * | . | I | π-helix | trans | -68.6 | -43.1 | 176.9 | -172.4 | -172.4 | 64.3 | -170.7 | -6.3 | 112.5 | D1571 C1572 C1573 T1579 | D1571-R1575 WeakPolarHBondContact O-CB 3.27Å; D1571-R1575 PolarHBondContact O-N 3.06Å; C1572-R1575 PolarHBondContact O-N 3.09Å; C1573-R1575 VanDerWaalsContact C-N 3.32Å; C1573-R1575 PolarHBondContact O-N 3.02Å; R1575-T1579 VanDerWaalsContact C-OG1 3.31Å; R1575-T1579 VanDerWaalsContact CA-OG1 3.28Å; R1575-T1579 WeakPolarHBondContact CA-OG1 3.35Å; R1575-T1579 WeakPolarHBondContact O-CB 3.33Å; R1575-T1579 PolarHBondContact O-OG1 3.16Å |
| 1576 | D | 86.6 | Confident | 85.6 | Confident | 107.8 Ų | 107.8 | 69.3 Ų | 69.3 | 58% | 0.576 | 37% | 0.365 | S | S | * | . | I | π-helix | trans | -83.3 | -31.9 | -171.7 | -62.8 | -13.1 | 0 | 0 | 0 | 112.1 | C1572 C1573 | C1572-D1576 VanDerWaalsContact O-CB 3.24Å; C1572-D1576 WeakPolarHBondContact O-CB 3.33Å; C1572-D1576 VanDerWaalsContact O-CG 3.31Å; C1572-D1576 PolarHBondContact O-N 2.93Å; C1573-D1576 PolarHBondContact O-N 2.98Å |
| 1577 | N | 87.8 | Confident | 85.9 | Confident | 94.2 Ų | 94.2 | 71.1 Ų | 71.1 | 50% | 0.504 | 38% | 0.381 | S | S | . | . | I | π-helix | trans | -107.8 | -32 | -178.6 | -68.6 | -17.8 | 0 | 0 | 0 | 114.6 | C1573 | C1573-N1577 VanDerWaalsContact O-CB 3.31Å; C1573-N1577 WeakPolarHBondContact O-CB 3.41Å; C1573-N1577 PolarHBondContact O-N 3.19Å |
| 1578 | C | 91.7 | Very high | 86 | Confident | 1.2 Ų | 1.2 | 69.7 Ų | 69.7 | 1% | 0.008 | 38% | 0.375 | C | S | . | . | I | π-helix | trans | -108.1 | -13.3 | -167.9 | -58.6 | 0 | 0 | 0 | 0 | 115.7 | C1536 L1537 A1574 D1580 V1581 C1582 | C1536-C1578 HydrophobicContact CB-CB 3.9Å; C1536-C1578 WeakPolarHBondContact CB-SG 3.31Å; C1536-C1578 PolarHBondContact O-SG 3.25Å; C1536-C1578 VanDerWaalsContact O-SG 3.41Å; C1536-C1578 WeakPolarHBondContact SG-CA 3.26Å; C1536-C1578 WeakPolarHBondContact SG-CB 3.26Å; C1536-C1578 CovalentContact SG-SG 2.05Å; C1536-C1578 PolarHBondContact SG-SG 3.03Å; L1537-C1578 HydrophobicContact CD2-CB 4.15Å; L1537-C1578 HydrophobicContact CG-CB 4.5Å; A1574-C1578 CarbonylContact O-C 3.47Å; A1574-C1578 VanDerWaalsContact O-CA 3.25Å; A1574-C1578 WeakPolarHBondContact O-CA 3.32Å; A1574-C1578 VanDerWaalsContact O-CB 3.27Å; A1574-C1578 WeakPolarHBondContact O-CB 3.33Å; A1574-C1578 PolarHBondContact O-N 2.92Å; C1578-D1580 VanDerWaalsContact C-N 3.34Å; C1578-D1580 PolarHBondContact O-N 3.13Å; C1578-V1581 WeakPolarHBondContact O-CB 3.44Å; C1578-V1581 PolarHBondContact O-N 3.24Å; C1578-V1581 VanDerWaalsContact O-N 3.11Å; C1578-C1582 VanDerWaalsContact O-CB 3.28Å; C1578-C1582 WeakPolarHBondContact O-CB 3.3Å; C1578-C1582 PolarHBondContact O-N 3.08Å; C1578-C1582 PolarHBondContact O-SG 3.18Å |
| 1579 | T | 89.7 | Confident | 85.9 | Confident | 49.2 Ų | 49.2 | 75.1 Ų | 75.1 | 30% | 0.302 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -52.6 | -52.3 | 177.6 | -62.8 | 0 | 0 | 0 | 0 | 111.8 | A1574 R1575 V1581 C1582 D1583 | A1574-T1579 PolarHBondContact O-N 2.91Å; A1574-T1579 VanDerWaalsContact O-N 3.13Å; A1574-T1579 PolarHBondContact O-OG1 2.79Å; R1575-T1579 VanDerWaalsContact C-OG1 3.31Å; R1575-T1579 VanDerWaalsContact CA-OG1 3.28Å; R1575-T1579 WeakPolarHBondContact CA-OG1 3.35Å; R1575-T1579 WeakPolarHBondContact O-CB 3.33Å; R1575-T1579 PolarHBondContact O-OG1 3.16Å; T1579-V1581 VanDerWaalsContact C-N 3.29Å; T1579-V1581 PolarHBondContact O-N 2.88Å; T1579-C1582 PolarHBondContact O-N 3.2Å; T1579-C1582 VanDerWaalsContact O-N 3.17Å; T1579-D1583 VanDerWaalsContact CG2-OD2 3.26Å; T1579-D1583 WeakPolarHBondContact CG2-OD2 3.32Å; T1579-D1583 VanDerWaalsContact O-CB 3.3Å; T1579-D1583 WeakPolarHBondContact O-CB 3.35Å; T1579-D1583 VanDerWaalsContact O-CG 3.24Å; T1579-D1583 PolarHBondContact O-N 3.16Å |
| 1580 | D | 87.7 | Confident | 85.8 | Confident | 130.8 Ų | 130.8 | 75 Ų | 75 | 70% | 0.699 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -61.4 | -23 | 179.3 | -78.8 | 6.6 | 0 | 0 | 0 | 114.2 | C1578 K1584 | C1578-D1580 VanDerWaalsContact C-N 3.34Å; C1578-D1580 PolarHBondContact O-N 3.13Å; D1580-K1584 WeakPolarHBondContact O-CD 3.29Å; D1580-K1584 VanDerWaalsContact O-CE 3.26Å; D1580-K1584 WeakPolarHBondContact O-CE 3.37Å; D1580-K1584 WeakPolarHBondContact O-CG 3.39Å; D1580-K1584 PolarHBondContact O-NZ 3.31Å |
| 1581 | V | 89.6 | Confident | 85.4 | Confident | 40.6 Ų | 40.6 | 78 Ų | 78 | 25% | 0.246 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -86.9 | -47.4 | 177.2 | -175.6 | 0 | 0 | 0 | 0 | 110.1 | D1532 C1533 C1536 C1578 T1579 K1584 | D1532-V1581 HydrophobicContact CB-CG1 4Å; C1533-V1581 HydrophobicContact CB-CG1 4.49Å; C1536-V1581 HydrophobicContact CB-CB 4.38Å; C1536-V1581 HydrophobicContact CB-CG1 4.3Å; C1536-V1581 HydrophobicContact CB-CG2 4.4Å; C1578-V1581 WeakPolarHBondContact O-CB 3.44Å; C1578-V1581 PolarHBondContact O-N 3.24Å; C1578-V1581 VanDerWaalsContact O-N 3.11Å; T1579-V1581 VanDerWaalsContact C-N 3.29Å; T1579-V1581 PolarHBondContact O-N 2.88Å; V1581-K1584 WeakPolarHBondContact O-CB 3.32Å; V1581-K1584 PolarHBondContact O-N 2.74Å |
| 1582 | C | 89.5 | Confident | 85 | Confident | 24.6 Ų | 24.6 | 77.2 Ų | 77.2 | 17% | 0.166 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -75.4 | -33.5 | -174.5 | -66.9 | 0 | 0 | 0 | 0 | 113.3 | C1533 C1578 T1579 K1584 Y1585 P1586 | C1533-C1582 VanDerWaalsContact CA-SG 3.57Å; C1533-C1582 HydrophobicContact CB-CB 3.98Å; C1533-C1582 WeakPolarHBondContact CB-SG 3.35Å; C1533-C1582 VanDerWaalsContact SG-CA 3.53Å; C1533-C1582 WeakPolarHBondContact SG-CB 3.39Å; C1533-C1582 CovalentContact SG-SG 2.04Å; C1533-C1582 PolarHBondContact SG-SG 3.08Å; C1578-C1582 VanDerWaalsContact O-CB 3.28Å; C1578-C1582 WeakPolarHBondContact O-CB 3.3Å; C1578-C1582 PolarHBondContact O-N 3.08Å; C1578-C1582 PolarHBondContact O-SG 3.18Å; T1579-C1582 PolarHBondContact O-N 3.2Å; T1579-C1582 VanDerWaalsContact O-N 3.17Å; C1582-K1584 PolarHBondContact O-N 3.15Å; C1582-K1584 VanDerWaalsContact O-N 3.14Å; C1582-Y1585 WeakPolarHBondContact O-CB 3.37Å; C1582-Y1585 PolarHBondContact O-N 3.06Å; C1582-Y1585 VanDerWaalsContact O-N 3.15Å; C1582-P1586 VanDerWaalsContact O-CD 3.27Å; C1582-P1586 WeakPolarHBondContact O-CD 3.34Å |
| 1583 | D | 87.8 | Confident | 84.6 | Confident | 94.8 Ų | 94.8 | 76.5 Ų | 76.5 | 51% | 0.507 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -16.8 | 178 | -79.1 | -5.3 | 0 | 0 | 0 | 113.4 | T1579 Y1585 P1586 S1587 | T1579-D1583 VanDerWaalsContact CG2-OD2 3.26Å; T1579-D1583 WeakPolarHBondContact CG2-OD2 3.32Å; T1579-D1583 VanDerWaalsContact O-CB 3.3Å; T1579-D1583 WeakPolarHBondContact O-CB 3.35Å; T1579-D1583 VanDerWaalsContact O-CG 3.24Å; T1579-D1583 PolarHBondContact O-N 3.16Å; D1583-Y1585 VanDerWaalsContact C-N 3.31Å; D1583-Y1585 PolarHBondContact O-N 2.99Å; D1583-P1586 VanDerWaalsContact O-CD 3.29Å; D1583-P1586 WeakPolarHBondContact O-CD 3.36Å; D1583-P1586 WeakPolarHBondContact O-CG 3.42Å; D1583-S1587 WeakPolarHBondContact O-CB 3.31Å; D1583-S1587 PolarHBondContact O-N 3.2Å; D1583-S1587 PolarHBondContact O-OG 3.03Å |
| 1584 | K | 86.7 | Confident | 84.3 | Confident | 101 Ų | 101 | 80 Ų | 80 | 44% | 0.439 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.1 | -35.2 | 172.5 | -67.6 | 172.9 | 178.6 | 142 | 0 | 111.9 | L1529 D1580 V1581 C1582 S1587 H1588 | L1529-K1584 HydrophobicContact CD1-CB 4.36Å; L1529-K1584 HydrophobicContact CD2-CB 3.79Å; L1529-K1584 HydrophobicContact CD2-CD 4.27Å; D1580-K1584 WeakPolarHBondContact O-CD 3.29Å; D1580-K1584 VanDerWaalsContact O-CE 3.26Å; D1580-K1584 WeakPolarHBondContact O-CE 3.37Å; D1580-K1584 WeakPolarHBondContact O-CG 3.39Å; D1580-K1584 PolarHBondContact O-NZ 3.31Å; V1581-K1584 WeakPolarHBondContact O-CB 3.32Å; V1581-K1584 PolarHBondContact O-N 2.74Å; C1582-K1584 PolarHBondContact O-N 3.15Å; C1582-K1584 VanDerWaalsContact O-N 3.14Å; K1584-S1587 VanDerWaalsContact CA-OG 3.31Å; K1584-S1587 WeakPolarHBondContact CA-OG 3.33Å; K1584-S1587 PolarHBondContact O-N 3.14Å; K1584-S1587 PolarHBondContact O-OG 3.2Å; K1584-H1588 WeakPolarHBondContact O-CB 3.28Å; K1584-H1588 PolarHBondContact O-CD2 3.19Å; K1584-H1588 VanDerWaalsContact O-CD2 3.25Å; K1584-H1588 PolarHBondContact O-N 3.03Å; K1584-H1588 VanDerWaalsContact O-N 3.16Å |
| 1585 | Y | 83.7 | Confident | 84 | Confident | 49.8 Ų | 49.8 | 79.3 Ų | 79.3 | 20% | 0.195 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.5 | -53.4 | -178.9 | -175.3 | -93.3 | 0 | 0 | 0 | 113.6 | E1521 C1526 L1529 K1530 C1582 D1583 S1587 H1588 C1590 V1592 W2398 | E1521-Y1585 HydrophobicContact CG-CE2 4.43Å; C1526-Y1585 HydrophobicContact CB-CE2 4.25Å; C1526-Y1585 WeakPolarHBondContact O-CE2 3.44Å; L1529-Y1585 HydrophobicContact CB-CD2 4.25Å; K1530-Y1585 HydrophobicContact CB-CD2 3.96Å; K1530-Y1585 HydrophobicContact CB-CE2 3.81Å; K1530-Y1585 HydrophobicContact CG-CE2 4.31Å; C1582-Y1585 WeakPolarHBondContact O-CB 3.37Å; C1582-Y1585 PolarHBondContact O-N 3.06Å; C1582-Y1585 VanDerWaalsContact O-N 3.15Å; D1583-Y1585 VanDerWaalsContact C-N 3.31Å; D1583-Y1585 PolarHBondContact O-N 2.99Å; Y1585-S1587 VanDerWaalsContact C-N 3.31Å; Y1585-S1587 PolarHBondContact O-N 3Å; Y1585-H1588 PolarHBondContact O-N 3.12Å; Y1585-C1590 HydrophobicContact CD1-CB 4.25Å; Y1585-C1590 HydrophobicContact CD2-CB 4.04Å; Y1585-C1590 HydrophobicContact CE1-CB 4.02Å; Y1585-C1590 HydrophobicContact CE2-CB 3.67Å; Y1585-C1590 HydrophobicContact CG-CB 4.28Å; Y1585-C1590 WeakPolarHBondContact O-CB 3.35Å; Y1585-C1590 PolarHBondContact O-SG 3.01Å; Y1585-C1590 VanDerWaalsContact O-SG 3.42Å; Y1585-V1592 WeakPolarHBondContact OH-CG1 3.21Å; Y1585-W2398 HydrophobicContact CD1-CZ2 4.14Å; Y1585-W2398 HydrophobicContact CE1-CZ2 4.37Å |
| 1586 | P | 81.2 | Confident | 83.8 | Confident | 85.6 Ų | 85.6 | 73.1 Ų | 73.1 | 56% | 0.556 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -67.3 | -34.8 | 175.7 | 25.9 | -33.4 | 0 | 0 | 0 | 112.7 | C1582 D1583 H1588 R1589 | C1582-P1586 VanDerWaalsContact O-CD 3.27Å; C1582-P1586 WeakPolarHBondContact O-CD 3.34Å; D1583-P1586 VanDerWaalsContact O-CD 3.29Å; D1583-P1586 WeakPolarHBondContact O-CD 3.36Å; D1583-P1586 WeakPolarHBondContact O-CG 3.42Å; P1586-H1588 VanDerWaalsContact C-N 3.29Å; P1586-H1588 PolarHBondContact O-N 2.94Å; P1586-R1589 PolarHBondContact O-N 2.95Å; P1586-R1589 VanDerWaalsContact O-N 3.14Å |
| 1587 | S | 81.1 | Confident | 83.6 | Confident | 85.8 Ų | 85.8 | 70.3 Ų | 70.3 | 60% | 0.6 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -63.3 | -31.8 | -178.8 | 53.2 | 0 | 0 | 0 | 0 | 113.5 | D1583 K1584 Y1585 R1589 | D1583-S1587 WeakPolarHBondContact O-CB 3.31Å; D1583-S1587 PolarHBondContact O-N 3.2Å; D1583-S1587 PolarHBondContact O-OG 3.03Å; K1584-S1587 VanDerWaalsContact CA-OG 3.31Å; K1584-S1587 WeakPolarHBondContact CA-OG 3.33Å; K1584-S1587 PolarHBondContact O-N 3.14Å; K1584-S1587 PolarHBondContact O-OG 3.2Å; Y1585-S1587 VanDerWaalsContact C-N 3.31Å; Y1585-S1587 PolarHBondContact O-N 3Å; S1587-R1589 VanDerWaalsContact C-N 3.31Å; S1587-R1589 PolarHBondContact O-N 3Å |
| 1588 | H | 78.5 | Confident | 83.4 | Confident | 94 Ų | 94 | 66.8 Ų | 66.8 | 44% | 0.435 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 8.3 | 178.3 | -83.3 | -72.7 | 0 | 0 | 0 | 114.9 | L1529 K1584 Y1585 P1586 C1590 | L1529-H1588 HydrophobicContact CD1-CB 4.09Å; L1529-H1588 VanDerWaalsContact CD1-CD2 3.44Å; L1529-H1588 WeakPolarHBondContact CD1-CD2 3.35Å; K1584-H1588 WeakPolarHBondContact O-CB 3.28Å; K1584-H1588 PolarHBondContact O-CD2 3.19Å; K1584-H1588 VanDerWaalsContact O-CD2 3.25Å; K1584-H1588 PolarHBondContact O-N 3.03Å; K1584-H1588 VanDerWaalsContact O-N 3.16Å; Y1585-H1588 PolarHBondContact O-N 3.12Å; P1586-H1588 VanDerWaalsContact C-N 3.29Å; P1586-H1588 PolarHBondContact O-N 2.94Å; H1588-C1590 VanDerWaalsContact C-N 3.25Å; H1588-C1590 PolarHBondContact O-N 3.1Å |
| 1589 | R | 79.8 | Confident | 83.1 | Confident | 194.8 Ų | 194.8 | 67.4 Ų | 67.4 | 74% | 0.735 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 52.2 | -176 | -58.9 | -173.9 | -177.9 | -164.9 | 0.9 | 111.6 | P1586 S1587 H1591 | P1586-R1589 PolarHBondContact O-N 2.95Å; P1586-R1589 VanDerWaalsContact O-N 3.14Å; S1587-R1589 VanDerWaalsContact C-N 3.31Å; S1587-R1589 PolarHBondContact O-N 3Å; R1589-H1591 PolarHBondContact O-CD2 3.12Å; R1589-H1591 VanDerWaalsContact O-CD2 3.27Å; R1589-H1591 PolarHBondContact O-N 3.13Å |
| 1590 | C | 79 | Confident | 82.9 | Confident | 17.8 Ų | 17.8 | 65.1 Ų | 65.1 | 12% | 0.12 | 34% | 0.34 | C | S | . | . | trans | -75.2 | 93.4 | 179.9 | -71.3 | 0 | 0 | 0 | 0 | 111.1 | C1526 Y1585 H1588 | C1526-C1590 VanDerWaalsContact CA-SG 3.53Å; C1526-C1590 WeakPolarHBondContact CA-SG 3.36Å; C1526-C1590 HydrophobicContact CB-CB 3.61Å; C1526-C1590 WeakPolarHBondContact CB-SG 3.26Å; C1526-C1590 WeakPolarHBondContact SG-CA 3.33Å; C1526-C1590 WeakPolarHBondContact SG-CB 3.32Å; C1526-C1590 CovalentContact SG-SG 2.03Å; C1526-C1590 PolarHBondContact SG-SG 3.22Å; Y1585-C1590 HydrophobicContact CD1-CB 4.25Å; Y1585-C1590 HydrophobicContact CD2-CB 4.04Å; Y1585-C1590 HydrophobicContact CE1-CB 4.02Å; Y1585-C1590 HydrophobicContact CE2-CB 3.67Å; Y1585-C1590 HydrophobicContact CG-CB 4.28Å; Y1585-C1590 WeakPolarHBondContact O-CB 3.35Å; Y1585-C1590 PolarHBondContact O-SG 3.01Å; Y1585-C1590 VanDerWaalsContact O-SG 3.42Å; H1588-C1590 VanDerWaalsContact C-N 3.25Å; H1588-C1590 PolarHBondContact O-N 3.1Å | ||
| 1591 | H | 77.4 | Confident | 82.8 | Confident | 123.4 Ų | 123.4 | 58.9 Ų | 58.9 | 57% | 0.571 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -78.1 | 134.5 | 173 | -60.8 | -68.6 | 0 | 0 | 0 | 110.5 | E1522 R1589 | E1522-H1591 PolarHBondContact N-O 3.1Å; R1589-H1591 PolarHBondContact O-CD2 3.12Å; R1589-H1591 VanDerWaalsContact O-CD2 3.27Å; R1589-H1591 PolarHBondContact O-N 3.13Å |
| 1592 | V | 78.2 | Confident | 82.5 | Confident | 73.6 Ų | 73.6 | 57.3 Ų | 57.3 | 45% | 0.446 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 134 | 168 | -68.4 | 0 | 0 | 0 | 0 | 109.2 | Y1519 Y1520 E1521 Y1585 | Y1519-V1592 HydrophobicContact CD1-CB 4.46Å; Y1519-V1592 HydrophobicContact CD1-CG2 4.19Å; Y1520-V1592 CarbonylContact O-C 3.56Å; Y1520-V1592 WeakPolarHBondContact O-CA 3.4Å; E1521-V1592 HydrophobicContact CG-CG1 4.22Å; Y1585-V1592 WeakPolarHBondContact OH-CG1 3.21Å |
| 1593 | Q | 77.1 | Confident | 82.4 | Confident | 38.2 Ų | 38.2 | 56.2 Ų | 56.2 | 18% | 0.179 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 129.1 | 169.8 | -169.9 | 172.7 | 11.7 | 0 | 0 | 109.1 | A1423 R1441 Y1519 Y1520 | A1423-Q1593 HydrophobicContact CB-CG 4.43Å; A1423-Q1593 VanDerWaalsContact CB-NE2 3.34Å; R1441-Q1593 PolarHBondContact O-OE1 3.09Å; Y1519-Q1593 WeakPolarHBondContact CA-O 3.29Å; Y1520-Q1593 PolarHBondContact N-O 3.1Å; Y1520-Q1593 PolarHBondContact O-N 3.14Å |
| 1594 | L | 80.7 | Confident | 82.3 | Confident | 92.6 Ų | 92.6 | 51.7 Ų | 51.7 | 49% | 0.485 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 123.6 | 169.3 | 177.4 | 61.5 | 0 | 0 | 0 | 109 | Y1519 | Y1519-L1594 HydrophobicContact CD1-CB 4.45Å; Y1519-L1594 HydrophobicContact CD1-CD1 4.21Å; Y1519-L1594 HydrophobicContact CE1-CB 4.3Å; Y1519-L1594 HydrophobicContact CE1-CD1 3.83Å; Y1519-L1594 HydrophobicContact CE2-CD1 4.34Å; Y1519-L1594 HydrophobicContact CG-CD1 4.46Å |
| 1595 | C | 83.3 | Confident | 82.4 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.02 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 146.1 | 177.4 | -68.3 | 0 | 0 | 0 | 0 | 110.8 | T1421 T1422 C1440 S1517 I1518 Y1520 | T1421-C1595 HydrophobicContact CG2-CB 4.25Å; T1422-C1595 CarbonylContact O-C 3.57Å; T1422-C1595 VanDerWaalsContact O-CA 3.25Å; T1422-C1595 WeakPolarHBondContact O-CA 3.35Å; T1422-C1595 VanDerWaalsContact O-CB 3.29Å; T1422-C1595 WeakPolarHBondContact O-CB 3.36Å; C1440-C1595 HydrophobicContact CB-CB 4.02Å; C1440-C1595 WeakPolarHBondContact CB-SG 3.36Å; C1440-C1595 WeakPolarHBondContact SG-CB 3.38Å; C1440-C1595 CovalentContact SG-SG 2.02Å; C1440-C1595 PolarHBondContact SG-SG 2.94Å; S1517-C1595 CarbonylContact C-O 3.55Å; S1517-C1595 WeakPolarHBondContact CA-O 3.34Å; I1518-C1595 PolarHBondContact N-O 3.11Å; I1518-C1595 PolarHBondContact O-N 2.96Å; Y1520-C1595 HydrophobicContact CD2-CB 3.95Å; Y1520-C1595 HydrophobicContact CE2-CB 4.08Å |
| 1596 | S | 81.9 | Confident | 82.5 | Confident | 31.4 Ų | 31.4 | 47.2 Ų | 47.2 | 22% | 0.22 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 124.9 | 173.6 | 59.2 | 0 | 0 | 0 | 0 | 109.9 | T1421 T1422 P1515 R1516 | T1421-S1596 WeakPolarHBondContact CA-O 3.34Å; T1422-S1596 PolarHBondContact N-O 2.88Å; T1422-S1596 PolarHBondContact O-N 3.24Å; T1422-S1596 PolarHBondContact O-OG 2.98Å; T1422-S1596 PolarHBondContact OG1-O 2.99Å; T1422-S1596 VanDerWaalsContact OG1-O 3.07Å; T1422-S1596 PolarHBondContact OG1-OG 2.98Å; P1515-S1596 WeakPolarHBondContact CB-OG 3.29Å; R1516-S1596 WeakPolarHBondContact O-CA 3.45Å |
| 1597 | H | 83.4 | Confident | 82.9 | Confident | 49.4 Ų | 49.4 | 43.8 Ų | 43.8 | 23% | 0.229 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 120.3 | 172.4 | 178.1 | -51.8 | 0 | 0 | 0 | 109.7 | N1419 V1420 T1421 R1516 I1518 | N1419-H1597 VanDerWaalsContact C-CE1 3.47Å; N1419-H1597 PolarHBondContact O-CE1 3.24Å; N1419-H1597 VanDerWaalsContact O-CE1 3.28Å; V1420-H1597 WeakPolarHBondContact O-CA 3.36Å; T1421-H1597 HydrophobicContact CG2-CB 4.1Å; T1421-H1597 VanDerWaalsContact CG2-CD2 3.46Å; T1421-H1597 WeakPolarHBondContact CG2-CD2 3.24Å; T1421-H1597 WeakPolarHBondContact CG2-ND1 3.47Å; T1421-H1597 PolarHBondContact OG1-CD2 3.06Å; T1421-H1597 VanDerWaalsContact OG1-CD2 3.25Å; R1516-H1597 HydrophobicContact CB-CB 4.42Å; R1516-H1597 PolarHBondContact N-O 2.93Å; R1516-H1597 PolarHBondContact O-N 3.19Å; I1518-H1597 HydrophobicContact CD1-CB 3.81Å; I1518-H1597 HydrophobicContact CG1-CB 4.41Å |
| 1598 | G | 83 | Confident | 83 | Confident | 20.4 Ų | 20.4 | 41.3 Ų | 41.3 | 21% | 0.21 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.5 | -141.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | N1419 V1420 | N1419-G1598 PolarHBondContact N-O 3.03Å; N1419-G1598 VanDerWaalsContact N-O 3.09Å; V1420-G1598 PolarHBondContact N-O 3.1Å; V1420-G1598 PolarHBondContact O-N 3.06Å |
| 1599 | L | 86.2 | Confident | 83.3 | Confident | 15 Ų | 15 | 39.4 Ų | 39.4 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 139.1 | 177.8 | -177.4 | 70.5 | 0 | 0 | 0 | 110.3 | V1416 R1418 W1508 E1511 L1512 L1601 | V1416-L1599 HydrophobicContact CG1-CD1 3.71Å; R1418-L1599 HydrophobicContact CB-CD1 4.49Å; R1418-L1599 HydrophobicContact CG-CD1 3.79Å; W1508-L1599 HydrophobicContact CE3-CD2 4.19Å; W1508-L1599 HydrophobicContact CZ3-CD2 4.47Å; E1511-L1599 HydrophobicContact CB-CD2 3.79Å; E1511-L1599 HydrophobicContact CG-CB 4.39Å; E1511-L1599 HydrophobicContact CG-CD2 3.8Å; E1511-L1599 WeakPolarHBondContact OE2-CD2 3.29Å; L1512-L1599 HydrophobicContact CD2-CB 4.1Å; L1512-L1599 HydrophobicContact CD2-CD2 3.94Å; L1512-L1599 HydrophobicContact CD2-CG 4.07Å; L1512-L1599 HydrophobicContact CG-CD2 3.96Å; L1512-L1599 HydrophobicContact CG-CG 4.44Å; L1599-L1601 HydrophobicContact CD1-CD2 4.16Å; L1599-L1601 HydrophobicContact CD2-CD1 4.44Å; L1599-L1601 HydrophobicContact CD2-CD2 4.09Å; L1599-L1601 HydrophobicContact CD2-CG 4.22Å; L1599-L1601 HydrophobicContact CG-CD2 4.12Å; L1599-L1601 HydrophobicContact CG-CG 4.32Å |
| 1600 | R | 84.4 | Confident | 83.1 | Confident | 1.2 Ų | 1.2 | 31.5 Ų | 31.5 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 126.1 | 168.5 | 169.4 | 175.3 | 160.3 | -168.4 | -15.6 | 109 | Y1417 V1420 F1449 P1450 P1451 A1493 C1494 L1495 D1602 | Y1417-R1600 HydrophobicContact CD2-CG 4.47Å; Y1417-R1600 PolarHBondContact N-O 3.12Å; Y1417-R1600 PolarHBondContact O-N 3.26Å; V1420-R1600 HydrophobicContact CB-CB 4.28Å; V1420-R1600 HydrophobicContact CG1-CB 4.34Å; V1420-R1600 HydrophobicContact CG2-CB 4.19Å; F1449-R1600 VanDerWaalsContact CE2-NH1 3.29Å; P1450-R1600 PolarHBondContact O-NH1 2.87Å; P1451-R1600 PolarHBondContact O-NH2 3.1Å; A1493-R1600 HydrophobicContact CB-CG 4.49Å; C1494-R1600 WeakPolarHBondContact O-CA 3.43Å; L1495-R1600 HydrophobicContact CD2-CB 3.81Å; L1495-R1600 HydrophobicContact CD2-CG 4.13Å; R1600-D1602 WeakPolarHBondContact CG-OD1 3.3Å; R1600-D1602 IonicContact CZ-OD1 3.09Å; R1600-D1602 IonicContact CZ-OD2 3.41Å; R1600-D1602 IonicContact NE-OD1 3.27Å; R1600-D1602 PolarHBondContact NE-OD1 2.96Å; R1600-D1602 IonicContact NE-OD2 3.11Å; R1600-D1602 PolarHBondContact NE-OD2 3Å; R1600-D1602 IonicContact NH2-OD1 3.2Å; R1600-D1602 PolarHBondContact NH2-OD1 3.05Å; R1600-D1602 IonicContact NH2-OD2 3.12Å; R1600-D1602 PolarHBondContact NH2-OD2 3.08Å |
| 1601 | L | 85.8 | Confident | 82.5 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 128.1 | 175.5 | -60.4 | -175.7 | 0 | 0 | 0 | 110.4 | M1414 R1415 V1416 A1493 C1494 P1501 W1508 L1512 L1599 F1603 | M1414-L1601 HydrophobicContact SD-CD1 4.37Å; M1414-L1601 HydrophobicContact SD-CD2 4.41Å; R1415-L1601 WeakPolarHBondContact O-CA 3.38Å; V1416-L1601 HydrophobicContact CB-CD2 4.11Å; V1416-L1601 HydrophobicContact CG1-CD2 3.91Å; V1416-L1601 HydrophobicContact CG2-CD2 3.76Å; A1493-L1601 CarbonylContact C-O 3.57Å; A1493-L1601 WeakPolarHBondContact CA-O 3.42Å; C1494-L1601 HydrophobicContact CB-CB 4.4Å; C1494-L1601 PolarHBondContact N-O 3Å; C1494-L1601 PolarHBondContact O-N 3.17Å; P1501-L1601 HydrophobicContact CB-CD1 3.83Å; P1501-L1601 HydrophobicContact CG-CD1 4.1Å; W1508-L1601 HydrophobicContact CB-CD1 3.87Å; W1508-L1601 HydrophobicContact CD2-CD1 4.29Å; W1508-L1601 HydrophobicContact CE3-CD1 4.22Å; W1508-L1601 HydrophobicContact CE3-CD2 3.98Å; W1508-L1601 HydrophobicContact CG-CD1 4.16Å; W1508-L1601 HydrophobicContact CZ3-CD2 4.24Å; L1512-L1601 HydrophobicContact CD1-CD1 3.72Å; L1512-L1601 HydrophobicContact CD1-CG 4.31Å; L1512-L1601 HydrophobicContact CD2-CG 4.39Å; L1512-L1601 HydrophobicContact CG-CD1 4.27Å; L1512-L1601 HydrophobicContact CG-CG 4.49Å; L1599-L1601 HydrophobicContact CD1-CD2 4.16Å; L1599-L1601 HydrophobicContact CD2-CD1 4.44Å; L1599-L1601 HydrophobicContact CD2-CD2 4.09Å; L1599-L1601 HydrophobicContact CD2-CG 4.22Å; L1599-L1601 HydrophobicContact CG-CD2 4.12Å; L1599-L1601 HydrophobicContact CG-CG 4.32Å; L1601-F1603 HydrophobicContact CB-CD2 4.47Å; L1601-F1603 HydrophobicContact CB-CE2 3.62Å; L1601-F1603 HydrophobicContact CB-CZ 3.97Å; L1601-F1603 HydrophobicContact CD1-CE2 4.49Å; L1601-F1603 HydrophobicContact CD1-CZ 4.27Å |
| 1602 | D | 84.5 | Confident | 82 | Confident | 7.8 Ų | 7.8 | 37.2 Ų | 37.2 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 120.1 | -172.7 | -87.4 | 21.6 | 0 | 0 | 0 | 109.7 | M1414 R1415 Y1417 V1491 A1493 R1600 | M1414-D1602 CarbonylContact C-O 3.56Å; M1414-D1602 WeakPolarHBondContact CA-O 3.25Å; R1415-D1602 HydrophobicContact CB-CB 4.21Å; R1415-D1602 PolarHBondContact N-O 3.13Å; R1415-D1602 PolarHBondContact O-N 3.25Å; Y1417-D1602 HydrophobicContact CD2-CB 4.33Å; Y1417-D1602 HydrophobicContact CE2-CB 3.96Å; Y1417-D1602 VanDerWaalsContact CE2-OD2 3.27Å; Y1417-D1602 WeakPolarHBondContact CE2-OD2 3.22Å; V1491-D1602 HydrophobicContact CG1-CB 3.45Å; V1491-D1602 VanDerWaalsContact CG1-CB 3.46Å; V1491-D1602 VanDerWaalsContact CG1-CG 3.47Å; A1493-D1602 VanDerWaalsContact CB-OD1 3.3Å; A1493-D1602 WeakPolarHBondContact CB-OD1 3.36Å; R1600-D1602 WeakPolarHBondContact CG-OD1 3.3Å; R1600-D1602 IonicContact CZ-OD1 3.09Å; R1600-D1602 IonicContact CZ-OD2 3.41Å; R1600-D1602 IonicContact NE-OD1 3.27Å; R1600-D1602 PolarHBondContact NE-OD1 2.96Å; R1600-D1602 IonicContact NE-OD2 3.11Å; R1600-D1602 PolarHBondContact NE-OD2 3Å; R1600-D1602 IonicContact NH2-OD1 3.2Å; R1600-D1602 PolarHBondContact NH2-OD1 3.05Å; R1600-D1602 IonicContact NH2-OD2 3.12Å; R1600-D1602 PolarHBondContact NH2-OD2 3.08Å |
| 1603 | F | 87.3 | Confident | 81.4 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 115.4 | -174.1 | -62.5 | -87.1 | 0 | 0 | 0 | 112 | L1412 G1413 M1414 V1491 V1492 C1494 L1500 P1501 F1504 L1601 W1791 | L1412-F1603 HydrophobicContact CD1-CB 4.42Å; G1413-F1603 VanDerWaalsContact O-CA 3.27Å; G1413-F1603 WeakPolarHBondContact O-CA 3.27Å; M1414-F1603 HydrophobicContact CB-CD1 3.94Å; M1414-F1603 HydrophobicContact CB-CE1 3.74Å; M1414-F1603 HydrophobicContact CG-CD1 4.05Å; M1414-F1603 HydrophobicContact CG-CE1 3.48Å; M1414-F1603 VanDerWaalsContact CG-CE1 3.42Å; M1414-F1603 HydrophobicContact CG-CZ 3.9Å; M1414-F1603 HydrophobicContact SD-CE1 3.72Å; M1414-F1603 HydrophobicContact SD-CZ 3.89Å; V1491-F1603 WeakPolarHBondContact CA-O 3.45Å; V1492-F1603 PolarHBondContact N-O 3.01Å; V1492-F1603 PolarHBondContact O-N 3.16Å; C1494-F1603 HydrophobicContact CB-CE2 4.07Å; C1494-F1603 VanDerWaalsContact SG-CE2 3.55Å; L1500-F1603 HydrophobicContact CD1-CD1 4.05Å; L1500-F1603 HydrophobicContact CD1-CE1 4.39Å; L1500-F1603 HydrophobicContact CD1-CG 4.25Å; L1500-F1603 HydrophobicContact CD2-CB 3.78Å; L1500-F1603 HydrophobicContact CD2-CD1 4.13Å; L1500-F1603 HydrophobicContact CD2-CD2 3.47Å; L1500-F1603 VanDerWaalsContact CD2-CD2 3.41Å; L1500-F1603 HydrophobicContact CD2-CE2 4.07Å; L1500-F1603 HydrophobicContact CD2-CG 3.51Å; L1500-F1603 VanDerWaalsContact CD2-CG 3.47Å; L1500-F1603 HydrophobicContact CG-CB 4.4Å; L1500-F1603 HydrophobicContact CG-CD1 3.83Å; L1500-F1603 HydrophobicContact CG-CD2 3.77Å; L1500-F1603 HydrophobicContact CG-CE1 3.99Å; L1500-F1603 HydrophobicContact CG-CE2 3.94Å; L1500-F1603 HydrophobicContact CG-CG 3.72Å; L1500-F1603 HydrophobicContact CG-CZ 4.06Å; P1501-F1603 HydrophobicContact CB-CZ 4.25Å; P1501-F1603 HydrophobicContact CG-CE2 4.19Å; P1501-F1603 HydrophobicContact CG-CZ 4.08Å; F1504-F1603 HydrophobicContact CD2-CD1 4.31Å; F1504-F1603 AromaticContact CD2-CE1 3.61Å; F1504-F1603 HydrophobicContact CD2-CE1 3.61Å; F1504-F1603 AromaticContact CE2-CD1 3.84Å; F1504-F1603 HydrophobicContact CE2-CD1 3.84Å; F1504-F1603 AromaticContact CE2-CE1 3.61Å; F1504-F1603 HydrophobicContact CE2-CE1 3.61Å; L1601-F1603 HydrophobicContact CB-CD2 4.47Å; L1601-F1603 HydrophobicContact CB-CE2 3.62Å; L1601-F1603 HydrophobicContact CB-CZ 3.97Å; L1601-F1603 HydrophobicContact CD1-CE2 4.49Å; L1601-F1603 HydrophobicContact CD1-CZ 4.27Å; F1603-W1791 HydrophobicContact CB-CZ2 4.36Å; F1603-W1791 PolarHBondContact O-NE1 2.98Å; F1603-W1791 VanDerWaalsContact O-NE1 3.1Å |
| 1604 | S | 85.7 | Confident | 81.5 | Confident | 1.8 Ų | 1.8 | 35.4 Ų | 35.4 | 1% | 0.013 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 137.2 | 178.7 | 49.4 | 0 | 0 | 0 | 0 | 111.5 | L1412 G1413 A1490 E1772 | L1412-S1604 CarbonylContact C-O 3.56Å; L1412-S1604 WeakPolarHBondContact CA-O 3.38Å; G1413-S1604 PolarHBondContact N-O 3.07Å; G1413-S1604 PolarHBondContact O-N 3.02Å; G1413-S1604 PolarHBondContact O-OG 2.84Å; A1490-S1604 WeakPolarHBondContact O-CA 3.35Å; S1604-E1772 PolarHBondContact OG-OE1 3.21Å |
| 1605 | L | 87 | Confident | 81.8 | Confident | 5.2 Ų | 5.2 | 31.3 Ų | 31.3 | 3% | 0.027 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 115.1 | 172.1 | -170.6 | 74.3 | 0 | 0 | 0 | 109.2 | Y1410 R1411 L1412 V1778 V1786 T1788 W1791 L1809 | Y1410-L1605 HydrophobicContact CD1-CD1 4.38Å; Y1410-L1605 HydrophobicContact CD1-CD2 4.1Å; Y1410-L1605 HydrophobicContact CD1-CG 3.89Å; Y1410-L1605 HydrophobicContact CE1-CD2 4.41Å; Y1410-L1605 HydrophobicContact CG-CD1 4.21Å; Y1410-L1605 HydrophobicContact CG-CD2 4.46Å; Y1410-L1605 HydrophobicContact CG-CG 4.22Å; R1411-L1605 WeakPolarHBondContact O-CA 3.47Å; L1412-L1605 HydrophobicContact CB-CD1 4.26Å; L1412-L1605 HydrophobicContact CD1-CD1 4.31Å; L1605-V1778 HydrophobicContact CD1-CG2 4.07Å; L1605-V1786 HydrophobicContact CD2-CG1 4.13Å; L1605-T1788 VanDerWaalsContact O-CG2 3.27Å; L1605-T1788 WeakPolarHBondContact O-CG2 3.28Å; L1605-W1791 HydrophobicContact CB-CB 4.34Å; L1605-W1791 HydrophobicContact CB-CD2 3.78Å; L1605-W1791 HydrophobicContact CB-CE3 4.37Å; L1605-W1791 HydrophobicContact CB-CG 3.75Å; L1605-W1791 HydrophobicContact CB-CZ2 4.45Å; L1605-W1791 HydrophobicContact CD2-CB 4.31Å; L1605-W1791 HydrophobicContact CD2-CD2 4.06Å; L1605-W1791 HydrophobicContact CD2-CE3 3.89Å; L1605-W1791 HydrophobicContact CD2-CG 4.27Å; L1605-W1791 HydrophobicContact CD2-CZ3 4.36Å; L1605-W1791 HydrophobicContact CG-CD2 4.35Å; L1605-W1791 HydrophobicContact CG-CE3 4.48Å; L1605-L1809 HydrophobicContact CD1-CD1 4.42Å |
| 1606 | I | 86.3 | Confident | 82.1 | Confident | 49.6 Ų | 49.6 | 31.7 Ų | 31.7 | 25% | 0.254 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 126.4 | -172.8 | -58.1 | 174.5 | 0 | 0 | 0 | 109.3 | Y1410 R1411 Y1764 V1769 | Y1410-I1606 CarbonylContact C-O 3.58Å; Y1410-I1606 VanDerWaalsContact CA-O 3.25Å; Y1410-I1606 WeakPolarHBondContact CA-O 3.38Å; R1411-I1606 PolarHBondContact N-O 3.24Å; R1411-I1606 PolarHBondContact O-N 3.2Å; I1606-Y1764 WeakPolarHBondContact CG2-O 3.43Å; I1606-V1769 HydrophobicContact CD1-CG1 4.14Å; I1606-V1769 HydrophobicContact CD1-CG2 4.26Å |
| 1607 | P | 89.1 | Confident | 82.6 | Confident | 14.4 Ų | 14.4 | 30.2 Ų | 30.2 | 9% | 0.094 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 137.2 | 179.2 | 30.6 | -32.5 | 0 | 0 | 0 | 111 | L1357 P1407 Y1410 W1609 T1788 | L1357-P1607 HydrophobicContact CB-CG 3.85Å; L1357-P1607 HydrophobicContact CD1-CG 3.64Å; L1357-P1607 HydrophobicContact CG-CG 4.4Å; P1407-P1607 HydrophobicContact CB-CB 3.66Å; P1407-P1607 HydrophobicContact CG-CB 3.9Å; Y1410-P1607 HydrophobicContact CD1-CB 3.93Å; Y1410-P1607 HydrophobicContact CE1-CB 3.87Å; P1607-W1609 HydrophobicContact CB-CZ2 4.15Å; P1607-W1609 HydrophobicContact CG-CZ2 4.24Å; P1607-T1788 HydrophobicContact CG-CG2 4.29Å |
| 1608 | E | 85.2 | Confident | 83 | Confident | 33.6 Ų | 33.6 | 29.7 Ų | 29.7 | 16% | 0.157 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 116.8 | 173.3 | -65.4 | -168.5 | 166.2 | 0 | 0 | 109.7 | P1408 L1409 R1411 T1761 M1762 Q1777 | P1408-E1608 WeakPolarHBondContact CD-O 3.29Å; P1408-E1608 VanDerWaalsContact CG-O 3.25Å; P1408-E1608 WeakPolarHBondContact CG-O 3.42Å; L1409-E1608 HydrophobicContact CB-CB 4.32Å; L1409-E1608 PolarHBondContact O-N 3.12Å; R1411-E1608 HydrophobicContact CB-CG 4.37Å; R1411-E1608 IonicContact CZ-OE1 3.67Å; R1411-E1608 VanDerWaalsContact CZ-OE1 3.31Å; R1411-E1608 IonicContact NE-OE1 3.3Å; R1411-E1608 PolarHBondContact NE-OE1 3.09Å; R1411-E1608 IonicContact NH2-OE1 3.15Å; R1411-E1608 PolarHBondContact NH2-OE1 3.18Å; E1608-T1761 HydrophobicContact CB-CG2 4.32Å; E1608-T1761 WeakPolarHBondContact OE2-CB 3.37Å; E1608-T1761 PolarHBondContact OE2-OG1 3.03Å; E1608-M1762 WeakPolarHBondContact CA-O 3.02Å; E1608-Q1777 PolarHBondContact OE1-NE2 3.08Å; E1608-Q1777 PolarHBondContact OE2-NE2 3.06Å; E1608-Q1777 VanDerWaalsContact OE2-NE2 3.11Å |
| 1609 | W | 84.1 | Confident | 83.3 | Confident | 54.4 Ų | 54.4 | 29 Ų | 29 | 21% | 0.206 | 14% | 0.144 | C | C | . | . | trans | -98.6 | 149.2 | -176.4 | -59.8 | 102.9 | 0 | 0 | 0 | 112.5 | D1354 L1357 F1358 A1361 P1405 P1407 P1607 K1611 M1762 | D1354-W1609 HydrophobicContact CB-CH2 4.4Å; D1354-W1609 HydrophobicContact CB-CZ2 4.1Å; L1357-W1609 PolarHBondContact O-NE1 3.15Å; F1358-W1609 HydrophobicContact CB-CD2 4.46Å; F1358-W1609 HydrophobicContact CB-CH2 3.82Å; F1358-W1609 HydrophobicContact CB-CZ2 3.65Å; F1358-W1609 HydrophobicContact CB-CZ3 4.33Å; F1358-W1609 AromaticContact CD2-CD2 3.77Å; F1358-W1609 HydrophobicContact CD2-CD2 3.77Å; F1358-W1609 AromaticContact CD2-CE2 3.92Å; F1358-W1609 AromaticContact CD2-CE3 3.52Å; F1358-W1609 HydrophobicContact CD2-CE3 3.52Å; F1358-W1609 VanDerWaalsContact CD2-CE3 3.45Å; F1358-W1609 HydrophobicContact CD2-CG 4.46Å; F1358-W1609 AromaticContact CD2-CH2 3.75Å; F1358-W1609 HydrophobicContact CD2-CH2 4.01Å; F1358-W1609 AromaticContact CD2-CZ2 3.97Å; F1358-W1609 HydrophobicContact CD2-CZ2 4.24Å; F1358-W1609 AromaticContact CD2-CZ3 3.63Å; F1358-W1609 HydrophobicContact CD2-CZ3 3.63Å; F1358-W1609 VanDerWaalsContact CD2-CZ3 3.48Å; F1358-W1609 HydrophobicContact CE2-CD2 4.41Å; F1358-W1609 AromaticContact CE2-CE3 3.93Å; F1358-W1609 HydrophobicContact CE2-CE3 4.11Å; F1358-W1609 HydrophobicContact CE2-CZ3 4.34Å; F1358-W1609 HydrophobicContact CG-CE3 4.48Å; F1358-W1609 HydrophobicContact CG-CH2 4.27Å; F1358-W1609 HydrophobicContact CG-CZ2 4.24Å; F1358-W1609 HydrophobicContact CG-CZ3 4.31Å; A1361-W1609 VanDerWaalsContact CB-CD1 3.46Å; A1361-W1609 HydrophobicContact CB-CG 4.31Å; P1405-W1609 HydrophobicContact CB-CH2 4.43Å; P1405-W1609 HydrophobicContact CB-CZ3 4.07Å; P1405-W1609 HydrophobicContact CG-CH2 4.48Å; P1405-W1609 WeakPolarHBondContact O-CH2 3.26Å; P1407-W1609 VanDerWaalsContact CA-CZ3 3.48Å; P1407-W1609 HydrophobicContact CB-CD2 4.24Å; P1407-W1609 HydrophobicContact CB-CE3 3.96Å; P1407-W1609 HydrophobicContact CB-CH2 3.89Å; P1407-W1609 HydrophobicContact CB-CZ2 4.15Å; P1407-W1609 HydrophobicContact CB-CZ3 3.8Å; P1407-W1609 HydrophobicContact CG-CH2 4.13Å; P1407-W1609 HydrophobicContact CG-CZ2 4.41Å; P1407-W1609 HydrophobicContact CG-CZ3 4.37Å; P1407-W1609 VanDerWaalsContact N-CZ3 3.34Å; P1607-W1609 HydrophobicContact CB-CZ2 4.15Å; P1607-W1609 HydrophobicContact CG-CZ2 4.24Å; W1609-K1611 PolarHBondContact O-N 3.1Å; W1609-M1762 PolarHBondContact N-O 3.34Å; W1609-M1762 PolarHBondContact O-N 3.09Å | ||
| 1610 | P | 75.4 | Confident | 83.5 | Confident | 29.2 Ų | 29.2 | 31.2 Ų | 31.2 | 19% | 0.19 | 15% | 0.154 | C | C | . | . | trans | -67.2 | 133.9 | 177.7 | 19.9 | -23.4 | 0 | 0 | 0 | 112 | P1408 Q1612 G1613 E1614 | P1408-P1610 HydrophobicContact CG-CG 4.21Å; P1610-Q1612 PolarHBondContact O-N 3.12Å; P1610-Q1612 VanDerWaalsContact O-N 3.15Å; P1610-G1613 PolarHBondContact O-N 3.14Å; P1610-E1614 HydrophobicContact CB-CB 4.08Å; P1610-E1614 HydrophobicContact CG-CB 4.2Å; P1610-E1614 VanDerWaalsContact CG-O 3.23Å; P1610-E1614 WeakPolarHBondContact CG-O 3.46Å | ||
| 1611 | K | 66.6 | Low | 83.6 | Confident | 132 Ų | 132 | 32.1 Ų | 32.1 | 57% | 0.574 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -16.2 | -174.4 | -67.5 | -176.4 | -177.2 | -179.3 | 0 | 114.4 | Y1390 W1609 G1613 E1614 N1760 T1761 M1762 | Y1390-K1611 VanDerWaalsContact CE1-O 3.27Å; Y1390-K1611 WeakPolarHBondContact CE1-O 3.38Å; W1609-K1611 PolarHBondContact O-N 3.1Å; K1611-G1613 VanDerWaalsContact C-N 3.31Å; K1611-G1613 PolarHBondContact O-N 2.88Å; K1611-E1614 PolarHBondContact O-N 3.06Å; K1611-N1760 WeakPolarHBondContact CB-O 3.36Å; K1611-N1760 HydrophobicContact CD-CB 4.22Å; K1611-N1760 WeakPolarHBondContact CD-O 3.21Å; K1611-N1760 VanDerWaalsContact CE-O 3.25Å; K1611-N1760 WeakPolarHBondContact CE-O 3.03Å; K1611-N1760 WeakPolarHBondContact CG-O 3.06Å; K1611-T1761 WeakPolarHBondContact CE-O 3.07Å; K1611-T1761 PolarHBondContact NZ-O 3.32Å; K1611-M1762 HydrophobicContact CD-CE 4.16Å; K1611-M1762 HydrophobicContact CD-CG 4.36Å; K1611-M1762 HydrophobicContact CD-SD 4.4Å; K1611-M1762 HydrophobicContact CG-CE 4.02Å; K1611-M1762 HydrophobicContact CG-CG 3.58Å; K1611-M1762 HydrophobicContact CG-SD 4.19Å |
| 1612 | Q | 65.8 | Low | 83.6 | Confident | 127.8 Ų | 127.8 | 32.8 Ų | 32.8 | 60% | 0.597 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | 18 | -173.5 | -60.7 | 170.8 | 14.2 | 0 | 0 | 113.4 | K1393 P1610 E1614 | K1393-Q1612 PolarHBondContact NZ-O 2.78Å; P1610-Q1612 PolarHBondContact O-N 3.12Å; P1610-Q1612 VanDerWaalsContact O-N 3.15Å; Q1612-E1614 HydrophobicContact CB-CG 4.21Å; Q1612-E1614 WeakPolarHBondContact CB-OE2 3.49Å; Q1612-E1614 PolarHBondContact NE2-OE1 3.38Å; Q1612-E1614 VanDerWaalsContact NE2-OE1 3.11Å; Q1612-E1614 PolarHBondContact NE2-OE2 3.39Å; Q1612-E1614 PolarHBondContact O-N 3.25Å |
| 1613 | G | 66 | Low | 83.3 | Confident | 23.2 Ų | 23.2 | 36.5 Ų | 36.5 | 24% | 0.239 | 19% | 0.19 | C | C | . | . | trans | 75.9 | 18.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K1393 P1610 K1611 T1714 | K1393-G1613 WeakPolarHBondContact CE-O 3.33Å; K1393-G1613 PolarHBondContact NZ-O 3.16Å; P1610-G1613 PolarHBondContact O-N 3.14Å; K1611-G1613 VanDerWaalsContact C-N 3.31Å; K1611-G1613 PolarHBondContact O-N 2.88Å; G1613-T1714 WeakPolarHBondContact O-CA 3.48Å | ||
| 1614 | E | 78.9 | Confident | 83 | Confident | 51.4 Ų | 51.4 | 40.7 Ų | 40.7 | 24% | 0.24 | 22% | 0.219 | C | C | . | . | trans | -76.5 | 147.3 | 170.7 | -67.3 | 168.3 | 161.2 | 0 | 0 | 109.8 | P1610 K1611 Q1612 G1713 T1714 F1757 | P1610-E1614 HydrophobicContact CB-CB 4.08Å; P1610-E1614 HydrophobicContact CG-CB 4.2Å; P1610-E1614 VanDerWaalsContact CG-O 3.23Å; P1610-E1614 WeakPolarHBondContact CG-O 3.46Å; K1611-E1614 PolarHBondContact O-N 3.06Å; Q1612-E1614 HydrophobicContact CB-CG 4.21Å; Q1612-E1614 WeakPolarHBondContact CB-OE2 3.49Å; Q1612-E1614 PolarHBondContact NE2-OE1 3.38Å; Q1612-E1614 VanDerWaalsContact NE2-OE1 3.11Å; Q1612-E1614 PolarHBondContact NE2-OE2 3.39Å; Q1612-E1614 PolarHBondContact O-N 3.25Å; E1614-G1713 CarbonylContact C-O 3.54Å; E1614-G1713 VanDerWaalsContact CA-O 3.28Å; E1614-G1713 WeakPolarHBondContact CA-O 3.25Å; E1614-T1714 HydrophobicContact CG-CG2 4.11Å; E1614-F1757 VanDerWaalsContact CD-CE1 3.45Å; E1614-F1757 HydrophobicContact CG-CE1 4.3Å; E1614-F1757 WeakPolarHBondContact OE1-CE1 3.34Å; E1614-F1757 WeakPolarHBondContact OE1-CZ 3.39Å | ||
| 1615 | F | 87.6 | Confident | 82.8 | Confident | 6.2 Ų | 6.2 | 47.2 Ų | 47.2 | 3% | 0.027 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 157.5 | 173.2 | 71.5 | -85.9 | 0 | 0 | 0 | 110.6 | T1397 L1401 C1402 C1617 G1712 G1713 T1714 Q1718 Y1835 | T1397-F1615 HydrophobicContact CG2-CB 3.59Å; T1397-F1615 HydrophobicContact CG2-CD1 4.05Å; T1397-F1615 HydrophobicContact CG2-CD2 4.37Å; T1397-F1615 HydrophobicContact CG2-CG 3.77Å; L1401-F1615 HydrophobicContact CB-CD1 4.47Å; L1401-F1615 HydrophobicContact CB-CE1 3.94Å; L1401-F1615 HydrophobicContact CB-CE2 4.29Å; L1401-F1615 HydrophobicContact CB-CZ 3.84Å; L1401-F1615 HydrophobicContact CD1-CD1 4.21Å; L1401-F1615 HydrophobicContact CD1-CE1 3.71Å; L1401-F1615 HydrophobicContact CD1-CZ 4.37Å; L1401-F1615 HydrophobicContact CG-CE1 4.33Å; L1401-F1615 HydrophobicContact CG-CZ 4.39Å; C1402-F1615 HydrophobicContact CB-CD2 3.75Å; C1402-F1615 HydrophobicContact CB-CE2 4.06Å; F1615-C1617 HydrophobicContact CD2-CB 4.12Å; F1615-C1617 VanDerWaalsContact CD2-SG 3.51Å; F1615-C1617 HydrophobicContact CE2-CB 4.05Å; F1615-G1712 CarbonylContact O-C 3.48Å; F1615-G1712 WeakPolarHBondContact O-CA 3.29Å; F1615-G1713 WeakPolarHBondContact CD1-O 3.4Å; F1615-G1713 WeakPolarHBondContact CE1-O 3.39Å; F1615-G1713 PolarHBondContact N-O 3.03Å; F1615-G1713 PolarHBondContact O-N 3.13Å; F1615-T1714 WeakPolarHBondContact CE1-O 3.37Å; F1615-Q1718 HydrophobicContact CZ-CG 4.39Å; F1615-Y1835 WeakPolarHBondContact CE2-OH 3.13Å; F1615-Y1835 WeakPolarHBondContact CZ-OH 3.4Å |
| 1616 | L | 89.7 | Confident | 82.7 | Confident | 11 Ų | 11 | 47.4 Ų | 47.4 | 6% | 0.058 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 136.4 | 165.7 | -65.2 | 169 | 0 | 0 | 0 | 107.4 | P1405 V1406 P1408 V1710 I1711 Y1721 Y1819 | P1405-L1616 CarbonylContact C-O 3.47Å; P1405-L1616 WeakPolarHBondContact CA-O 3.43Å; V1406-L1616 HydrophobicContact CB-CB 4.15Å; V1406-L1616 PolarHBondContact N-O 3.09Å; P1408-L1616 HydrophobicContact CB-CD1 4.04Å; P1408-L1616 HydrophobicContact CG-CD1 4.19Å; L1616-V1710 HydrophobicContact CB-CG1 4.08Å; L1616-V1710 HydrophobicContact CD2-CG1 3.93Å; L1616-V1710 HydrophobicContact CG-CG1 4.44Å; L1616-I1711 CarbonylContact C-O 3.55Å; L1616-I1711 WeakPolarHBondContact CA-O 3.01Å; L1616-Y1721 HydrophobicContact CD2-CD2 4.41Å; L1616-Y1721 HydrophobicContact CD2-CE2 4.43Å; L1616-Y1819 HydrophobicContact CD1-CD1 4.04Å; L1616-Y1819 HydrophobicContact CD1-CE1 3.66Å; L1616-Y1819 VanDerWaalsContact CD1-CE1 3.47Å; L1616-Y1819 HydrophobicContact CD1-CG 4.26Å; L1616-Y1819 HydrophobicContact CD2-CD1 4.39Å; L1616-Y1819 HydrophobicContact CD2-CD2 4.43Å; L1616-Y1819 HydrophobicContact CD2-CE1 4.29Å; L1616-Y1819 HydrophobicContact CD2-CE2 4.38Å; L1616-Y1819 HydrophobicContact CG-CE1 4.46Å |
| 1617 | C | 91.8 | Very high | 82.8 | Confident | 1.6 Ų | 1.6 | 45.6 Ų | 45.6 | 1% | 0.011 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 124.9 | -178.6 | -138.3 | 0 | 0 | 0 | 0 | 109.8 | C1402 F1615 V1619 V1710 I1711 | C1402-C1617 VanDerWaalsContact CA-SG 3.59Å; C1402-C1617 HydrophobicContact CB-CB 3.63Å; C1402-C1617 WeakPolarHBondContact CB-SG 3.37Å; C1402-C1617 WeakPolarHBondContact SG-CA 3.43Å; C1402-C1617 WeakPolarHBondContact SG-CB 3.36Å; C1402-C1617 CovalentContact SG-SG 2.03Å; C1402-C1617 PolarHBondContact SG-SG 3.1Å; F1615-C1617 HydrophobicContact CD2-CB 4.12Å; F1615-C1617 VanDerWaalsContact CD2-SG 3.51Å; F1615-C1617 HydrophobicContact CE2-CB 4.05Å; C1617-V1619 HydrophobicContact CB-CG1 4.3Å; C1617-V1619 PolarHBondContact O-N 2.98Å; C1617-V1710 CarbonylContact O-C 3.59Å; C1617-V1710 VanDerWaalsContact O-CA 3.29Å; C1617-V1710 WeakPolarHBondContact O-CA 3.38Å; C1617-I1711 PolarHBondContact N-O 3.07Å; C1617-I1711 PolarHBondContact O-N 3Å |
| 1618 | H | 92.1 | Very high | 82.7 | Confident | 37.8 Ų | 37.8 | 45.9 Ų | 45.9 | 18% | 0.175 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 123.7 | 170.2 | -170.2 | -164 | 0 | 0 | 0 | 108.7 | P1346 V1347 H1349 V1406 H1620 D1709 P1783 | P1346-H1618 WeakPolarHBondContact CA-O 3.35Å; V1347-H1618 HydrophobicContact CB-CB 4.41Å; V1347-H1618 WeakPolarHBondContact CB-ND1 3.45Å; V1347-H1618 HydrophobicContact CG2-CB 4.27Å; V1347-H1618 VanDerWaalsContact CG2-CD2 3.43Å; V1347-H1618 WeakPolarHBondContact CG2-CD2 3.48Å; V1347-H1618 VanDerWaalsContact CG2-ND1 3.29Å; V1347-H1618 WeakPolarHBondContact CG2-ND1 3.42Å; V1347-H1618 PolarHBondContact N-O 2.92Å; H1349-H1618 AromaticContact CE1-ND1 3.76Å; H1349-H1618 AromaticContact NE2-CE1 3.93Å; H1349-H1618 AromaticContact NE2-CG 3.85Å; H1349-H1618 AromaticContact NE2-ND1 3.1Å; H1349-H1618 PolarHBondContact NE2-ND1 3.22Å; H1349-H1618 VanDerWaalsContact NE2-ND1 3.11Å; V1406-H1618 HydrophobicContact CG2-CB 4.03Å; H1618-H1620 AromaticContact CE1-CE1 3.24Å; H1618-H1620 PolarHBondContact CE1-CE1 3.4Å; H1618-H1620 AromaticContact CE1-NE2 3.29Å; H1618-H1620 PolarHBondContact CE1-NE2 3.32Å; H1618-H1620 VanDerWaalsContact CE1-NE2 3.29Å; H1618-H1620 AromaticContact ND1-CE1 3.46Å; H1618-H1620 PolarHBondContact ND1-CE1 2.79Å; H1618-H1620 AromaticContact ND1-NE2 3.98Å; H1618-D1709 WeakPolarHBondContact CA-O 3.21Å; H1618-D1709 PolarHBondContact CD2-O 3.15Å; H1618-P1783 HydrophobicContact CB-CB 3.81Å; H1618-P1783 HydrophobicContact CB-CG 4.24Å; H1618-P1783 WeakPolarHBondContact CD2-CG 3.15Å; H1618-P1783 WeakPolarHBondContact ND1-CB 3Å; H1618-P1783 PolarHBondContact ND1-O 3.18Å; H1618-P1783 WeakPolarHBondContact NE2-CG 3.05Å |
| 1619 | V | 90.7 | Very high | 83 | Confident | 6.8 Ų | 6.8 | 50.5 Ų | 50.5 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 152.5 | -176.1 | -65.1 | 0 | 0 | 0 | 0 | 111.7 | L1344 G1345 C1617 D1709 I1711 Y1835 | L1344-V1619 HydrophobicContact CB-CB 4.09Å; L1344-V1619 HydrophobicContact CB-CG2 4.21Å; L1344-V1619 HydrophobicContact CD1-CG2 3.92Å; G1345-V1619 CarbonylContact O-C 3.52Å; G1345-V1619 VanDerWaalsContact O-CA 3.24Å; G1345-V1619 WeakPolarHBondContact O-CA 3.37Å; G1345-V1619 WeakPolarHBondContact O-CB 3.24Å; C1617-V1619 HydrophobicContact CB-CG1 4.3Å; C1617-V1619 PolarHBondContact O-N 2.98Å; V1619-D1709 PolarHBondContact N-O 3.32Å; V1619-I1711 HydrophobicContact CG1-CB 4.36Å; V1619-I1711 HydrophobicContact CG1-CD1 4.2Å; V1619-I1711 HydrophobicContact CG1-CG1 4.34Å; V1619-I1711 HydrophobicContact CG2-CB 4.44Å; V1619-I1711 HydrophobicContact CG2-CD1 4.07Å; V1619-I1711 HydrophobicContact CG2-CG1 3.92Å; V1619-Y1835 HydrophobicContact CG1-CD2 4.32Å; V1619-Y1835 HydrophobicContact CG1-CE2 4.36Å |
| 1620 | H | 89 | Confident | 83.3 | Confident | 60.4 Ų | 60.4 | 48.3 Ų | 48.3 | 28% | 0.28 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 161.1 | 173.9 | 51.2 | 53.2 | 0 | 0 | 0 | 110.6 | L1344 G1345 P1346 V1347 H1618 A1622 L1654 | L1344-H1620 CarbonylContact C-O 3.45Å; L1344-H1620 VanDerWaalsContact CA-O 3.31Å; L1344-H1620 WeakPolarHBondContact CA-O 3.31Å; G1345-H1620 PolarHBondContact N-O 3.09Å; G1345-H1620 PolarHBondContact O-N 3.12Å; G1345-H1620 PolarHBondContact O-ND1 2.9Å; P1346-H1620 PolarHBondContact O-CE1 3.38Å; V1347-H1620 HydrophobicContact CG2-CB 4.08Å; V1347-H1620 WeakPolarHBondContact CG2-CD2 3.33Å; H1618-H1620 AromaticContact CE1-CE1 3.24Å; H1618-H1620 PolarHBondContact CE1-CE1 3.4Å; H1618-H1620 AromaticContact CE1-NE2 3.29Å; H1618-H1620 PolarHBondContact CE1-NE2 3.32Å; H1618-H1620 VanDerWaalsContact CE1-NE2 3.29Å; H1618-H1620 AromaticContact ND1-CE1 3.46Å; H1618-H1620 PolarHBondContact ND1-CE1 2.79Å; H1618-H1620 AromaticContact ND1-NE2 3.98Å; H1620-A1622 PolarHBondContact O-N 3.15Å; H1620-L1654 HydrophobicContact CB-CD1 3.99Å; H1620-L1654 VanDerWaalsContact CB-CD1 3.47Å; H1620-L1654 HydrophobicContact CB-CG 4.2Å; H1620-L1654 WeakPolarHBondContact ND1-CD1 3.31Å |
| 1621 | P | 87.5 | Confident | 84.1 | Confident | 19 Ų | 19 | 50.6 Ų | 50.6 | 12% | 0.123 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.2 | 130.5 | 173.5 | -26.2 | 35.9 | 0 | 0 | 0 | 111.9 | L1344 P1623 L1652 P1653 L1654 L1707 | L1344-P1621 HydrophobicContact CD2-CB 4.34Å; L1344-P1621 HydrophobicContact CD2-CG 4.12Å; P1621-P1623 VanDerWaalsContact O-CD 3.26Å; P1621-P1623 WeakPolarHBondContact O-CD 3.39Å; P1621-L1652 HydrophobicContact CB-CB 3.89Å; P1621-L1652 HydrophobicContact CG-CB 4.23Å; P1621-P1653 WeakPolarHBondContact CG-O 3.32Å; P1621-L1654 WeakPolarHBondContact O-CD1 3.31Å; P1621-L1707 HydrophobicContact CG-CD1 4.25Å; P1621-L1707 HydrophobicContact CG-CD2 3.71Å; P1621-L1707 VanDerWaalsContact CG-CD2 3.47Å |
| 1622 | A | 85.1 | Confident | 85.2 | Confident | 16.4 Ų | 16.4 | 44.6 Ų | 44.6 | 14% | 0.136 | 23% | 0.226 | C | C | . | . | trans | -79.1 | 113.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | V1343 H1620 S1624 R1625 M1834 | V1343-A1622 WeakPolarHBondContact O-CB 3.41Å; V1343-A1622 PolarHBondContact O-N 2.89Å; H1620-A1622 PolarHBondContact O-N 3.15Å; A1622-S1624 PolarHBondContact O-N 3.09Å; A1622-S1624 VanDerWaalsContact O-N 3.13Å; A1622-R1625 HydrophobicContact CB-CB 4.33Å; A1622-R1625 HydrophobicContact CB-CG 4.48Å; A1622-R1625 CarbonylContact O-C 3.53Å; A1622-R1625 PolarHBondContact O-N 3.1Å; A1622-M1834 HydrophobicContact CB-CE 3.38Å; A1622-M1834 VanDerWaalsContact CB-CE 3.43Å; A1622-M1834 HydrophobicContact CB-SD 4.16Å | ||
| 1623 | P | 79.3 | Confident | 86.2 | Confident | 85.6 Ų | 85.6 | 39.7 Ų | 39.7 | 56% | 0.556 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -8 | -177 | 18.3 | -21.4 | 0 | 0 | 0 | 112.6 | P1621 R1625 L1654 | P1621-P1623 VanDerWaalsContact O-CD 3.26Å; P1621-P1623 WeakPolarHBondContact O-CD 3.39Å; P1623-R1625 VanDerWaalsContact C-N 3.26Å; P1623-R1625 PolarHBondContact O-N 3.1Å; P1623-L1654 HydrophobicContact CB-CD1 3.9Å; P1623-L1654 HydrophobicContact CG-CD1 4.31Å |
| 1624 | S | 79.4 | Confident | 87.2 | Confident | 87.4 Ų | 87.4 | 38.9 Ų | 38.9 | 61% | 0.611 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -15 | 173.4 | 54.8 | 0 | 0 | 0 | 0 | 114 | A1622 P1626 | A1622-S1624 PolarHBondContact O-N 3.09Å; A1622-S1624 VanDerWaalsContact O-N 3.13Å; S1624-P1626 WeakPolarHBondContact O-CD 3.37Å |
| 1625 | R | 82.8 | Confident | 87.6 | Confident | 138.2 Ų | 138.2 | 38.1 Ų | 38.1 | 52% | 0.522 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -119 | 82.8 | -176.3 | -65.5 | -79.2 | -175.5 | 162.6 | 0.1 | 110.8 | V1343 A1622 P1623 I1627 M1834 | V1343-R1625 HydrophobicContact CB-CB 3.99Å; V1343-R1625 HydrophobicContact CB-CG 4.32Å; V1343-R1625 HydrophobicContact CG1-CB 4.41Å; V1343-R1625 HydrophobicContact CG1-CG 4.28Å; V1343-R1625 HydrophobicContact CG2-CB 4.29Å; V1343-R1625 HydrophobicContact CG2-CG 4.47Å; A1622-R1625 HydrophobicContact CB-CB 4.33Å; A1622-R1625 HydrophobicContact CB-CG 4.48Å; A1622-R1625 CarbonylContact O-C 3.53Å; A1622-R1625 PolarHBondContact O-N 3.1Å; P1623-R1625 VanDerWaalsContact C-N 3.26Å; P1623-R1625 PolarHBondContact O-N 3.1Å; R1625-I1627 PolarHBondContact O-N 2.99Å; R1625-M1834 HydrophobicContact CG-CE 3.99Å |
| 1626 | P | 85.3 | Confident | 87.3 | Confident | 9.4 Ų | 9.4 | 41.1 Ų | 41.1 | 6% | 0.061 | 20% | 0.203 | C | C | . | . | trans | -63.6 | 150.1 | 173.8 | 26.9 | -33.7 | 0 | 0 | 0 | 111.3 | I1337 N1339 S1624 Y1628 R1629 L1650 V1651 | I1337-P1626 HydrophobicContact CB-CG 4.4Å; I1337-P1626 HydrophobicContact CD1-CG 3.93Å; I1337-P1626 HydrophobicContact CG2-CG 4.08Å; N1339-P1626 PolarHBondContact ND2-O 3.09Å; S1624-P1626 WeakPolarHBondContact O-CD 3.37Å; P1626-Y1628 VanDerWaalsContact C-N 3.31Å; P1626-R1629 HydrophobicContact CB-CG 4.22Å; P1626-R1629 HydrophobicContact CG-CB 4.48Å; P1626-R1629 HydrophobicContact CG-CG 3.91Å; P1626-L1650 CarbonylContact C-O 3.56Å; P1626-L1650 WeakPolarHBondContact CA-O 3.38Å; P1626-L1650 WeakPolarHBondContact CB-O 3.29Å; P1626-V1651 HydrophobicContact CB-CG2 4.01Å | ||
| 1627 | I | 86.6 | Confident | 86.8 | Confident | 12.4 Ų | 12.4 | 46.8 Ų | 46.8 | 6% | 0.064 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -65.1 | -43.4 | 175.1 | -61 | -71.5 | 0 | 0 | 0 | 110.1 | N1339 L1340 P1342 R1625 L1650 L1652 I1688 Y1700 | N1339-I1627 CarbonylContact C-O 3.56Å; N1339-I1627 PolarHBondContact N-O 3.25Å; N1339-I1627 WeakPolarHBondContact O-CA 3.36Å; N1339-I1627 WeakPolarHBondContact O-CD1 3.33Å; L1340-I1627 HydrophobicContact CD2-CG2 4.48Å; P1342-I1627 HydrophobicContact CB-CD1 4.42Å; P1342-I1627 HydrophobicContact CG-CD1 4.22Å; R1625-I1627 PolarHBondContact O-N 2.99Å; I1627-L1650 HydrophobicContact CB-CB 4.39Å; I1627-L1650 HydrophobicContact CB-CD2 4.14Å; I1627-L1650 HydrophobicContact CB-CG 4.25Å; I1627-L1650 HydrophobicContact CD1-CD2 3.98Å; I1627-L1650 HydrophobicContact CD1-CG 4.24Å; I1627-L1650 HydrophobicContact CG1-CD2 4.37Å; I1627-L1650 HydrophobicContact CG1-CG 4.43Å; I1627-L1650 HydrophobicContact CG2-CD2 4.32Å; I1627-L1650 PolarHBondContact N-O 2.96Å; I1627-L1652 HydrophobicContact CD1-CD1 3.92Å; I1627-L1652 HydrophobicContact CD1-CG 4.19Å; I1627-L1652 HydrophobicContact CG1-CD1 4.11Å; I1627-L1652 HydrophobicContact CG1-CD2 4.35Å; I1627-L1652 HydrophobicContact CG1-CG 4.01Å; I1627-I1688 HydrophobicContact CD1-CD1 3.78Å; I1627-Y1700 HydrophobicContact CD1-CD1 4.21Å; I1627-Y1700 HydrophobicContact CD1-CE1 4.21Å; I1627-Y1700 HydrophobicContact CG1-CE1 4.16Å; I1627-Y1700 HydrophobicContact CG2-CD1 4.33Å; I1627-Y1700 HydrophobicContact CG2-CD2 3.82Å; I1627-Y1700 HydrophobicContact CG2-CE1 4.3Å; I1627-Y1700 HydrophobicContact CG2-CE2 3.68Å; I1627-Y1700 HydrophobicContact CG2-CG 4.01Å |
| 1628 | Y | 88.6 | Confident | 86.1 | Confident | 19.2 Ų | 19.2 | 49.1 Ų | 49.1 | 8% | 0.075 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 151.4 | 167.7 | 55.6 | -89.4 | 0 | 0 | 0 | 111.2 | I1337 P1626 L1630 A1648 S1649 L1650 Q1690 Y1692 I1698 Y1700 L1846 | I1337-Y1628 CarbonylContact O-C 3.55Å; I1337-Y1628 VanDerWaalsContact O-CA 3.25Å; I1337-Y1628 WeakPolarHBondContact O-CA 3.34Å; P1626-Y1628 VanDerWaalsContact C-N 3.31Å; Y1628-L1630 HydrophobicContact CD2-CD2 3.78Å; Y1628-L1630 HydrophobicContact CD2-CG 4.14Å; Y1628-L1630 HydrophobicContact CE2-CD2 4.16Å; Y1628-L1630 HydrophobicContact CE2-CG 4.3Å; Y1628-A1648 HydrophobicContact CE2-CB 4.17Å; Y1628-S1649 CarbonylContact O-C 3.54Å; Y1628-S1649 VanDerWaalsContact O-CA 3.26Å; Y1628-S1649 WeakPolarHBondContact O-CA 3.4Å; Y1628-S1649 WeakPolarHBondContact O-CB 3.42Å; Y1628-L1650 HydrophobicContact CD1-CB 3.73Å; Y1628-L1650 HydrophobicContact CD1-CD2 4.39Å; Y1628-L1650 HydrophobicContact CD2-CD2 4.14Å; Y1628-L1650 HydrophobicContact CE1-CB 3.28Å; Y1628-L1650 HydrophobicContact CE1-CD2 3.97Å; Y1628-L1650 HydrophobicContact CE1-CG 4.28Å; Y1628-L1650 HydrophobicContact CE2-CB 4.25Å; Y1628-L1650 HydrophobicContact CG-CB 4.43Å; Y1628-L1650 PolarHBondContact O-N 3.1Å; Y1628-Q1690 PolarHBondContact OH-OE1 3.05Å; Y1628-Y1692 WeakPolarHBondContact OH-CE2 3.37Å; Y1628-Y1692 PolarHBondContact OH-OH 3.09Å; Y1628-Y1692 VanDerWaalsContact OH-OH 3.09Å; Y1628-I1698 HydrophobicContact CE1-CG2 3.73Å; Y1628-I1698 HydrophobicContact CE2-CD1 3.88Å; Y1628-I1698 HydrophobicContact CE2-CG2 4.46Å; Y1628-I1698 WeakPolarHBondContact OH-CD1 3.3Å; Y1628-I1698 WeakPolarHBondContact OH-CG2 3.45Å; Y1628-Y1700 HydrophobicContact CD2-CD2 4.22Å; Y1628-Y1700 HydrophobicContact CD2-CE2 4.48Å; Y1628-Y1700 AromaticContact CE2-CD2 3.8Å; Y1628-Y1700 HydrophobicContact CE2-CD2 3.8Å; Y1628-Y1700 AromaticContact CE2-CE2 3.78Å; Y1628-Y1700 HydrophobicContact CE2-CE2 3.78Å; Y1628-L1846 HydrophobicContact CD1-CD1 3.86Å; Y1628-L1846 HydrophobicContact CD1-CD2 3.93Å; Y1628-L1846 HydrophobicContact CD1-CG 4.43Å; Y1628-L1846 HydrophobicContact CD2-CD1 4.16Å; Y1628-L1846 HydrophobicContact CD2-CD2 4.07Å; Y1628-L1846 HydrophobicContact CE1-CD1 3.9Å; Y1628-L1846 HydrophobicContact CE2-CD2 4.46Å; Y1628-L1846 HydrophobicContact CG-CD2 4.28Å |
| 1629 | R | 90.7 | Very high | 85.5 | Confident | 131 Ų | 131 | 55.3 Ų | 55.3 | 49% | 0.494 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 125.4 | 161.7 | -164.7 | -179.9 | -82.8 | 163.4 | -0.6 | 106.9 | D1336 I1337 P1626 A1648 | D1336-R1629 HydrophobicContact CB-CB 4.37Å; D1336-R1629 HydrophobicContact CB-CG 4.21Å; D1336-R1629 PolarHBondContact N-O 2.97Å; D1336-R1629 WeakPolarHBondContact OD2-CG 3.43Å; I1337-R1629 HydrophobicContact CB-CB 4.05Å; I1337-R1629 HydrophobicContact CD1-CB 4.41Å; I1337-R1629 HydrophobicContact CG1-CB 4.33Å; I1337-R1629 PolarHBondContact N-O 3.19Å; I1337-R1629 PolarHBondContact O-N 3.1Å; P1626-R1629 HydrophobicContact CB-CG 4.22Å; P1626-R1629 HydrophobicContact CG-CB 4.48Å; P1626-R1629 HydrophobicContact CG-CG 3.91Å; R1629-A1648 WeakPolarHBondContact CA-O 3.32Å |
| 1630 | L | 90.7 | Very high | 84.9 | Confident | 8.2 Ų | 8.2 | 59.1 Ų | 59.1 | 4% | 0.043 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 160.6 | -179.7 | 68.2 | 95.9 | 0 | 0 | 0 | 110.7 | L1333 D1334 F1335 Y1628 W1632 P1647 A1648 L1696 I1698 F1848 | L1333-L1630 HydrophobicContact CD2-CD1 4.24Å; D1334-L1630 CarbonylContact O-C 3.46Å; D1334-L1630 WeakPolarHBondContact O-CA 3.36Å; D1334-L1630 VanDerWaalsContact O-CB 3.3Å; D1334-L1630 WeakPolarHBondContact O-CB 3.35Å; F1335-L1630 HydrophobicContact CD1-CB 3.88Å; F1335-L1630 HydrophobicContact CD1-CD2 3.94Å; F1335-L1630 HydrophobicContact CD1-CG 4.48Å; F1335-L1630 HydrophobicContact CE1-CB 4.27Å; F1335-L1630 HydrophobicContact CE1-CD2 3.45Å; F1335-L1630 VanDerWaalsContact CE1-CD2 3.43Å; F1335-L1630 HydrophobicContact CE1-CG 4.45Å; F1335-L1630 HydrophobicContact CE2-CD2 4.49Å; F1335-L1630 HydrophobicContact CG-CB 4.2Å; F1335-L1630 HydrophobicContact CZ-CD2 3.92Å; Y1628-L1630 HydrophobicContact CD2-CD2 3.78Å; Y1628-L1630 HydrophobicContact CD2-CG 4.14Å; Y1628-L1630 HydrophobicContact CE2-CD2 4.16Å; Y1628-L1630 HydrophobicContact CE2-CG 4.3Å; L1630-W1632 HydrophobicContact CD1-CB 4.11Å; L1630-W1632 HydrophobicContact CD1-CG 4.46Å; L1630-P1647 WeakPolarHBondContact O-CA 3.35Å; L1630-A1648 HydrophobicContact CD1-CB 3.87Å; L1630-A1648 HydrophobicContact CD2-CB 3.87Å; L1630-A1648 WeakPolarHBondContact CD2-O 3.41Å; L1630-A1648 HydrophobicContact CG-CB 3.99Å; L1630-A1648 PolarHBondContact N-O 3.23Å; L1630-A1648 PolarHBondContact O-N 3.26Å; L1630-A1648 VanDerWaalsContact O-O 3.09Å; L1630-L1696 HydrophobicContact CD1-CD2 3.78Å; L1630-I1698 HydrophobicContact CD1-CD1 3.92Å; L1630-I1698 HydrophobicContact CD2-CD1 4.18Å; L1630-I1698 HydrophobicContact CG-CD1 4.36Å; L1630-F1848 HydrophobicContact CD1-CE1 4.13Å; L1630-F1848 HydrophobicContact CD2-CE1 3.75Å; L1630-F1848 HydrophobicContact CD2-CZ 4.32Å |
| 1631 | Q | 91.1 | Very high | 84 | Confident | 77.2 Ų | 77.2 | 57.7 Ų | 57.7 | 36% | 0.361 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 138.6 | 167.2 | -63.4 | -179.5 | -4.1 | 0 | 0 | 108.1 | D1334 R1645 F1646 | D1334-Q1631 PolarHBondContact N-O 3.1Å; D1334-Q1631 PolarHBondContact O-N 2.82Å; Q1631-R1645 HydrophobicContact CB-CB 4.42Å; Q1631-R1645 VanDerWaalsContact OE1-NH1 3.14Å; Q1631-F1646 CarbonylContact C-O 3.57Å; Q1631-F1646 VanDerWaalsContact CA-O 3.31Å; Q1631-F1646 WeakPolarHBondContact CA-O 3.27Å |
| 1632 | W | 89.9 | Confident | 83.3 | Confident | 7.4 Ų | 7.4 | 57.7 Ų | 57.7 | 3% | 0.028 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 146.8 | 175.3 | 65.1 | -83.3 | 0 | 0 | 0 | 112.1 | V1331 R1332 L1333 L1630 L1634 F1646 R1693 L1695 L1696 A1859 | V1331-W1632 HydrophobicContact CG1-CB 4.42Å; V1331-W1632 HydrophobicContact CG1-CE3 4.04Å; R1332-W1632 CarbonylContact O-C 3.52Å; R1332-W1632 WeakPolarHBondContact O-CA 3.42Å; R1332-W1632 WeakPolarHBondContact O-CB 3.42Å; L1333-W1632 HydrophobicContact CD2-CB 3.6Å; L1333-W1632 HydrophobicContact CD2-CG 4.49Å; L1630-W1632 HydrophobicContact CD1-CB 4.11Å; L1630-W1632 HydrophobicContact CD1-CG 4.46Å; W1632-L1634 HydrophobicContact CE3-CD2 4.29Å; W1632-L1634 HydrophobicContact CE3-CG 4.45Å; W1632-L1634 HydrophobicContact CZ3-CD1 4.16Å; W1632-L1634 HydrophobicContact CZ3-CD2 3.91Å; W1632-L1634 HydrophobicContact CZ3-CG 4Å; W1632-F1646 HydrophobicContact CD2-CB 3.94Å; W1632-F1646 HydrophobicContact CD2-CD2 4.05Å; W1632-F1646 HydrophobicContact CD2-CG 4.46Å; W1632-F1646 VanDerWaalsContact CE2-CB 3.44Å; W1632-F1646 AromaticContact CE2-CD2 3.99Å; W1632-F1646 AromaticContact CE3-CD2 3.87Å; W1632-F1646 HydrophobicContact CE3-CD2 3.9Å; W1632-F1646 HydrophobicContact CG-CB 4.21Å; W1632-F1646 HydrophobicContact CH2-CB 4.48Å; W1632-F1646 AromaticContact CH2-CD2 3.73Å; W1632-F1646 HydrophobicContact CH2-CD2 3.73Å; W1632-F1646 HydrophobicContact CH2-CE2 4.38Å; W1632-F1646 HydrophobicContact CH2-CG 4.37Å; W1632-F1646 HydrophobicContact CZ2-CB 3.85Å; W1632-F1646 AromaticContact CZ2-CD2 3.88Å; W1632-F1646 HydrophobicContact CZ2-CD2 3.88Å; W1632-F1646 AromaticContact CZ2-CG 3.95Å; W1632-F1646 HydrophobicContact CZ2-CG 4.12Å; W1632-F1646 AromaticContact CZ3-CD2 3.74Å; W1632-F1646 HydrophobicContact CZ3-CD2 3.74Å; W1632-F1646 HydrophobicContact CZ3-CE2 4.31Å; W1632-F1646 PolarHBondContact N-O 3.11Å; W1632-F1646 PolarHBondContact O-N 3.09Å; W1632-R1693 HydrophobicContact CH2-CB 4.37Å; W1632-R1693 HydrophobicContact CH2-CG 4.49Å; W1632-R1693 HydrophobicContact CZ2-CB 4.26Å; W1632-R1693 HydrophobicContact CZ2-CG 4.34Å; W1632-L1695 HydrophobicContact CH2-CB 4.49Å; W1632-L1695 HydrophobicContact CH2-CD2 4.22Å; W1632-L1695 HydrophobicContact CZ3-CD2 4.07Å; W1632-L1696 HydrophobicContact CB-CD2 4.24Å; W1632-L1696 HydrophobicContact CD2-CD2 4.04Å; W1632-L1696 HydrophobicContact CG-CD2 3.75Å; W1632-L1696 HydrophobicContact CZ2-CB 4.48Å; W1632-A1859 HydrophobicContact CH2-CB 4.45Å |
| 1633 | T | 88.4 | Confident | 82.7 | Confident | 23.4 Ų | 23.4 | 62.8 Ų | 62.8 | 14% | 0.144 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 145 | -175.7 | 10.5 | 0 | 0 | 0 | 0 | 110 | R1332 L1635 P1640 D1644 R1645 | R1332-T1633 PolarHBondContact N-O 2.92Å; R1332-T1633 PolarHBondContact O-N 3.01Å; T1633-L1635 HydrophobicContact CG2-CD2 4.46Å; T1633-L1635 WeakPolarHBondContact O-CD1 3.36Å; T1633-P1640 HydrophobicContact CG2-CB 4.25Å; T1633-D1644 PolarHBondContact OG1-O 2.87Å; T1633-R1645 HydrophobicContact CG2-CB 4.14Å; T1633-R1645 HydrophobicContact CG2-CG 3.68Å |
| 1634 | L | 86.7 | Confident | 82.6 | Confident | 6.6 Ų | 6.6 | 62.7 Ų | 62.7 | 4% | 0.035 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 127.9 | 178.8 | -82.1 | 155.3 | 0 | 0 | 0 | 110.7 | V1331 W1632 P1640 L1641 F1646 L1695 L1856 V1860 | V1331-L1634 HydrophobicContact CB-CD2 4.49Å; V1331-L1634 HydrophobicContact CG1-CD2 4.37Å; V1331-L1634 HydrophobicContact CG2-CD1 4.09Å; V1331-L1634 HydrophobicContact CG2-CD2 3.83Å; W1632-L1634 HydrophobicContact CE3-CD2 4.29Å; W1632-L1634 HydrophobicContact CE3-CG 4.45Å; W1632-L1634 HydrophobicContact CZ3-CD1 4.16Å; W1632-L1634 HydrophobicContact CZ3-CD2 3.91Å; W1632-L1634 HydrophobicContact CZ3-CG 4Å; L1634-P1640 WeakPolarHBondContact O-CA 3.31Å; L1634-L1641 HydrophobicContact CB-CD1 4.06Å; L1634-L1641 HydrophobicContact CD2-CD1 3.43Å; L1634-L1641 VanDerWaalsContact CD2-CD1 3.43Å; L1634-L1641 HydrophobicContact CG-CD1 3.71Å; L1634-L1641 PolarHBondContact O-N 3.1Å; L1634-L1641 VanDerWaalsContact O-N 3.1Å; L1634-F1646 HydrophobicContact CD1-CE2 4.31Å; L1634-F1646 HydrophobicContact CG-CE2 4.42Å; L1634-L1695 HydrophobicContact CD1-CD2 4.18Å; L1634-L1695 HydrophobicContact CD2-CD2 4.01Å; L1634-L1695 HydrophobicContact CG-CD2 4.48Å; L1634-L1856 HydrophobicContact CD1-CD2 4.18Å; L1634-L1856 HydrophobicContact CD1-CG 4.26Å; L1634-L1856 HydrophobicContact CD2-CD1 4.03Å; L1634-L1856 HydrophobicContact CD2-CD2 4.3Å; L1634-L1856 HydrophobicContact CD2-CG 4.1Å; L1634-V1860 HydrophobicContact CD1-CG2 3.23Å |
| 1635 | L | 86 | Confident | 82.8 | Confident | 34 Ų | 34 | 65.5 Ų | 65.5 | 18% | 0.178 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 139.5 | 178.1 | -55.6 | 160.9 | 0 | 0 | 0 | 110.1 | I1322 Y1329 Q1330 R1332 T1633 R1639 P1640 | I1322-L1635 HydrophobicContact CD1-CD1 4.47Å; Y1329-L1635 CarbonylContact C-O 3.42Å; Y1329-L1635 WeakPolarHBondContact CA-O 3.32Å; Q1330-L1635 HydrophobicContact CB-CB 4.2Å; Q1330-L1635 HydrophobicContact CB-CD1 4.41Å; Q1330-L1635 PolarHBondContact N-O 3.07Å; Q1330-L1635 WeakPolarHBondContact O-CB 3.39Å; Q1330-L1635 PolarHBondContact O-N 3.38Å; R1332-L1635 HydrophobicContact CB-CD1 3.89Å; R1332-L1635 HydrophobicContact CB-CG 4.27Å; T1633-L1635 HydrophobicContact CG2-CD2 4.46Å; T1633-L1635 WeakPolarHBondContact O-CD1 3.36Å; L1635-R1639 CarbonylContact C-O 3.56Å; L1635-R1639 VanDerWaalsContact CA-O 3.27Å; L1635-R1639 WeakPolarHBondContact CA-O 3.35Å; L1635-P1640 HydrophobicContact CD2-CB 4.26Å |
| 1636 | Y | 81.9 | Confident | 83 | Confident | 69.6 Ų | 69.6 | 59.6 Ų | 59.6 | 27% | 0.273 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 124.7 | 167 | -179.3 | -107.4 | 0 | 0 | 0 | 108.8 | Y1288 G1328 Y1329 G1638 R1639 L1641 | Y1288-Y1636 WeakPolarHBondContact CE1-OH 3.41Å; Y1288-Y1636 PolarHBondContact OH-OH 3.33Å; G1328-Y1636 WeakPolarHBondContact O-CA 3.35Å; G1328-Y1636 WeakPolarHBondContact O-CD2 3.26Å; Y1329-Y1636 AromaticContact CD1-CD2 3.83Å; Y1329-Y1636 HydrophobicContact CD1-CD2 3.83Å; Y1329-Y1636 HydrophobicContact CD1-CG 4.43Å; Y1329-Y1636 AromaticContact CD2-CD2 3.85Å; Y1329-Y1636 HydrophobicContact CD2-CD2 3.95Å; Y1329-Y1636 HydrophobicContact CD2-CE2 4.22Å; Y1329-Y1636 AromaticContact CE1-CD2 3.58Å; Y1329-Y1636 HydrophobicContact CE1-CD2 3.58Å; Y1329-Y1636 VanDerWaalsContact CE1-CD2 3.47Å; Y1329-Y1636 HydrophobicContact CE1-CE2 4.23Å; Y1329-Y1636 HydrophobicContact CE1-CG 4.2Å; Y1329-Y1636 AromaticContact CE2-CD2 3.69Å; Y1329-Y1636 HydrophobicContact CE2-CD2 3.69Å; Y1329-Y1636 AromaticContact CE2-CE2 3.73Å; Y1329-Y1636 HydrophobicContact CE2-CE2 3.73Å; Y1329-Y1636 AromaticContact CG-CD2 3.9Å; Y1329-Y1636 HydrophobicContact CG-CD2 4.02Å; Y1329-Y1636 HydrophobicContact CG-CE2 4.49Å; Y1329-Y1636 AromaticContact CZ-CD2 3.5Å; Y1329-Y1636 VanDerWaalsContact CZ-CD2 3.45Å; Y1329-Y1636 AromaticContact CZ-CE2 3.81Å; Y1636-G1638 PolarHBondContact O-N 3.13Å; Y1636-G1638 VanDerWaalsContact O-N 3.12Å; Y1636-R1639 PolarHBondContact N-O 3.14Å; Y1636-R1639 PolarHBondContact O-N 3.05Å; Y1636-R1639 VanDerWaalsContact O-O 3.05Å; Y1636-L1641 HydrophobicContact CG-CD2 4.38Å |
| 1637 | Q | 78.5 | Confident | 83.2 | Confident | 131.6 Ų | 131.6 | 64 Ų | 64 | 62% | 0.615 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 37.9 | -176.2 | -57.7 | 179.7 | -6 | 0 | 0 | 112.9 | G1328 R1639 | G1328-Q1637 PolarHBondContact O-N 3.12Å; Q1637-R1639 VanDerWaalsContact C-N 3.31Å; Q1637-R1639 PolarHBondContact O-N 3Å |
| 1638 | G | 77.6 | Confident | 83.3 | Confident | 50.4 Ų | 50.4 | 63.5 Ų | 63.5 | 52% | 0.52 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | -1.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y1636 | Y1636-G1638 PolarHBondContact O-N 3.13Å; Y1636-G1638 VanDerWaalsContact O-N 3.12Å |
| 1639 | R | 80.2 | Confident | 83.2 | Confident | 166.4 Ų | 166.4 | 65.1 Ų | 65.1 | 63% | 0.628 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 143 | 176.7 | -63.6 | -177.1 | 179.5 | -152.5 | -0.4 | 111.2 | L1635 Y1636 Q1637 L1641 L1892 | L1635-R1639 CarbonylContact C-O 3.56Å; L1635-R1639 VanDerWaalsContact CA-O 3.27Å; L1635-R1639 WeakPolarHBondContact CA-O 3.35Å; Y1636-R1639 PolarHBondContact N-O 3.14Å; Y1636-R1639 PolarHBondContact O-N 3.05Å; Y1636-R1639 VanDerWaalsContact O-O 3.05Å; Q1637-R1639 VanDerWaalsContact C-N 3.31Å; Q1637-R1639 PolarHBondContact O-N 3Å; R1639-L1641 PolarHBondContact O-N 3.15Å; R1639-L1892 PolarHBondContact NH1-O 3.27Å; R1639-L1892 PolarHBondContact NH2-O 2.8Å |
| 1640 | P | 77.4 | Confident | 83 | Confident | 87.4 Ų | 87.4 | 59 Ų | 59 | 57% | 0.568 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 131.5 | 175.3 | 27.8 | -33.7 | 0 | 0 | 0 | 110.7 | T1633 L1634 L1635 T1642 | T1633-P1640 HydrophobicContact CG2-CB 4.25Å; L1634-P1640 WeakPolarHBondContact O-CA 3.31Å; L1635-P1640 HydrophobicContact CD2-CB 4.26Å; P1640-T1642 VanDerWaalsContact C-N 3.3Å |
| 1641 | L | 70.2 | Confident | 82.6 | Confident | 31.8 Ų | 31.8 | 61.5 Ų | 61.5 | 17% | 0.166 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -72.7 | -42.8 | 176.7 | -81.8 | 152.1 | 0 | 0 | 0 | 111.7 | W1293 Y1329 L1634 Y1636 R1639 L1856 F2022 | W1293-L1641 HydrophobicContact CD2-CD2 3.84Å; W1293-L1641 VanDerWaalsContact CD2-CD2 3.47Å; W1293-L1641 VanDerWaalsContact CE2-CD2 3.45Å; W1293-L1641 HydrophobicContact CE3-CB 4.38Å; W1293-L1641 HydrophobicContact CE3-CD2 3.92Å; W1293-L1641 HydrophobicContact CG-CD2 4.05Å; W1293-L1641 VanDerWaalsContact CH2-C 3.45Å; W1293-L1641 HydrophobicContact CH2-CB 3.88Å; W1293-L1641 HydrophobicContact CH2-CD2 4.3Å; W1293-L1641 WeakPolarHBondContact CH2-O 3.45Å; W1293-L1641 HydrophobicContact CZ2-CB 4.19Å; W1293-L1641 HydrophobicContact CZ2-CD2 4.01Å; W1293-L1641 VanDerWaalsContact CZ2-O 3.24Å; W1293-L1641 WeakPolarHBondContact CZ2-O 3.44Å; W1293-L1641 HydrophobicContact CZ3-CB 4.03Å; W1293-L1641 HydrophobicContact CZ3-CD2 4.23Å; Y1329-L1641 HydrophobicContact CD1-CD1 3.66Å; Y1329-L1641 HydrophobicContact CE1-CD1 3.64Å; Y1329-L1641 HydrophobicContact CE1-CD2 4.07Å; Y1329-L1641 HydrophobicContact CE1-CG 4.45Å; L1634-L1641 HydrophobicContact CB-CD1 4.06Å; L1634-L1641 HydrophobicContact CD2-CD1 3.43Å; L1634-L1641 VanDerWaalsContact CD2-CD1 3.43Å; L1634-L1641 HydrophobicContact CG-CD1 3.71Å; L1634-L1641 PolarHBondContact O-N 3.1Å; L1634-L1641 VanDerWaalsContact O-N 3.1Å; Y1636-L1641 HydrophobicContact CG-CD2 4.38Å; R1639-L1641 PolarHBondContact O-N 3.15Å; L1641-L1856 HydrophobicContact CD1-CD2 3.8Å; L1641-F2022 HydrophobicContact CD2-CE1 4.36Å |
| 1642 | T | 72.4 | Confident | 82 | Confident | 17.4 Ų | 17.4 | 58.9 Ų | 58.9 | 11% | 0.107 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -123.7 | 152.9 | 176.1 | 56.6 | 0 | 0 | 0 | 0 | 109.2 | W1293 P1640 D1644 V1860 F1861 | W1293-T1642 HydrophobicContact CH2-CG2 3.75Å; W1293-T1642 HydrophobicContact CZ3-CG2 4.03Å; P1640-T1642 VanDerWaalsContact C-N 3.3Å; T1642-D1644 WeakPolarHBondContact CB-OD2 3.4Å; T1642-D1644 PolarHBondContact O-N 3.19Å; T1642-D1644 WeakPolarHBondContact OG1-CB 3.15Å; T1642-D1644 VanDerWaalsContact OG1-CG 3.31Å; T1642-D1644 PolarHBondContact OG1-N 3.41Å; T1642-D1644 PolarHBondContact OG1-OD2 2.72Å; T1642-V1860 HydrophobicContact CG2-CG1 3.85Å; T1642-F1861 HydrophobicContact CG2-CE1 4.2Å; T1642-F1861 HydrophobicContact CG2-CZ 4.24Å |
| 1643 | P | 73.9 | Confident | 80.9 | Confident | 124.4 Ų | 124.4 | 61.3 Ų | 61.3 | 81% | 0.808 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -67.9 | -13.7 | 169.2 | 30.2 | -35.3 | 0 | 0 | 0 | 112.5 | R1645 | P1643-R1645 PolarHBondContact O-N 2.79Š|
| 1644 | D | 76.2 | Confident | 79.3 | Confident | 84 Ų | 84 | 64.5 Ų | 64.5 | 45% | 0.449 | 35% | 0.35 | S | S | . | . | trans | -67.2 | 139.2 | -173.6 | -58.8 | -32 | 0 | 0 | 0 | 113 | T1633 T1642 F1646 | T1633-D1644 PolarHBondContact OG1-O 2.87Å; T1642-D1644 WeakPolarHBondContact CB-OD2 3.4Å; T1642-D1644 PolarHBondContact O-N 3.19Å; T1642-D1644 WeakPolarHBondContact OG1-CB 3.15Å; T1642-D1644 VanDerWaalsContact OG1-CG 3.31Å; T1642-D1644 PolarHBondContact OG1-N 3.41Å; T1642-D1644 PolarHBondContact OG1-OD2 2.72Å; D1644-F1646 HydrophobicContact CB-CD1 4.42Å; D1644-F1646 HydrophobicContact CB-CE1 3.77Å; D1644-F1646 HydrophobicContact CB-CE2 4.27Å; D1644-F1646 HydrophobicContact CB-CZ 3.83Å | ||
| 1645 | R | 84.2 | Confident | 77.5 | Confident | 145.4 Ų | 145.4 | 68.2 Ų | 68.2 | 55% | 0.549 | 38% | 0.377 | S | S | . | . | trans | -116.1 | 124.3 | 171.4 | -57.3 | -167.6 | 171.4 | -147.8 | -5.8 | 108.9 | D1334 Q1631 T1633 P1643 P1647 | D1334-R1645 IonicContact OD2-CZ 3.28Å; D1334-R1645 IonicContact OD2-NH1 3.3Å; D1334-R1645 PolarHBondContact OD2-NH1 3.28Å; D1334-R1645 IonicContact OD2-NH2 2.89Å; D1334-R1645 PolarHBondContact OD2-NH2 2.93Å; Q1631-R1645 HydrophobicContact CB-CB 4.42Å; Q1631-R1645 VanDerWaalsContact OE1-NH1 3.14Å; T1633-R1645 HydrophobicContact CG2-CB 4.14Å; T1633-R1645 HydrophobicContact CG2-CG 3.68Å; P1643-R1645 PolarHBondContact O-N 2.79Å; R1645-P1647 WeakPolarHBondContact O-CD 3.5Å | ||
| 1646 | F | 86.4 | Confident | 75 | Confident | 14 Ų | 14 | 70.2 Ų | 70.2 | 6% | 0.061 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 122.3 | -176.9 | -54.5 | -54.7 | 0 | 0 | 0 | 110 | Q1631 W1632 L1634 D1644 R1693 V1860 | Q1631-F1646 CarbonylContact C-O 3.57Å; Q1631-F1646 VanDerWaalsContact CA-O 3.31Å; Q1631-F1646 WeakPolarHBondContact CA-O 3.27Å; W1632-F1646 HydrophobicContact CD2-CB 3.94Å; W1632-F1646 HydrophobicContact CD2-CD2 4.05Å; W1632-F1646 HydrophobicContact CD2-CG 4.46Å; W1632-F1646 VanDerWaalsContact CE2-CB 3.44Å; W1632-F1646 AromaticContact CE2-CD2 3.99Å; W1632-F1646 AromaticContact CE3-CD2 3.87Å; W1632-F1646 HydrophobicContact CE3-CD2 3.9Å; W1632-F1646 HydrophobicContact CG-CB 4.21Å; W1632-F1646 HydrophobicContact CH2-CB 4.48Å; W1632-F1646 AromaticContact CH2-CD2 3.73Å; W1632-F1646 HydrophobicContact CH2-CD2 3.73Å; W1632-F1646 HydrophobicContact CH2-CE2 4.38Å; W1632-F1646 HydrophobicContact CH2-CG 4.37Å; W1632-F1646 HydrophobicContact CZ2-CB 3.85Å; W1632-F1646 AromaticContact CZ2-CD2 3.88Å; W1632-F1646 HydrophobicContact CZ2-CD2 3.88Å; W1632-F1646 AromaticContact CZ2-CG 3.95Å; W1632-F1646 HydrophobicContact CZ2-CG 4.12Å; W1632-F1646 AromaticContact CZ3-CD2 3.74Å; W1632-F1646 HydrophobicContact CZ3-CD2 3.74Å; W1632-F1646 HydrophobicContact CZ3-CE2 4.31Å; W1632-F1646 PolarHBondContact N-O 3.11Å; W1632-F1646 PolarHBondContact O-N 3.09Å; L1634-F1646 HydrophobicContact CD1-CE2 4.31Å; L1634-F1646 HydrophobicContact CG-CE2 4.42Å; D1644-F1646 HydrophobicContact CB-CD1 4.42Å; D1644-F1646 HydrophobicContact CB-CE1 3.77Å; D1644-F1646 HydrophobicContact CB-CE2 4.27Å; D1644-F1646 HydrophobicContact CB-CZ 3.83Å; F1646-R1693 VanDerWaalsContact CD1-NH2 3.32Å; F1646-R1693 VanDerWaalsContact CE1-NH1 3.34Å; F1646-R1693 VanDerWaalsContact CE1-NH2 3.27Å; F1646-V1860 HydrophobicContact CE2-CG2 4.45Å |
| 1647 | P | 90.5 | Very high | 72.6 | Confident | 102 Ų | 102 | 73.9 Ų | 73.9 | 66% | 0.662 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 144.3 | 178.4 | 31.1 | -34.1 | 0 | 0 | 0 | 111.1 | L1630 R1645 | L1630-P1647 WeakPolarHBondContact O-CA 3.35Å; R1645-P1647 WeakPolarHBondContact O-CD 3.5Å |
| 1648 | A | 86.9 | Confident | 70.4 | Confident | 2.2 Ų | 2.2 | 72.9 Ų | 72.9 | 2% | 0.018 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 136.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y1628 R1629 L1630 Y1692 I1698 | Y1628-A1648 HydrophobicContact CE2-CB 4.17Å; R1629-A1648 WeakPolarHBondContact CA-O 3.32Å; L1630-A1648 HydrophobicContact CD1-CB 3.87Å; L1630-A1648 HydrophobicContact CD2-CB 3.87Å; L1630-A1648 WeakPolarHBondContact CD2-O 3.41Å; L1630-A1648 HydrophobicContact CG-CB 3.99Å; L1630-A1648 PolarHBondContact N-O 3.23Å; L1630-A1648 PolarHBondContact O-N 3.26Å; L1630-A1648 VanDerWaalsContact O-O 3.09Å; A1648-Y1692 HydrophobicContact CB-CD1 3.82Å; A1648-Y1692 HydrophobicContact CB-CD2 3.99Å; A1648-Y1692 HydrophobicContact CB-CE1 3.63Å; A1648-Y1692 HydrophobicContact CB-CE2 3.8Å; A1648-Y1692 HydrophobicContact CB-CG 4Å; A1648-Y1692 VanDerWaalsContact CB-CZ 3.46Å; A1648-I1698 HydrophobicContact CB-CD1 4.11Å |
| 1649 | S | 88 | Confident | 68 | Low | 52.2 Ų | 52.2 | 80.4 Ų | 80.4 | 37% | 0.365 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 134.1 | -178.2 | 62.3 | 0 | 0 | 0 | 0 | 112.5 | Y1628 V1651 Y1692 | Y1628-S1649 CarbonylContact O-C 3.54Å; Y1628-S1649 VanDerWaalsContact O-CA 3.26Å; Y1628-S1649 WeakPolarHBondContact O-CA 3.4Å; Y1628-S1649 WeakPolarHBondContact O-CB 3.42Å; S1649-V1651 PolarHBondContact O-N 3.44Å; S1649-Y1692 PolarHBondContact N-OH 3.08Å; S1649-Y1692 VanDerWaalsContact N-OH 3.14Å; S1649-Y1692 PolarHBondContact O-OH 3.15Å; S1649-Y1692 VanDerWaalsContact O-OH 3.1Å |
| 1650 | L | 85.7 | Confident | 65.6 | Low | 3.8 Ų | 3.8 | 80.3 Ų | 80.3 | 2% | 0.02 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 111.3 | 175.1 | 177.7 | 64.9 | 0 | 0 | 0 | 110.4 | P1626 I1627 Y1628 I1688 Q1690 Y1692 Y1700 L1846 | P1626-L1650 CarbonylContact C-O 3.56Å; P1626-L1650 WeakPolarHBondContact CA-O 3.38Å; P1626-L1650 WeakPolarHBondContact CB-O 3.29Å; I1627-L1650 HydrophobicContact CB-CB 4.39Å; I1627-L1650 HydrophobicContact CB-CD2 4.14Å; I1627-L1650 HydrophobicContact CB-CG 4.25Å; I1627-L1650 HydrophobicContact CD1-CD2 3.98Å; I1627-L1650 HydrophobicContact CD1-CG 4.24Å; I1627-L1650 HydrophobicContact CG1-CD2 4.37Å; I1627-L1650 HydrophobicContact CG1-CG 4.43Å; I1627-L1650 HydrophobicContact CG2-CD2 4.32Å; I1627-L1650 PolarHBondContact N-O 2.96Å; Y1628-L1650 HydrophobicContact CD1-CB 3.73Å; Y1628-L1650 HydrophobicContact CD1-CD2 4.39Å; Y1628-L1650 HydrophobicContact CD2-CD2 4.14Å; Y1628-L1650 HydrophobicContact CE1-CB 3.28Å; Y1628-L1650 HydrophobicContact CE1-CD2 3.97Å; Y1628-L1650 HydrophobicContact CE1-CG 4.28Å; Y1628-L1650 HydrophobicContact CE2-CB 4.25Å; Y1628-L1650 HydrophobicContact CG-CB 4.43Å; Y1628-L1650 PolarHBondContact O-N 3.1Å; L1650-I1688 HydrophobicContact CD1-CB 4.49Å; L1650-I1688 HydrophobicContact CD1-CD1 4.39Å; L1650-I1688 HydrophobicContact CD1-CG2 3.99Å; L1650-I1688 HydrophobicContact CD2-CB 4.4Å; L1650-I1688 HydrophobicContact CD2-CD1 4.47Å; L1650-I1688 HydrophobicContact CD2-CG2 4.46Å; L1650-Q1690 HydrophobicContact CD1-CB 4.39Å; L1650-Q1690 HydrophobicContact CD1-CG 4.35Å; L1650-Y1692 PolarHBondContact N-OH 2.75Å; L1650-Y1700 HydrophobicContact CD2-CD1 3.87Å; L1650-Y1700 HydrophobicContact CD2-CD2 4.05Å; L1650-Y1700 HydrophobicContact CD2-CG 3.85Å; L1650-L1846 HydrophobicContact CD2-CD1 4.31Å |
| 1651 | V | 82.3 | Confident | 63.4 | Low | 59.6 Ų | 59.6 | 83.3 Ų | 83.3 | 36% | 0.361 | 46% | 0.456 | S | S | . | . | trans | -104.1 | 133.4 | 166.6 | -177.7 | 0 | 0 | 0 | 0 | 107.4 | P1626 S1649 P1653 Q1690 | P1626-V1651 HydrophobicContact CB-CG2 4.01Å; S1649-V1651 PolarHBondContact O-N 3.44Å; V1651-P1653 WeakPolarHBondContact O-CD 3.23Å; V1651-Q1690 PolarHBondContact O-NE2 2.97Å | ||
| 1652 | L | 78.5 | Confident | 61.6 | Low | 23.8 Ų | 23.8 | 87.6 Ų | 87.6 | 13% | 0.125 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 131.4 | 173.7 | -72 | 167 | 0 | 0 | 0 | 109.6 | P1342 P1621 I1627 W1674 I1688 Y1700 L1707 | P1342-L1652 HydrophobicContact CB-CD1 3.69Å; P1342-L1652 HydrophobicContact CG-CD1 3.9Å; P1621-L1652 HydrophobicContact CB-CB 3.89Å; P1621-L1652 HydrophobicContact CG-CB 4.23Å; I1627-L1652 HydrophobicContact CD1-CD1 3.92Å; I1627-L1652 HydrophobicContact CD1-CG 4.19Å; I1627-L1652 HydrophobicContact CG1-CD1 4.11Å; I1627-L1652 HydrophobicContact CG1-CD2 4.35Å; I1627-L1652 HydrophobicContact CG1-CG 4.01Å; L1652-W1674 HydrophobicContact CD2-CH2 4.46Å; L1652-W1674 HydrophobicContact CD2-CZ2 4.46Å; L1652-I1688 HydrophobicContact CD2-CD1 3.58Å; L1652-I1688 VanDerWaalsContact CD2-CD1 3.49Å; L1652-I1688 HydrophobicContact CG-CD1 3.98Å; L1652-Y1700 HydrophobicContact CD2-CE1 4.41Å; L1652-L1707 HydrophobicContact CD1-CD1 4.09Å; L1652-L1707 HydrophobicContact CD1-CD2 4.45Å |
| 1653 | P | 66.9 | Low | 59.6 | Low | 57.2 Ų | 57.2 | 93.7 Ų | 93.7 | 37% | 0.371 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 146.4 | -178.5 | 27.9 | -33.4 | 0 | 0 | 0 | 111 | P1621 V1651 S1655 W1674 L1680 | P1621-P1653 WeakPolarHBondContact CG-O 3.32Å; V1651-P1653 WeakPolarHBondContact O-CD 3.23Å; P1653-S1655 PolarHBondContact O-N 3.1Å; P1653-W1674 HydrophobicContact CG-CD2 4.18Å; P1653-W1674 VanDerWaalsContact CG-CE2 3.44Å; P1653-W1674 HydrophobicContact CG-CG 4.33Å; P1653-W1674 HydrophobicContact CG-CZ2 3.77Å; P1653-L1680 HydrophobicContact CB-CD1 4.42Å; P1653-L1680 HydrophobicContact CG-CD1 3.72Å |
| 1654 | L | 55.4 | Low | 57.7 | Low | 90.4 Ų | 90.4 | 97 Ų | 97 | 47% | 0.473 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 126.9 | 171.3 | -140 | 69.6 | 0 | 0 | 0 | 108.9 | H1620 P1621 P1623 S1656 | H1620-L1654 HydrophobicContact CB-CD1 3.99Å; H1620-L1654 VanDerWaalsContact CB-CD1 3.47Å; H1620-L1654 HydrophobicContact CB-CG 4.2Å; H1620-L1654 WeakPolarHBondContact ND1-CD1 3.31Å; P1621-L1654 WeakPolarHBondContact O-CD1 3.31Å; P1623-L1654 HydrophobicContact CB-CD1 3.9Å; P1623-L1654 HydrophobicContact CG-CD1 4.31Å; L1654-S1656 PolarHBondContact O-N 3.04Å |
| 1655 | S | 47.5 | Very low | 55.7 | Low | 84.8 Ų | 84.8 | 100.5 Ų | 100.5 | 59% | 0.593 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -71.4 | 50.8 | -178.7 | 10.6 | 0 | 0 | 0 | 0 | 112.7 | P1653 I1657 | P1653-S1655 PolarHBondContact O-N 3.1Å; S1655-I1657 PolarHBondContact O-N 2.82Å |
| 1656 | S | 34.1 | Very low | 53 | Low | 75.2 Ų | 75.2 | 97.2 Ų | 97.2 | 53% | 0.526 | 55% | 0.552 | S | S | . | * | trans | -130.9 | 80.8 | -176.6 | 64.4 | 0 | 0 | 0 | 0 | 113.1 | L1654 T1658 | L1654-S1656 PolarHBondContact O-N 3.04Å; S1656-T1658 VanDerWaalsContact C-N 3.31Å; S1656-T1658 PolarHBondContact O-N 2.98Å; S1656-T1658 VanDerWaalsContact O-N 3.17Å | ||
| 1657 | I | 31.7 | Very low | 50.5 | Low | 148.6 Ų | 148.6 | 101.7 Ų | 101.7 | 76% | 0.762 | 58% | 0.58 | S | S | * | * | trans | -82.4 | 87.9 | 162.1 | -57.3 | 173.2 | 0 | 0 | 0 | 109.7 | S1655 K1659 | S1655-I1657 PolarHBondContact O-N 2.82Å; I1657-K1659 PolarHBondContact O-N 3.09Å | ||
| 1658 | T | 31.2 | Very low | 47.5 | Very low | 110.2 Ų | 110.2 | 104.2 Ų | 104.2 | 68% | 0.676 | 59% | 0.588 | S | S | * | * | trans | -85.7 | 110.4 | 160.7 | 38.8 | 0 | 0 | 0 | 0 | 111.1 | S1656 E1660 | S1656-T1658 VanDerWaalsContact C-N 3.31Å; S1656-T1658 PolarHBondContact O-N 2.98Å; S1656-T1658 VanDerWaalsContact O-N 3.17Å; T1658-E1660 PolarHBondContact O-N 3.11Å; T1658-E1660 VanDerWaalsContact O-N 3.13Å | ||
| 1659 | K | 27.6 | Very low | 44.9 | Very low | 208.4 Ų | 208.4 | 108.5 Ų | 108.5 | 91% | 0.906 | 61% | 0.614 | S | S | * | * | trans | -72.1 | 71.8 | 169.9 | -81.4 | -176.9 | 174.3 | -177 | 0 | 111.2 | I1657 | I1657-K1659 PolarHBondContact O-N 3.09Š| ||
| 1660 | E | 31.1 | Very low | 42.1 | Very low | 163.4 Ų | 163.4 | 112.7 Ų | 112.7 | 76% | 0.764 | 63% | 0.633 | S | S | * | * | trans | -144.3 | 115.8 | 169.3 | -112 | 165.3 | -165.1 | 0 | 0 | 112 | T1658 | T1658-E1660 PolarHBondContact O-N 3.11Å; T1658-E1660 VanDerWaalsContact O-N 3.13Å | ||
| 1661 | N | 31.4 | Very low | 39.6 | Very low | 150.2 Ų | 150.2 | 118.1 Ų | 118.1 | 80% | 0.803 | 66% | 0.66 | S | S | * | * | trans | 59.2 | 67.5 | 164.7 | -61.8 | -21.8 | 0 | 0 | 0 | 118.6 | D1663 | N1661-D1663 VanDerWaalsContact C-N 3.32Å; N1661-D1663 PolarHBondContact O-N 3.13Å | ||
| 1662 | S | 31.4 | Very low | 37.1 | Very low | 121.6 Ų | 121.6 | 121.6 Ų | 121.6 | 85% | 0.85 | 68% | 0.677 | S | S | * | * | trans | -122.6 | 63.2 | 153.5 | 70.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1663 | D | 31.5 | Very low | 34.7 | Very low | 145.4 Ų | 145.4 | 122.8 Ų | 122.8 | 78% | 0.778 | 70% | 0.695 | S | S | * | * | trans | -76.1 | 135.1 | 170 | -80.5 | -39.6 | 0 | 0 | 0 | 112.2 | N1661 N1665 | N1661-D1663 VanDerWaalsContact C-N 3.32Å; N1661-D1663 PolarHBondContact O-N 3.13Å; D1663-N1665 VanDerWaalsContact C-N 3.27Å; D1663-N1665 PolarHBondContact O-N 2.94Å | ||
| 1664 | K | 33.3 | Very low | 32.8 | Very low | 193.8 Ų | 193.8 | 126.4 Ų | 126.4 | 84% | 0.843 | 70% | 0.701 | S | S | * | * | trans | 71 | 53.9 | 166 | -60.8 | 177.9 | -176.9 | 174.7 | 0 | 118.6 | ||||
| 1665 | N | 34.5 | Very low | 31.4 | Very low | 158.8 Ų | 158.8 | 129.5 Ų | 129.5 | 85% | 0.849 | 72% | 0.718 | S | S | * | * | trans | -152.1 | 106.7 | 152.7 | -80.5 | -22.4 | 0 | 0 | 0 | 112.9 | D1663 V1667 | D1663-N1665 VanDerWaalsContact C-N 3.27Å; D1663-N1665 PolarHBondContact O-N 2.94Å; N1665-V1667 VanDerWaalsContact C-N 3.27Å; N1665-V1667 PolarHBondContact O-N 2.87Å | ||
| 1666 | G | 27.2 | Very low | 30.5 | Very low | 75.8 Ų | 75.8 | 130.9 Ų | 130.9 | 78% | 0.781 | 72% | 0.718 | S | S | * | * | trans | -71.4 | 95.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1667 | V | 32.8 | Very low | 30.1 | Very low | 108.4 Ų | 108.4 | 132.1 Ų | 132.1 | 66% | 0.657 | 73% | 0.733 | S | S | * | * | trans | -124.9 | 100 | 162.2 | -172.1 | 0 | 0 | 0 | 0 | 109.3 | N1665 T1669 | N1665-V1667 VanDerWaalsContact C-N 3.27Å; N1665-V1667 PolarHBondContact O-N 2.87Å; V1667-T1669 VanDerWaalsContact C-N 3.28Å; V1667-T1669 HydrophobicContact CB-CG2 4.3Å; V1667-T1669 HydrophobicContact CG1-CG2 4.03Å; V1667-T1669 PolarHBondContact O-N 3.07Å | ||
| 1668 | N | 29.4 | Very low | 29.8 | Very low | 154.4 Ų | 154.4 | 128.6 Ų | 128.6 | 83% | 0.826 | 73% | 0.734 | S | S | * | * | trans | -66 | 81.1 | 171.8 | -79.8 | -5 | 0 | 0 | 0 | 110.6 | N1670 | N1668-N1670 VanDerWaalsContact C-N 3.27Å; N1668-N1670 PolarHBondContact O-N 3.09Å | ||
| 1669 | T | 32 | Very low | 29.4 | Very low | 92.2 Ų | 92.2 | 126.7 Ų | 126.7 | 57% | 0.566 | 74% | 0.736 | S | S | * | * | trans | -83.3 | 100.6 | 161.9 | 48.4 | 0 | 0 | 0 | 0 | 108.1 | V1667 I1671 | V1667-T1669 VanDerWaalsContact C-N 3.28Å; V1667-T1669 HydrophobicContact CB-CG2 4.3Å; V1667-T1669 HydrophobicContact CG1-CG2 4.03Å; V1667-T1669 PolarHBondContact O-N 3.07Å; T1669-I1671 PolarHBondContact O-N 3.29Å | ||
| 1670 | N | 27.9 | Very low | 29.3 | Very low | 140.8 Ų | 140.8 | 123.8 Ų | 123.8 | 75% | 0.753 | 73% | 0.73 | S | S | * | * | trans | -67.4 | 72.8 | 169.4 | -77.3 | -10 | 0 | 0 | 0 | 109.9 | N1668 N1672 | N1668-N1670 VanDerWaalsContact C-N 3.27Å; N1668-N1670 PolarHBondContact O-N 3.09Å; N1670-N1672 VanDerWaalsContact C-N 3.29Å; N1670-N1672 PolarHBondContact O-N 2.89Å | ||
| 1671 | I | 34 | Very low | 29.1 | Very low | 116.2 Ų | 116.2 | 121.8 Ų | 121.8 | 60% | 0.596 | 73% | 0.734 | S | S | * | * | trans | -82.6 | 103 | 165.2 | -57.2 | 177.5 | 0 | 0 | 0 | 105.7 | T1669 G1673 W1674 | T1669-I1671 PolarHBondContact O-N 3.29Å; I1671-G1673 PolarHBondContact O-N 3.03Å; I1671-W1674 PolarHBondContact O-NE1 3.48Å | ||
| 1672 | N | 30 | Very low | 28.8 | Very low | 134.6 Ų | 134.6 | 117.8 Ų | 117.8 | 72% | 0.72 | 73% | 0.728 | S | S | * | * | trans | -61.9 | 82.6 | 168.7 | -71.6 | -15.5 | 0 | 0 | 0 | 109.3 | N1670 W1674 | N1670-N1672 VanDerWaalsContact C-N 3.29Å; N1670-N1672 PolarHBondContact O-N 2.89Å; N1672-W1674 PolarHBondContact O-N 2.71Å | ||
| 1673 | G | 26.9 | Very low | 28.7 | Very low | 48.6 Ų | 48.6 | 117.9 Ų | 117.9 | 50% | 0.501 | 72% | 0.723 | S | S | . | * | trans | -80.8 | 129.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | I1671 N1675 | I1671-G1673 PolarHBondContact O-N 3.03Å; G1673-N1675 VanDerWaalsContact C-N 3.34Å; G1673-N1675 PolarHBondContact O-N 2.88Å | ||
| 1674 | W | 28.1 | Very low | 29 | Very low | 131.8 Ų | 131.8 | 116.2 Ų | 116.2 | 50% | 0.499 | 72% | 0.723 | S | S | . | * | trans | -75.8 | 95.3 | 174.9 | -68.8 | 56.2 | 0 | 0 | 0 | 109.4 | L1652 P1653 I1671 N1672 L1676 S1686 I1688 E1705 L1707 | L1652-W1674 HydrophobicContact CD2-CH2 4.46Å; L1652-W1674 HydrophobicContact CD2-CZ2 4.46Å; P1653-W1674 HydrophobicContact CG-CD2 4.18Å; P1653-W1674 VanDerWaalsContact CG-CE2 3.44Å; P1653-W1674 HydrophobicContact CG-CG 4.33Å; P1653-W1674 HydrophobicContact CG-CZ2 3.77Å; I1671-W1674 PolarHBondContact O-NE1 3.48Å; N1672-W1674 PolarHBondContact O-N 2.71Å; W1674-L1676 VanDerWaalsContact C-N 3.26Å; W1674-L1676 PolarHBondContact O-N 3.09Å; W1674-S1686 VanDerWaalsContact CE2-OG 3.28Å; W1674-S1686 WeakPolarHBondContact CH2-OG 3.33Å; W1674-S1686 WeakPolarHBondContact CZ2-OG 3.24Å; W1674-S1686 WeakPolarHBondContact CZ3-OG 3.32Å; W1674-I1688 HydrophobicContact CH2-CD1 4.26Å; W1674-I1688 HydrophobicContact CH2-CG1 3.94Å; W1674-I1688 HydrophobicContact CZ2-CB 4.24Å; W1674-I1688 HydrophobicContact CZ2-CD1 4.07Å; W1674-I1688 HydrophobicContact CZ2-CG1 3.68Å; W1674-I1688 HydrophobicContact CZ2-CG2 4.03Å; W1674-E1705 VanDerWaalsContact CZ3-O 3.26Å; W1674-E1705 WeakPolarHBondContact CZ3-O 3.45Å; W1674-L1707 HydrophobicContact CH2-CD1 3.76Å; W1674-L1707 HydrophobicContact CH2-CD2 4.42Å; W1674-L1707 HydrophobicContact CH2-CG 3.69Å; W1674-L1707 HydrophobicContact CZ2-CD1 3.7Å; W1674-L1707 HydrophobicContact CZ2-CG 4.17Å; W1674-L1707 HydrophobicContact CZ3-CG 4.34Å | ||
| 1675 | N | 26.4 | Very low | 29.7 | Very low | 157 Ų | 157 | 108.5 Ų | 108.5 | 84% | 0.84 | 70% | 0.699 | S | S | * | * | trans | -70.6 | 66.5 | 176.9 | -76.2 | -19.9 | 0 | 0 | 0 | 112 | G1673 A1677 | G1673-N1675 VanDerWaalsContact C-N 3.34Å; G1673-N1675 PolarHBondContact O-N 2.88Å; N1675-A1677 PolarHBondContact O-N 2.99Å | ||
| 1676 | L | 28.3 | Very low | 31.1 | Very low | 113.4 Ų | 113.4 | 102.2 Ų | 102.2 | 59% | 0.594 | 67% | 0.667 | S | S | * | * | trans | -104.1 | 21.6 | 176.6 | -142.2 | 83.1 | 0 | 0 | 0 | 112.9 | W1674 G1678 I1688 H1706 | W1674-L1676 VanDerWaalsContact C-N 3.26Å; W1674-L1676 PolarHBondContact O-N 3.09Å; L1676-G1678 PolarHBondContact O-N 3.11Å; L1676-I1688 HydrophobicContact CD1-CG2 4.47Å; L1676-H1706 WeakPolarHBondContact CD1-CE1 3.35Å; L1676-H1706 WeakPolarHBondContact CD1-NE2 3.45Å | ||
| 1677 | A | 26.3 | Very low | 33.5 | Very low | 100.4 Ų | 100.4 | 101.4 Ų | 101.4 | 83% | 0.83 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -129.4 | 40.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | N1675 | N1675-A1677 PolarHBondContact O-N 2.99Š|
| 1678 | G | 23.6 | Very low | 35.8 | Very low | 76 Ų | 76 | 97.2 Ų | 97.2 | 78% | 0.784 | 62% | 0.62 | S | S | * | * | trans | -149.3 | 91.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1676 L1680 | L1676-G1678 PolarHBondContact O-N 3.11Å; G1678-L1680 PolarHBondContact O-N 3.1Å | ||
| 1679 | G | 23 | Very low | 38.3 | Very low | 69.6 Ų | 69.6 | 93.2 Ų | 93.2 | 72% | 0.718 | 60% | 0.602 | S | S | * | * | trans | -87.8 | 101.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | S1681 | G1679-S1681 VanDerWaalsContact C-N 3.34Š| ||
| 1680 | L | 26.4 | Very low | 40.8 | Very low | 147.2 Ų | 147.2 | 90.4 Ų | 90.4 | 77% | 0.771 | 58% | 0.583 | S | S | * | * | trans | -128 | 86.9 | 162 | -81.4 | 168.8 | 0 | 0 | 0 | 113 | P1653 G1678 G1682 | P1653-L1680 HydrophobicContact CB-CD1 4.42Å; P1653-L1680 HydrophobicContact CG-CD1 3.72Å; G1678-L1680 PolarHBondContact O-N 3.1Å; L1680-G1682 PolarHBondContact O-N 3.12Å; L1680-G1682 VanDerWaalsContact O-N 3.15Å | ||
| 1681 | S | 26.1 | Very low | 43.6 | Very low | 122.2 Ų | 122.2 | 87.6 Ų | 87.6 | 86% | 0.855 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -46.5 | 98.5 | 166.9 | -153.1 | 0 | 0 | 0 | 0 | 114.4 | G1679 | G1679-S1681 VanDerWaalsContact C-N 3.34Š|
| 1682 | G | 25.3 | Very low | 46 | Very low | 65.2 Ų | 65.2 | 83.9 Ų | 83.9 | 67% | 0.672 | 55% | 0.549 | S | S | * | . | trans | 94.9 | 79.7 | 144.1 | 0 | 0 | 0 | 0 | 0 | 120 | L1680 S1684 | L1680-G1682 PolarHBondContact O-N 3.12Å; L1680-G1682 VanDerWaalsContact O-N 3.15Å; G1682-S1684 PolarHBondContact O-N 2.84Å | ||
| 1683 | T | 29.4 | Very low | 48.4 | Very low | 124.4 Ų | 124.4 | 83 Ų | 83 | 76% | 0.763 | 54% | 0.535 | S | S | * | . | trans | -64.6 | 116.8 | 150.4 | 51 | 0 | 0 | 0 | 0 | 113.9 | G1685 | T1683-G1685 PolarHBondContact O-N 3.2Š| ||
| 1684 | S | 38.4 | Very low | 50.9 | Low | 110.4 Ų | 110.4 | 82.8 Ų | 82.8 | 77% | 0.772 | 53% | 0.534 | S | S | * | . | trans | 6 | 69.6 | 165.1 | 61.5 | 0 | 0 | 0 | 0 | 118.5 | G1682 S1686 T1687 | G1682-S1684 PolarHBondContact O-N 2.84Å; S1684-S1686 PolarHBondContact O-N 2.85Å; S1684-T1687 PolarHBondContact O-N 2.99Å | ||
| 1685 | G | 48.7 | Very low | 53.6 | Low | 31.6 Ų | 31.6 | 76.6 Ų | 76.6 | 33% | 0.326 | 51% | 0.51 | S | S | . | . | S | Bend | trans | 139.6 | 112 | 164 | 0 | 0 | 0 | 0 | 0 | 114.5 | T1683 T1687 L1707 | T1683-G1685 PolarHBondContact O-N 3.2Å; G1685-T1687 VanDerWaalsContact C-N 3.26Å; G1685-T1687 WeakPolarHBondContact O-CB 3.01Å; G1685-T1687 PolarHBondContact O-N 3.05Å; G1685-T1687 VanDerWaalsContact O-N 3.1Å; G1685-T1687 PolarHBondContact O-OG1 2.87Å; G1685-L1707 VanDerWaalsContact O-CD1 3.31Å; G1685-L1707 WeakPolarHBondContact O-CD1 3.13Å |
| 1686 | S | 62.5 | Low | 56.5 | Low | 26.6 Ų | 26.6 | 69.3 Ų | 69.3 | 19% | 0.186 | 47% | 0.471 | C | S | . | . | trans | -75.7 | 68.2 | -177.7 | 108.6 | 0 | 0 | 0 | 0 | 113.5 | W1674 S1684 T1701 S1702 L1704 | W1674-S1686 VanDerWaalsContact CE2-OG 3.28Å; W1674-S1686 WeakPolarHBondContact CH2-OG 3.33Å; W1674-S1686 WeakPolarHBondContact CZ2-OG 3.24Å; W1674-S1686 WeakPolarHBondContact CZ3-OG 3.32Å; S1684-S1686 PolarHBondContact O-N 2.85Å; S1686-T1701 VanDerWaalsContact O-CA 3.31Å; S1686-T1701 WeakPolarHBondContact O-CA 3.41Å; S1686-S1702 WeakPolarHBondContact CB-OG 3.39Å; S1686-S1702 PolarHBondContact O-N 3.18Å; S1686-S1702 VanDerWaalsContact O-N 3.07Å; S1686-S1702 PolarHBondContact O-OG 3.49Å; S1686-S1702 WeakPolarHBondContact OG-CB 3.5Å; S1686-S1702 PolarHBondContact OG-N 3.14Å; S1686-S1702 PolarHBondContact OG-OG 3.48Å; S1686-L1704 WeakPolarHBondContact CB-O 3.35Å; S1686-L1704 PolarHBondContact N-O 3.16Å; S1686-L1704 PolarHBondContact OG-O 3.3Å | ||
| 1687 | T | 77.8 | Confident | 59.5 | Low | 57.6 Ų | 57.6 | 65.8 Ų | 65.8 | 35% | 0.353 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 116 | -177.5 | 20.8 | 0 | 0 | 0 | 0 | 109.9 | S1684 G1685 T1689 Q1699 Y1700 T1701 | S1684-T1687 PolarHBondContact O-N 2.99Å; G1685-T1687 VanDerWaalsContact C-N 3.26Å; G1685-T1687 WeakPolarHBondContact O-CB 3.01Å; G1685-T1687 PolarHBondContact O-N 3.05Å; G1685-T1687 VanDerWaalsContact O-N 3.1Å; G1685-T1687 PolarHBondContact O-OG1 2.87Å; T1687-T1689 HydrophobicContact CG2-CG2 4.22Å; T1687-Q1699 HydrophobicContact CG2-CG 3.59Å; T1687-Q1699 VanDerWaalsContact CG2-CG 3.45Å; T1687-Y1700 CarbonylContact C-O 3.56Å; T1687-Y1700 VanDerWaalsContact CA-O 3.28Å; T1687-Y1700 WeakPolarHBondContact CA-O 3.31Å; T1687-T1701 HydrophobicContact CG2-CG2 3.75Å; T1687-T1701 VanDerWaalsContact CG2-OG1 3.27Å; T1687-T1701 WeakPolarHBondContact CG2-OG1 3.42Å; T1687-T1701 WeakPolarHBondContact OG1-CB 3.37Å; T1687-T1701 VanDerWaalsContact OG1-CG2 3.28Å; T1687-T1701 WeakPolarHBondContact OG1-CG2 3.32Å; T1687-T1701 PolarHBondContact OG1-OG1 3.05Å |
| 1688 | I | 80.9 | Confident | 62.5 | Low | 20 Ų | 20 | 61.1 Ų | 61.1 | 10% | 0.103 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 122.4 | 177 | -55.5 | 176.3 | 0 | 0 | 0 | 107.8 | I1627 L1650 L1652 W1674 L1676 Q1690 Q1699 Y1700 | I1627-I1688 HydrophobicContact CD1-CD1 3.78Å; L1650-I1688 HydrophobicContact CD1-CB 4.49Å; L1650-I1688 HydrophobicContact CD1-CD1 4.39Å; L1650-I1688 HydrophobicContact CD1-CG2 3.99Å; L1650-I1688 HydrophobicContact CD2-CB 4.4Å; L1650-I1688 HydrophobicContact CD2-CD1 4.47Å; L1650-I1688 HydrophobicContact CD2-CG2 4.46Å; L1652-I1688 HydrophobicContact CD2-CD1 3.58Å; L1652-I1688 VanDerWaalsContact CD2-CD1 3.49Å; L1652-I1688 HydrophobicContact CG-CD1 3.98Å; W1674-I1688 HydrophobicContact CH2-CD1 4.26Å; W1674-I1688 HydrophobicContact CH2-CG1 3.94Å; W1674-I1688 HydrophobicContact CZ2-CB 4.24Å; W1674-I1688 HydrophobicContact CZ2-CD1 4.07Å; W1674-I1688 HydrophobicContact CZ2-CG1 3.68Å; W1674-I1688 HydrophobicContact CZ2-CG2 4.03Å; L1676-I1688 HydrophobicContact CD1-CG2 4.47Å; I1688-Q1690 HydrophobicContact CG2-CG 4.43Å; I1688-Q1699 CarbonylContact O-C 3.53Å; I1688-Q1699 WeakPolarHBondContact O-CA 3.4Å; I1688-Y1700 HydrophobicContact CB-CD1 4.29Å; I1688-Y1700 HydrophobicContact CD1-CD1 4.31Å; I1688-Y1700 HydrophobicContact CD1-CE1 4.23Å; I1688-Y1700 HydrophobicContact CG1-CD1 3.95Å; I1688-Y1700 PolarHBondContact N-O 3.1Å; I1688-Y1700 PolarHBondContact O-N 2.91Å |
| 1689 | T | 83.5 | Confident | 65.7 | Low | 72.2 Ų | 72.2 | 60.8 Ų | 60.8 | 44% | 0.443 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 130.8 | 175.5 | 14.9 | 0 | 0 | 0 | 0 | 110 | T1687 I1698 Q1699 | T1687-T1689 HydrophobicContact CG2-CG2 4.22Å; T1689-I1698 CarbonylContact C-O 3.52Å; T1689-I1698 WeakPolarHBondContact CA-O 3.37Å; T1689-Q1699 HydrophobicContact CG2-CB 4.02Å; T1689-Q1699 HydrophobicContact CG2-CG 3.83Å |
| 1690 | Q | 84.5 | Confident | 68.8 | Low | 33.6 Ų | 33.6 | 57.9 Ų | 57.9 | 16% | 0.157 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 131.7 | 175.3 | -69.3 | -177.9 | -35.5 | 0 | 0 | 110 | Y1628 L1650 V1651 I1688 Y1692 I1698 | Y1628-Q1690 PolarHBondContact OH-OE1 3.05Å; L1650-Q1690 HydrophobicContact CD1-CB 4.39Å; L1650-Q1690 HydrophobicContact CD1-CG 4.35Å; V1651-Q1690 PolarHBondContact O-NE2 2.97Å; I1688-Q1690 HydrophobicContact CG2-CG 4.43Å; Q1690-Y1692 HydrophobicContact CB-CD2 4.42Å; Q1690-Y1692 HydrophobicContact CB-CE2 3.74Å; Q1690-Y1692 PolarHBondContact OE1-OH 3.01Å; Q1690-I1698 PolarHBondContact N-O 3.03Å; Q1690-I1698 PolarHBondContact O-N 3.01Å |
| 1691 | T | 85 | Confident | 71.8 | Confident | 80 Ų | 80 | 51.7 Ų | 51.7 | 49% | 0.491 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 119.4 | -180 | -25.3 | 0 | 0 | 0 | 0 | 110 | N1697 | T1691-N1697 VanDerWaalsContact CB-OD1 3.3Å; T1691-N1697 WeakPolarHBondContact CB-OD1 3.33Å; T1691-N1697 HydrophobicContact CG2-CB 3.86Å; T1691-N1697 WeakPolarHBondContact CG2-OD1 3.3Å; T1691-N1697 PolarHBondContact OG1-OD1 2.99Å |
| 1692 | Y | 85.1 | Confident | 74.5 | Confident | 38.8 Ų | 38.8 | 46.4 Ų | 46.4 | 15% | 0.152 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 122.1 | 180 | -65.4 | -90.5 | 0 | 0 | 0 | 110.4 | Y1628 A1648 S1649 L1650 Q1690 G1694 L1695 L1696 I1698 | Y1628-Y1692 WeakPolarHBondContact OH-CE2 3.37Å; Y1628-Y1692 PolarHBondContact OH-OH 3.09Å; Y1628-Y1692 VanDerWaalsContact OH-OH 3.09Å; A1648-Y1692 HydrophobicContact CB-CD1 3.82Å; A1648-Y1692 HydrophobicContact CB-CD2 3.99Å; A1648-Y1692 HydrophobicContact CB-CE1 3.63Å; A1648-Y1692 HydrophobicContact CB-CE2 3.8Å; A1648-Y1692 HydrophobicContact CB-CG 4Å; A1648-Y1692 VanDerWaalsContact CB-CZ 3.46Å; S1649-Y1692 PolarHBondContact N-OH 3.08Å; S1649-Y1692 VanDerWaalsContact N-OH 3.14Å; S1649-Y1692 PolarHBondContact O-OH 3.15Å; S1649-Y1692 VanDerWaalsContact O-OH 3.1Å; L1650-Y1692 PolarHBondContact N-OH 2.75Å; Q1690-Y1692 HydrophobicContact CB-CD2 4.42Å; Q1690-Y1692 HydrophobicContact CB-CE2 3.74Å; Q1690-Y1692 PolarHBondContact OE1-OH 3.01Å; Y1692-G1694 PolarHBondContact O-N 3Å; Y1692-G1694 VanDerWaalsContact O-N 3.11Å; Y1692-L1695 PolarHBondContact O-N 3.25Å; Y1692-L1695 VanDerWaalsContact O-N 3.11Å; Y1692-L1696 PolarHBondContact N-O 3.05Å; Y1692-L1696 PolarHBondContact O-N 3.23Å; Y1692-L1696 VanDerWaalsContact O-N 3.11Å; Y1692-I1698 HydrophobicContact CD2-CD1 3.81Å; Y1692-I1698 HydrophobicContact CD2-CG1 4.08Å; Y1692-I1698 HydrophobicContact CE2-CB 4.46Å; Y1692-I1698 HydrophobicContact CE2-CD1 3.67Å; Y1692-I1698 HydrophobicContact CE2-CG1 4.13Å |
| 1693 | R | 80.5 | Confident | 77.2 | Confident | 115.4 Ų | 115.4 | 43.8 Ų | 43.8 | 44% | 0.435 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 31.4 | -178.9 | -65.5 | -172.2 | 165.2 | -145.7 | 0.9 | 114.5 | W1632 F1646 L1695 A1859 | W1632-R1693 HydrophobicContact CH2-CB 4.37Å; W1632-R1693 HydrophobicContact CH2-CG 4.49Å; W1632-R1693 HydrophobicContact CZ2-CB 4.26Å; W1632-R1693 HydrophobicContact CZ2-CG 4.34Å; F1646-R1693 VanDerWaalsContact CD1-NH2 3.32Å; F1646-R1693 VanDerWaalsContact CE1-NH1 3.34Å; F1646-R1693 VanDerWaalsContact CE1-NH2 3.27Å; R1693-L1695 PolarHBondContact O-N 3.27Å; R1693-L1695 VanDerWaalsContact O-N 3.1Å; R1693-A1859 HydrophobicContact CB-CB 4.15Å; R1693-A1859 WeakPolarHBondContact CD-O 3.24Å; R1693-A1859 PolarHBondContact NH1-O 3.24Å |
| 1694 | G | 79.6 | Confident | 79.7 | Confident | 45 Ų | 45 | 38.2 Ų | 38.2 | 46% | 0.464 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 2.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y1692 S1854 | Y1692-G1694 PolarHBondContact O-N 3Å; Y1692-G1694 VanDerWaalsContact O-N 3.11Å; G1694-S1854 WeakPolarHBondContact O-CB 3.34Å; G1694-S1854 PolarHBondContact O-OG 3.46Å |
| 1695 | L | 84.9 | Confident | 81.4 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | -53.2 | -173.3 | 178.7 | 68.5 | 0 | 0 | 0 | 112.6 | W1632 L1634 Y1692 R1693 N1697 L1850 P1851 S1854 L1856 A1859 | W1632-L1695 HydrophobicContact CH2-CB 4.49Å; W1632-L1695 HydrophobicContact CH2-CD2 4.22Å; W1632-L1695 HydrophobicContact CZ3-CD2 4.07Å; L1634-L1695 HydrophobicContact CD1-CD2 4.18Å; L1634-L1695 HydrophobicContact CD2-CD2 4.01Å; L1634-L1695 HydrophobicContact CG-CD2 4.48Å; Y1692-L1695 PolarHBondContact O-N 3.25Å; Y1692-L1695 VanDerWaalsContact O-N 3.11Å; R1693-L1695 PolarHBondContact O-N 3.27Å; R1693-L1695 VanDerWaalsContact O-N 3.1Å; L1695-N1697 PolarHBondContact O-N 2.76Å; L1695-L1850 HydrophobicContact CD1-CD2 4.34Å; L1695-L1850 HydrophobicContact CD2-CD2 4.41Å; L1695-L1850 HydrophobicContact CG-CD2 4.13Å; L1695-P1851 VanDerWaalsContact O-CD 3.24Å; L1695-P1851 WeakPolarHBondContact O-CD 3.42Å; L1695-S1854 WeakPolarHBondContact CD1-OG 3.37Å; L1695-L1856 HydrophobicContact CD1-CB 4.29Å; L1695-L1856 HydrophobicContact CD2-CB 4.37Å; L1695-L1856 HydrophobicContact CD2-CD1 4.39Å; L1695-L1856 HydrophobicContact CD2-CG 4Å; L1695-A1859 HydrophobicContact CB-CB 3.77Å; L1695-A1859 HydrophobicContact CD1-CB 4.41Å; L1695-A1859 HydrophobicContact CD2-CB 3.78Å; L1695-A1859 HydrophobicContact CG-CB 4.36Å |
| 1696 | L | 87.5 | Confident | 82.9 | Confident | 3.2 Ų | 3.2 | 43.4 Ų | 43.4 | 2% | 0.017 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 103.6 | -175.6 | -179.9 | 63.5 | 0 | 0 | 0 | 109.9 | L1333 L1630 W1632 Y1692 I1698 F1848 L1850 | L1333-L1696 HydrophobicContact CD2-CD1 4.29Å; L1333-L1696 HydrophobicContact CD2-CD2 3.76Å; L1630-L1696 HydrophobicContact CD1-CD2 3.78Å; W1632-L1696 HydrophobicContact CB-CD2 4.24Å; W1632-L1696 HydrophobicContact CD2-CD2 4.04Å; W1632-L1696 HydrophobicContact CG-CD2 3.75Å; W1632-L1696 HydrophobicContact CZ2-CB 4.48Å; Y1692-L1696 PolarHBondContact N-O 3.05Å; Y1692-L1696 PolarHBondContact O-N 3.23Å; Y1692-L1696 VanDerWaalsContact O-N 3.11Å; L1696-I1698 HydrophobicContact CD1-CG1 4.42Å; L1696-I1698 HydrophobicContact CD2-CD1 3.96Å; L1696-I1698 HydrophobicContact CD2-CG1 4.28Å; L1696-I1698 HydrophobicContact CG-CD1 4.15Å; L1696-I1698 HydrophobicContact CG-CG1 3.91Å; L1696-F1848 HydrophobicContact CD1-CB 4.32Å; L1696-F1848 HydrophobicContact CD1-CD1 4.36Å; L1696-L1850 HydrophobicContact CB-CD2 4.49Å; L1696-L1850 HydrophobicContact CD1-CD2 4.05Å |
| 1697 | N | 89.9 | Confident | 84 | Confident | 39.4 Ų | 39.4 | 44 Ų | 44 | 21% | 0.211 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 122.1 | 173.7 | -87.3 | -6.8 | 0 | 0 | 0 | 109.5 | T1691 L1695 F1848 S1849 | T1691-N1697 VanDerWaalsContact CB-OD1 3.3Å; T1691-N1697 WeakPolarHBondContact CB-OD1 3.33Å; T1691-N1697 HydrophobicContact CG2-CB 3.86Å; T1691-N1697 WeakPolarHBondContact CG2-OD1 3.3Å; T1691-N1697 PolarHBondContact OG1-OD1 2.99Å; L1695-N1697 PolarHBondContact O-N 2.76Å; N1697-F1848 CarbonylContact O-C 3.55Å; N1697-F1848 WeakPolarHBondContact O-CA 3.36Å; N1697-S1849 VanDerWaalsContact CB-OG 3.23Å; N1697-S1849 WeakPolarHBondContact CB-OG 3.37Å; N1697-S1849 PolarHBondContact N-O 3.13Å; N1697-S1849 PolarHBondContact ND2-OG 3.3Å; N1697-S1849 VanDerWaalsContact ND2-OG 3.1Å; N1697-S1849 PolarHBondContact O-N 3.18Å; N1697-S1849 PolarHBondContact O-OG 3.13Å |
| 1698 | I | 89.8 | Confident | 84.5 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 118.7 | 179.9 | -49.5 | -174.6 | 0 | 0 | 0 | 108.5 | Y1628 L1630 A1648 T1689 Q1690 Y1692 L1696 L1846 S1847 F1848 | Y1628-I1698 HydrophobicContact CE1-CG2 3.73Å; Y1628-I1698 HydrophobicContact CE2-CD1 3.88Å; Y1628-I1698 HydrophobicContact CE2-CG2 4.46Å; Y1628-I1698 WeakPolarHBondContact OH-CD1 3.3Å; Y1628-I1698 WeakPolarHBondContact OH-CG2 3.45Å; L1630-I1698 HydrophobicContact CD1-CD1 3.92Å; L1630-I1698 HydrophobicContact CD2-CD1 4.18Å; L1630-I1698 HydrophobicContact CG-CD1 4.36Å; A1648-I1698 HydrophobicContact CB-CD1 4.11Å; T1689-I1698 CarbonylContact C-O 3.52Å; T1689-I1698 WeakPolarHBondContact CA-O 3.37Å; Q1690-I1698 PolarHBondContact N-O 3.03Å; Q1690-I1698 PolarHBondContact O-N 3.01Å; Y1692-I1698 HydrophobicContact CD2-CD1 3.81Å; Y1692-I1698 HydrophobicContact CD2-CG1 4.08Å; Y1692-I1698 HydrophobicContact CE2-CB 4.46Å; Y1692-I1698 HydrophobicContact CE2-CD1 3.67Å; Y1692-I1698 HydrophobicContact CE2-CG1 4.13Å; L1696-I1698 HydrophobicContact CD1-CG1 4.42Å; L1696-I1698 HydrophobicContact CD2-CD1 3.96Å; L1696-I1698 HydrophobicContact CD2-CG1 4.28Å; L1696-I1698 HydrophobicContact CG-CD1 4.15Å; L1696-I1698 HydrophobicContact CG-CG1 3.91Å; I1698-L1846 HydrophobicContact CG2-CD1 3.57Å; I1698-L1846 HydrophobicContact CG2-CG 4.35Å; I1698-S1847 CarbonylContact C-O 3.46Å; I1698-S1847 WeakPolarHBondContact CA-O 3.37Å; I1698-F1848 HydrophobicContact CB-CD1 4.43Å; I1698-F1848 HydrophobicContact CD1-CD1 4.11Å; I1698-F1848 HydrophobicContact CD1-CE1 4.02Å; I1698-F1848 HydrophobicContact CG1-CD1 3.94Å; I1698-F1848 HydrophobicContact CG1-CE1 4.25Å; I1698-F1848 HydrophobicContact CG2-CD1 4.03Å; I1698-F1848 HydrophobicContact CG2-CE1 3.95Å; I1698-F1848 HydrophobicContact CG2-CZ 4.47Å |
| 1699 | Q | 90.2 | Very high | 84.8 | Confident | 69.8 Ų | 69.8 | 42.4 Ų | 42.4 | 33% | 0.326 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 118.4 | 178.6 | -179.9 | -178.2 | 38.6 | 0 | 0 | 109.7 | T1687 I1688 T1689 T1701 L1846 S1847 | T1687-Q1699 HydrophobicContact CG2-CG 3.59Å; T1687-Q1699 VanDerWaalsContact CG2-CG 3.45Å; I1688-Q1699 CarbonylContact O-C 3.53Å; I1688-Q1699 WeakPolarHBondContact O-CA 3.4Å; T1689-Q1699 HydrophobicContact CG2-CB 4.02Å; T1689-Q1699 HydrophobicContact CG2-CG 3.83Å; Q1699-T1701 HydrophobicContact CG-CG2 4.32Å; Q1699-L1846 CarbonylContact O-C 3.56Å; Q1699-L1846 WeakPolarHBondContact O-CA 3.35Å; Q1699-S1847 WeakPolarHBondContact CB-OG 3.36Å; Q1699-S1847 PolarHBondContact N-O 3.21Å; Q1699-S1847 PolarHBondContact O-N 3.02Å; Q1699-S1847 PolarHBondContact O-OG 2.96Å; Q1699-S1847 PolarHBondContact OE1-OG 3.14Å |
| 1700 | Y | 89 | Confident | 85.1 | Confident | 9 Ų | 9 | 39 Ų | 39 | 4% | 0.035 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 129.6 | 173.7 | 171 | -110.8 | 0 | 0 | 0 | 110 | L1340 P1342 I1627 Y1628 L1650 L1652 T1687 I1688 S1702 P1844 K1845 L1846 | L1340-Y1700 WeakPolarHBondContact O-CE2 3.25Å; L1340-Y1700 PolarHBondContact O-OH 3.12Å; L1340-Y1700 VanDerWaalsContact O-OH 3.09Å; P1342-Y1700 WeakPolarHBondContact CD-OH 3.15Å; P1342-Y1700 WeakPolarHBondContact CG-OH 3.31Å; I1627-Y1700 HydrophobicContact CD1-CD1 4.21Å; I1627-Y1700 HydrophobicContact CD1-CE1 4.21Å; I1627-Y1700 HydrophobicContact CG1-CE1 4.16Å; I1627-Y1700 HydrophobicContact CG2-CD1 4.33Å; I1627-Y1700 HydrophobicContact CG2-CD2 3.82Å; I1627-Y1700 HydrophobicContact CG2-CE1 4.3Å; I1627-Y1700 HydrophobicContact CG2-CE2 3.68Å; I1627-Y1700 HydrophobicContact CG2-CG 4.01Å; Y1628-Y1700 HydrophobicContact CD2-CD2 4.22Å; Y1628-Y1700 HydrophobicContact CD2-CE2 4.48Å; Y1628-Y1700 AromaticContact CE2-CD2 3.8Å; Y1628-Y1700 HydrophobicContact CE2-CD2 3.8Å; Y1628-Y1700 AromaticContact CE2-CE2 3.78Å; Y1628-Y1700 HydrophobicContact CE2-CE2 3.78Å; L1650-Y1700 HydrophobicContact CD2-CD1 3.87Å; L1650-Y1700 HydrophobicContact CD2-CD2 4.05Å; L1650-Y1700 HydrophobicContact CD2-CG 3.85Å; L1652-Y1700 HydrophobicContact CD2-CE1 4.41Å; T1687-Y1700 CarbonylContact C-O 3.56Å; T1687-Y1700 VanDerWaalsContact CA-O 3.28Å; T1687-Y1700 WeakPolarHBondContact CA-O 3.31Å; I1688-Y1700 HydrophobicContact CB-CD1 4.29Å; I1688-Y1700 HydrophobicContact CD1-CD1 4.31Å; I1688-Y1700 HydrophobicContact CD1-CE1 4.23Å; I1688-Y1700 HydrophobicContact CG1-CD1 3.95Å; I1688-Y1700 PolarHBondContact N-O 3.1Å; I1688-Y1700 PolarHBondContact O-N 2.91Å; Y1700-S1702 VanDerWaalsContact OH-CB 3.24Å; Y1700-S1702 WeakPolarHBondContact OH-CB 3.19Å; Y1700-P1844 HydrophobicContact CE2-CB 4.21Å; Y1700-K1845 WeakPolarHBondContact CA-O 3.4Å; Y1700-L1846 HydrophobicContact CD2-CD1 4.39Å |
| 1701 | T | 88.3 | Confident | 85.4 | Confident | 18.2 Ų | 18.2 | 37.4 Ų | 37.4 | 11% | 0.112 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 117.6 | 171.6 | -7.5 | 0 | 0 | 0 | 0 | 108.9 | S1686 T1687 Q1699 G1703 P1844 K1845 | S1686-T1701 VanDerWaalsContact O-CA 3.31Å; S1686-T1701 WeakPolarHBondContact O-CA 3.41Å; T1687-T1701 HydrophobicContact CG2-CG2 3.75Å; T1687-T1701 VanDerWaalsContact CG2-OG1 3.27Å; T1687-T1701 WeakPolarHBondContact CG2-OG1 3.42Å; T1687-T1701 WeakPolarHBondContact OG1-CB 3.37Å; T1687-T1701 VanDerWaalsContact OG1-CG2 3.28Å; T1687-T1701 WeakPolarHBondContact OG1-CG2 3.32Å; T1687-T1701 PolarHBondContact OG1-OG1 3.05Å; Q1699-T1701 HydrophobicContact CG-CG2 4.32Å; T1701-G1703 VanDerWaalsContact C-N 3.34Å; T1701-G1703 PolarHBondContact O-N 3.31Å; T1701-P1844 CarbonylContact O-C 3.54Å; T1701-P1844 VanDerWaalsContact O-CA 3.24Å; T1701-P1844 WeakPolarHBondContact O-CA 3.32Å; T1701-P1844 WeakPolarHBondContact O-CB 3.21Å; T1701-K1845 PolarHBondContact N-O 3.39Å; T1701-K1845 PolarHBondContact O-N 2.81Å; T1701-K1845 VanDerWaalsContact OG1-CE 3.23Å; T1701-K1845 WeakPolarHBondContact OG1-CE 3.38Å; T1701-K1845 WeakPolarHBondContact OG1-CG 3.22Å |
| 1702 | S | 83 | Confident | 85.5 | Confident | 10.2 Ų | 10.2 | 33.6 Ų | 33.6 | 7% | 0.071 | 17% | 0.172 | C | C | . | . | trans | -75.4 | -22.5 | -179.1 | 72 | 0 | 0 | 0 | 0 | 113.4 | S1686 Y1700 L1704 | S1686-S1702 WeakPolarHBondContact CB-OG 3.39Å; S1686-S1702 PolarHBondContact O-N 3.18Å; S1686-S1702 VanDerWaalsContact O-N 3.07Å; S1686-S1702 PolarHBondContact O-OG 3.49Å; S1686-S1702 WeakPolarHBondContact OG-CB 3.5Å; S1686-S1702 PolarHBondContact OG-N 3.14Å; S1686-S1702 PolarHBondContact OG-OG 3.48Å; Y1700-S1702 VanDerWaalsContact OH-CB 3.24Å; Y1700-S1702 WeakPolarHBondContact OH-CB 3.19Å; S1702-L1704 PolarHBondContact O-N 3Å; S1702-L1704 WeakPolarHBondContact OG-CB 3.35Å; S1702-L1704 PolarHBondContact OG-N 3.08Å; S1702-L1704 VanDerWaalsContact OG-N 3.11Å; S1702-L1704 PolarHBondContact OG-O 2.92Å; S1702-L1704 VanDerWaalsContact OG-O 3.11Å | ||
| 1703 | G | 82.4 | Confident | 85.4 | Confident | 11 Ų | 11 | 32 Ų | 32 | 11% | 0.113 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 81.2 | -6.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | T1701 H1839 | T1701-G1703 VanDerWaalsContact C-N 3.34Å; T1701-G1703 PolarHBondContact O-N 3.31Å; G1703-H1839 WeakPolarHBondContact O-CB 3.49Å; G1703-H1839 PolarHBondContact O-CD2 2.95Å; G1703-H1839 VanDerWaalsContact O-CD2 3.26Å |
| 1704 | L | 81.6 | Confident | 85.4 | Confident | 6.6 Ų | 6.6 | 27.8 Ų | 27.8 | 4% | 0.035 | 15% | 0.154 | C | C | . | . | trans | -92.9 | 142 | 175.6 | -59.3 | 172.4 | 0 | 0 | 0 | 109.9 | S1686 S1702 H1706 L1707 V1825 V1837 H1839 | S1686-L1704 WeakPolarHBondContact CB-O 3.35Å; S1686-L1704 PolarHBondContact N-O 3.16Å; S1686-L1704 PolarHBondContact OG-O 3.3Å; S1702-L1704 PolarHBondContact O-N 3Å; S1702-L1704 WeakPolarHBondContact OG-CB 3.35Å; S1702-L1704 PolarHBondContact OG-N 3.08Å; S1702-L1704 VanDerWaalsContact OG-N 3.11Å; S1702-L1704 PolarHBondContact OG-O 2.92Å; S1702-L1704 VanDerWaalsContact OG-O 3.11Å; L1704-H1706 WeakPolarHBondContact CB-O 3.37Å; L1704-L1707 HydrophobicContact CD1-CD1 4.03Å; L1704-L1707 HydrophobicContact CD1-CD2 3.92Å; L1704-V1825 HydrophobicContact CD2-CB 4.46Å; L1704-V1825 HydrophobicContact CD2-CG1 4.36Å; L1704-V1825 HydrophobicContact CD2-CG2 3.57Å; L1704-V1837 HydrophobicContact CD1-CB 4.48Å; L1704-V1837 HydrophobicContact CD1-CG1 4.27Å; L1704-V1837 HydrophobicContact CD1-CG2 4.04Å; L1704-H1839 HydrophobicContact CD2-CB 3.91Å; L1704-H1839 HydrophobicContact CG-CB 4.37Å | ||
| 1705 | E | 75.5 | Confident | 85.1 | Confident | 151 Ų | 151 | 30.3 Ų | 30.3 | 71% | 0.706 | 16% | 0.157 | S | C | * | . | S | Bend | trans | -75.8 | -39.5 | 172.2 | -63.6 | -169.4 | 153.2 | 0 | 0 | 111.7 | W1674 | W1674-E1705 VanDerWaalsContact CZ3-O 3.26Å; W1674-E1705 WeakPolarHBondContact CZ3-O 3.45Å |
| 1706 | H | 79.1 | Confident | 84.6 | Confident | 99 Ų | 99 | 35.6 Ų | 35.6 | 46% | 0.458 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -138.6 | 149.9 | -177.5 | -62.3 | -5.1 | 0 | 0 | 0 | 109.1 | L1676 L1704 F1722 M1822 | L1676-H1706 WeakPolarHBondContact CD1-CE1 3.35Å; L1676-H1706 WeakPolarHBondContact CD1-NE2 3.45Å; L1704-H1706 WeakPolarHBondContact CB-O 3.37Å; H1706-F1722 HydrophobicContact CB-CE1 3.6Å; H1706-F1722 HydrophobicContact CB-CE2 4.07Å; H1706-F1722 HydrophobicContact CB-CZ 3.19Å; H1706-M1822 HydrophobicContact CB-CE 4.44Å; H1706-M1822 VanDerWaalsContact O-CE 3.26Å; H1706-M1822 WeakPolarHBondContact O-CE 3.46Å |
| 1707 | L | 85 | Confident | 84.2 | Confident | 41 Ų | 41 | 41.8 Ų | 41.8 | 22% | 0.215 | 22% | 0.221 | C | C | . | . | trans | -89.5 | 134.7 | 174.3 | -86.2 | 133.9 | 0 | 0 | 0 | 109.9 | P1342 L1344 P1621 L1652 W1674 G1685 L1704 F1722 V1837 | P1342-L1707 HydrophobicContact CB-CD2 3.98Å; P1342-L1707 HydrophobicContact CG-CD2 4.02Å; L1344-L1707 HydrophobicContact CD2-CD2 4.45Å; P1621-L1707 HydrophobicContact CG-CD1 4.25Å; P1621-L1707 HydrophobicContact CG-CD2 3.71Å; P1621-L1707 VanDerWaalsContact CG-CD2 3.47Å; L1652-L1707 HydrophobicContact CD1-CD1 4.09Å; L1652-L1707 HydrophobicContact CD1-CD2 4.45Å; W1674-L1707 HydrophobicContact CH2-CD1 3.76Å; W1674-L1707 HydrophobicContact CH2-CD2 4.42Å; W1674-L1707 HydrophobicContact CH2-CG 3.69Å; W1674-L1707 HydrophobicContact CZ2-CD1 3.7Å; W1674-L1707 HydrophobicContact CZ2-CG 4.17Å; W1674-L1707 HydrophobicContact CZ3-CG 4.34Å; G1685-L1707 VanDerWaalsContact O-CD1 3.31Å; G1685-L1707 WeakPolarHBondContact O-CD1 3.13Å; L1704-L1707 HydrophobicContact CD1-CD1 4.03Å; L1704-L1707 HydrophobicContact CD1-CD2 3.92Å; L1707-F1722 VanDerWaalsContact O-CE1 3.25Å; L1707-F1722 WeakPolarHBondContact O-CE1 3.43Å; L1707-V1837 HydrophobicContact CD1-CG2 3.88Å; L1707-V1837 HydrophobicContact CD2-CG2 4.28Å | ||
| 1708 | P | 88 | Confident | 84 | Confident | 5.8 Ų | 5.8 | 41.8 Ų | 41.8 | 4% | 0.038 | 22% | 0.219 | C | C | . | . | trans | -67.2 | 139.3 | 180 | 25.6 | -31.8 | 0 | 0 | 0 | 112 | L1344 A1720 Y1721 M1822 V1837 | L1344-P1708 HydrophobicContact CD1-CG 3.77Å; L1344-P1708 WeakPolarHBondContact CD1-O 3.46Å; P1708-A1720 HydrophobicContact CB-CB 3.88Å; P1708-A1720 HydrophobicContact CG-CB 3.85Å; P1708-Y1721 VanDerWaalsContact CB-O 3.3Å; P1708-Y1721 WeakPolarHBondContact CB-O 3.26Å; P1708-M1822 HydrophobicContact CB-SD 3.73Å; P1708-M1822 HydrophobicContact CG-SD 4.19Å; P1708-V1837 HydrophobicContact CG-CB 4.45Å; P1708-V1837 HydrophobicContact CG-CG1 4.08Å; P1708-V1837 HydrophobicContact CG-CG2 4.17Å | ||
| 1709 | D | 87.6 | Confident | 83.9 | Confident | 36.2 Ų | 36.2 | 43.6 Ų | 43.6 | 19% | 0.194 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -94.7 | -19.4 | 173.3 | -15.7 | -23.8 | 0 | 0 | 0 | 111.6 | H1618 V1619 Y1721 F1722 W1723 | H1618-D1709 WeakPolarHBondContact CA-O 3.21Å; H1618-D1709 PolarHBondContact CD2-O 3.15Å; V1619-D1709 PolarHBondContact N-O 3.32Å; D1709-Y1721 PolarHBondContact N-O 3.2Å; D1709-Y1721 VanDerWaalsContact N-O 3.16Å; D1709-F1722 VanDerWaalsContact OD1-CA 3.28Å; D1709-F1722 WeakPolarHBondContact OD1-CA 3.34Å; D1709-W1723 HydrophobicContact CB-CB 4.29Å; D1709-W1723 PolarHBondContact OD1-N 3.27Å; D1709-W1723 PolarHBondContact OD2-N 3.13Å |
| 1710 | V | 89.5 | Confident | 83.9 | Confident | 0.8 Ų | 0.8 | 40.4 Ų | 40.4 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 133.9 | 178.8 | 177.9 | 0 | 0 | 0 | 0 | 110.7 | L1616 C1617 Y1721 W1723 P1783 | L1616-V1710 HydrophobicContact CB-CG1 4.08Å; L1616-V1710 HydrophobicContact CD2-CG1 3.93Å; L1616-V1710 HydrophobicContact CG-CG1 4.44Å; C1617-V1710 CarbonylContact O-C 3.59Å; C1617-V1710 VanDerWaalsContact O-CA 3.29Å; C1617-V1710 WeakPolarHBondContact O-CA 3.38Å; V1710-Y1721 PolarHBondContact N-O 3.04Å; V1710-Y1721 VanDerWaalsContact N-O 3.09Å; V1710-Y1721 PolarHBondContact O-N 2.97Å; V1710-Y1721 VanDerWaalsContact O-O 3.13Å; V1710-W1723 HydrophobicContact CG2-CB 4.47Å; V1710-W1723 HydrophobicContact CG2-CE3 3.99Å; V1710-W1723 HydrophobicContact CG2-CZ3 4.18Å; V1710-P1783 HydrophobicContact CG2-CG 4.12Å |
| 1711 | I | 91.1 | Very high | 83.8 | Confident | 0.4 Ų | 0.4 | 41.3 Ų | 41.3 | 0% | 0.002 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 134.4 | 167.2 | -71 | 175.3 | 0 | 0 | 0 | 108.2 | L1344 L1616 C1617 V1619 Q1718 S1719 V1827 Y1835 V1837 | L1344-I1711 HydrophobicContact CD1-CD1 4.2Å; L1616-I1711 CarbonylContact C-O 3.55Å; L1616-I1711 WeakPolarHBondContact CA-O 3.01Å; C1617-I1711 PolarHBondContact N-O 3.07Å; C1617-I1711 PolarHBondContact O-N 3Å; V1619-I1711 HydrophobicContact CG1-CB 4.36Å; V1619-I1711 HydrophobicContact CG1-CD1 4.2Å; V1619-I1711 HydrophobicContact CG1-CG1 4.34Å; V1619-I1711 HydrophobicContact CG2-CB 4.44Å; V1619-I1711 HydrophobicContact CG2-CD1 4.07Å; V1619-I1711 HydrophobicContact CG2-CG1 3.92Å; I1711-Q1718 HydrophobicContact CG2-CB 4.31Å; I1711-S1719 WeakPolarHBondContact CA-O 3.36Å; I1711-V1827 HydrophobicContact CD1-CG1 4.02Å; I1711-V1827 HydrophobicContact CG2-CG1 4.12Å; I1711-Y1835 VanDerWaalsContact CD1-CB 3.41Å; I1711-Y1835 HydrophobicContact CD1-CD1 3.99Å; I1711-Y1835 HydrophobicContact CD1-CD2 3.87Å; I1711-Y1835 HydrophobicContact CD1-CE2 4.48Å; I1711-Y1835 HydrophobicContact CD1-CG 3.47Å; I1711-Y1835 VanDerWaalsContact CD1-CG 3.4Å; I1711-Y1835 HydrophobicContact CG2-CD1 3.98Å; I1711-Y1835 HydrophobicContact CG2-CE1 3.9Å; I1711-Y1835 HydrophobicContact CG2-CG 4.34Å; I1711-V1837 HydrophobicContact CD1-CG1 4.38Å; I1711-V1837 HydrophobicContact CD1-CG2 3.92Å |
| 1712 | G | 87 | Confident | 83.8 | Confident | 0.2 Ų | 0.2 | 42.8 Ų | 42.8 | 0% | 0.002 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 174.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | F1615 Q1718 S1719 | F1615-G1712 CarbonylContact O-C 3.48Å; F1615-G1712 WeakPolarHBondContact O-CA 3.29Å; G1712-Q1718 CarbonylContact O-C 3.54Å; G1712-Q1718 WeakPolarHBondContact O-CA 3.24Å; G1712-S1719 PolarHBondContact N-O 3.17Å; G1712-S1719 PolarHBondContact O-N 3.17Å; G1712-S1719 VanDerWaalsContact O-O 3.09Å; G1712-S1719 PolarHBondContact O-OG 3.01Å |
| 1713 | G | 83.5 | Confident | 83.9 | Confident | 5.8 Ų | 5.8 | 43 Ų | 43 | 6% | 0.06 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 135.7 | -150.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1614 F1615 M1717 | E1614-G1713 CarbonylContact C-O 3.54Å; E1614-G1713 VanDerWaalsContact CA-O 3.28Å; E1614-G1713 WeakPolarHBondContact CA-O 3.25Å; F1615-G1713 WeakPolarHBondContact CD1-O 3.4Å; F1615-G1713 WeakPolarHBondContact CE1-O 3.39Å; F1615-G1713 PolarHBondContact N-O 3.03Å; F1615-G1713 PolarHBondContact O-N 3.13Å; G1713-M1717 CarbonylContact C-O 3.59Å; G1713-M1717 WeakPolarHBondContact CA-O 3.44Å |
| 1714 | T | 80.9 | Confident | 83.9 | Confident | 26.2 Ų | 26.2 | 42.7 Ų | 42.7 | 16% | 0.161 | 22% | 0.221 | C | C | . | . | trans | -113.6 | -178.3 | 179.7 | 61.7 | 0 | 0 | 0 | 0 | 111.1 | G1613 E1614 F1615 T1716 M1717 Q1718 | G1613-T1714 WeakPolarHBondContact O-CA 3.48Å; E1614-T1714 HydrophobicContact CG-CG2 4.11Å; F1615-T1714 WeakPolarHBondContact CE1-O 3.37Å; T1714-T1716 VanDerWaalsContact C-N 3.3Å; T1714-T1716 PolarHBondContact O-N 3.25Å; T1714-T1716 PolarHBondContact OG1-N 3.04Å; T1714-T1716 VanDerWaalsContact OG1-N 3.1Å; T1714-T1716 PolarHBondContact OG1-OG1 3.07Å; T1714-M1717 PolarHBondContact N-O 3.09Å; T1714-M1717 PolarHBondContact OG1-N 3.08Å; T1714-M1717 VanDerWaalsContact OG1-N 3.12Å; T1714-M1717 PolarHBondContact OG1-O 3.04Å; T1714-Q1718 WeakPolarHBondContact O-CG 3.4Å; T1714-Q1718 PolarHBondContact O-NE2 2.83Å | ||
| 1715 | D | 72.6 | Confident | 83.8 | Confident | 98.6 Ų | 98.6 | 51.2 Ų | 51.2 | 53% | 0.527 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -60.5 | -26.8 | 168.8 | 57.1 | -12.6 | 0 | 0 | 0 | 113.7 | L1401 Q1718 | L1401-D1715 HydrophobicContact CD1-CB 3.98Å; D1715-Q1718 PolarHBondContact O-NE2 2.87Å; D1715-Q1718 VanDerWaalsContact O-NE2 3.09Å |
| 1716 | T | 74.6 | Confident | 83.9 | Confident | 113 Ų | 113 | 50.8 Ų | 50.8 | 69% | 0.693 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -102.9 | -28.4 | -174.7 | 49.2 | 0 | 0 | 0 | 0 | 114.3 | T1714 | T1714-T1716 VanDerWaalsContact C-N 3.3Å; T1714-T1716 PolarHBondContact O-N 3.25Å; T1714-T1716 PolarHBondContact OG1-N 3.04Å; T1714-T1716 VanDerWaalsContact OG1-N 3.1Å; T1714-T1716 PolarHBondContact OG1-OG1 3.07Å |
| 1717 | M | 80 | Confident | 83.9 | Confident | 134.2 Ų | 134.2 | 48.6 Ų | 48.6 | 66% | 0.661 | 25% | 0.25 | S | S | * | . | trans | -136.8 | 124.8 | -179.1 | -107.3 | -176.7 | 177 | 0 | 0 | 110.9 | G1713 T1714 | G1713-M1717 CarbonylContact C-O 3.59Å; G1713-M1717 WeakPolarHBondContact CA-O 3.44Å; T1714-M1717 PolarHBondContact N-O 3.09Å; T1714-M1717 PolarHBondContact OG1-N 3.08Å; T1714-M1717 VanDerWaalsContact OG1-N 3.12Å; T1714-M1717 PolarHBondContact OG1-O 3.04Å | ||
| 1718 | Q | 85.2 | Confident | 83.5 | Confident | 38.2 Ų | 38.2 | 50 Ų | 50 | 18% | 0.179 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 142 | 177.4 | -61.9 | 137.9 | 18.2 | 0 | 0 | 110.5 | F1615 I1711 G1712 T1714 D1715 V1827 Y1835 | F1615-Q1718 HydrophobicContact CZ-CG 4.39Å; I1711-Q1718 HydrophobicContact CG2-CB 4.31Å; G1712-Q1718 CarbonylContact O-C 3.54Å; G1712-Q1718 WeakPolarHBondContact O-CA 3.24Å; T1714-Q1718 WeakPolarHBondContact O-CG 3.4Å; T1714-Q1718 PolarHBondContact O-NE2 2.83Å; D1715-Q1718 PolarHBondContact O-NE2 2.87Å; D1715-Q1718 VanDerWaalsContact O-NE2 3.09Å; Q1718-V1827 HydrophobicContact CB-CB 4.07Å; Q1718-V1827 HydrophobicContact CB-CG1 3.93Å; Q1718-Y1835 HydrophobicContact CG-CE1 4.23Å; Q1718-Y1835 VanDerWaalsContact OE1-CE1 3.29Å |
| 1719 | S | 87.4 | Confident | 83.1 | Confident | 40.8 Ų | 40.8 | 52.3 Ų | 52.3 | 29% | 0.285 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 149.1 | -176.8 | 1.5 | 0 | 0 | 0 | 0 | 110.1 | I1711 G1712 Y1721 | I1711-S1719 WeakPolarHBondContact CA-O 3.36Å; G1712-S1719 PolarHBondContact N-O 3.17Å; G1712-S1719 PolarHBondContact O-N 3.17Å; G1712-S1719 VanDerWaalsContact O-O 3.09Å; G1712-S1719 PolarHBondContact O-OG 3.01Å; S1719-Y1721 WeakPolarHBondContact CB-OH 3.28Å; S1719-Y1721 WeakPolarHBondContact O-CD2 3.26Å; S1719-Y1721 WeakPolarHBondContact O-CE2 3.31Å; S1719-Y1721 WeakPolarHBondContact OG-CE2 3.32Å; S1719-Y1721 VanDerWaalsContact OG-CZ 3.25Å; S1719-Y1721 PolarHBondContact OG-OH 3.06Å |
| 1720 | A | 89.6 | Confident | 82.6 | Confident | 1.6 Ų | 1.6 | 51.2 Ų | 51.2 | 1% | 0.013 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 142.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | P1708 M1822 V1825 V1827 V1837 | P1708-A1720 HydrophobicContact CB-CB 3.88Å; P1708-A1720 HydrophobicContact CG-CB 3.85Å; A1720-M1822 HydrophobicContact CB-CB 4.13Å; A1720-M1822 HydrophobicContact CB-CG 4.4Å; A1720-M1822 HydrophobicContact CB-SD 4.03Å; A1720-M1822 WeakPolarHBondContact O-CB 3.23Å; A1720-M1822 PolarHBondContact O-N 2.68Å; A1720-V1825 HydrophobicContact CB-CB 4.04Å; A1720-V1825 HydrophobicContact CB-CG1 3.69Å; A1720-V1827 HydrophobicContact CB-CG2 3.76Å; A1720-V1837 HydrophobicContact CB-CG1 4.37Å |
| 1721 | Y | 88.7 | Confident | 81.7 | Confident | 28.6 Ų | 28.6 | 53.5 Ų | 53.5 | 11% | 0.112 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 153.5 | -179 | -55.9 | -93.2 | 0 | 0 | 0 | 111 | L1616 P1708 D1709 V1710 S1719 Y1819 I1820 A1821 | L1616-Y1721 HydrophobicContact CD2-CD2 4.41Å; L1616-Y1721 HydrophobicContact CD2-CE2 4.43Å; P1708-Y1721 VanDerWaalsContact CB-O 3.3Å; P1708-Y1721 WeakPolarHBondContact CB-O 3.26Å; D1709-Y1721 PolarHBondContact N-O 3.2Å; D1709-Y1721 VanDerWaalsContact N-O 3.16Å; V1710-Y1721 PolarHBondContact N-O 3.04Å; V1710-Y1721 VanDerWaalsContact N-O 3.09Å; V1710-Y1721 PolarHBondContact O-N 2.97Å; V1710-Y1721 VanDerWaalsContact O-O 3.13Å; S1719-Y1721 WeakPolarHBondContact CB-OH 3.28Å; S1719-Y1721 WeakPolarHBondContact O-CD2 3.26Å; S1719-Y1721 WeakPolarHBondContact O-CE2 3.31Å; S1719-Y1721 WeakPolarHBondContact OG-CE2 3.32Å; S1719-Y1721 VanDerWaalsContact OG-CZ 3.25Å; S1719-Y1721 PolarHBondContact OG-OH 3.06Å; Y1721-Y1819 AromaticContact CD1-CD2 3.48Å; Y1721-Y1819 HydrophobicContact CD1-CD2 3.48Å; Y1721-Y1819 VanDerWaalsContact CD1-CD2 3.5Å; Y1721-Y1819 AromaticContact CD1-CE2 3.87Å; Y1721-Y1819 HydrophobicContact CD1-CE2 4.11Å; Y1721-Y1819 HydrophobicContact CD1-CG 4.42Å; Y1721-Y1819 AromaticContact CE1-CD2 3.84Å; Y1721-Y1819 HydrophobicContact CE1-CD2 3.84Å; Y1721-Y1819 AromaticContact CE1-CE2 3.71Å; Y1721-Y1819 HydrophobicContact CE1-CE2 3.98Å; Y1721-Y1819 HydrophobicContact CG-CD2 4.05Å; Y1721-I1820 CarbonylContact C-O 3.41Å; Y1721-I1820 VanDerWaalsContact CA-O 3.24Å; Y1721-I1820 WeakPolarHBondContact CA-O 3.27Å; Y1721-A1821 VanDerWaalsContact CD1-CA 3.45Å; Y1721-A1821 HydrophobicContact CD1-CB 3.85Å; Y1721-A1821 HydrophobicContact CE1-CB 3.7Å |
| 1722 | F | 86.9 | Confident | 80.2 | Confident | 49 Ų | 49 | 56.8 Ų | 56.8 | 22% | 0.215 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 140.4 | 163.9 | -61.5 | -69.7 | 0 | 0 | 0 | 110.8 | H1706 L1707 D1709 S1724 Y1819 I1820 M1822 | H1706-F1722 HydrophobicContact CB-CE1 3.6Å; H1706-F1722 HydrophobicContact CB-CE2 4.07Å; H1706-F1722 HydrophobicContact CB-CZ 3.19Å; L1707-F1722 VanDerWaalsContact O-CE1 3.25Å; L1707-F1722 WeakPolarHBondContact O-CE1 3.43Å; D1709-F1722 VanDerWaalsContact OD1-CA 3.28Å; D1709-F1722 WeakPolarHBondContact OD1-CA 3.34Å; F1722-S1724 PolarHBondContact O-N 2.85Å; F1722-Y1819 CarbonylContact O-C 3.54Å; F1722-Y1819 WeakPolarHBondContact O-CA 3.35Å; F1722-Y1819 WeakPolarHBondContact O-CB 3.43Å; F1722-I1820 HydrophobicContact CB-CB 4.48Å; F1722-I1820 HydrophobicContact CD1-CB 4.18Å; F1722-I1820 HydrophobicContact CD1-CG2 4.43Å; F1722-I1820 WeakPolarHBondContact CD1-O 3.31Å; F1722-I1820 HydrophobicContact CD2-CB 4.45Å; F1722-I1820 HydrophobicContact CE1-CB 3.66Å; F1722-I1820 HydrophobicContact CE1-CG2 3.53Å; F1722-I1820 HydrophobicContact CE2-CB 3.97Å; F1722-I1820 HydrophobicContact CE2-CD1 3.78Å; F1722-I1820 HydrophobicContact CE2-CG1 4.38Å; F1722-I1820 HydrophobicContact CE2-CG2 4.41Å; F1722-I1820 HydrophobicContact CZ-CB 3.56Å; F1722-I1820 HydrophobicContact CZ-CD1 3.83Å; F1722-I1820 HydrophobicContact CZ-CG1 4.28Å; F1722-I1820 HydrophobicContact CZ-CG2 3.53Å; F1722-I1820 PolarHBondContact N-O 2.91Å; F1722-I1820 PolarHBondContact O-N 3.05Å; F1722-M1822 HydrophobicContact CD1-CG 3.94Å; F1722-M1822 HydrophobicContact CD2-CE 4.37Å; F1722-M1822 HydrophobicContact CD2-CG 3.61Å; F1722-M1822 VanDerWaalsContact CD2-CG 3.48Å; F1722-M1822 HydrophobicContact CD2-SD 3.88Å; F1722-M1822 HydrophobicContact CE1-CE 4.39Å; F1722-M1822 HydrophobicContact CE1-SD 4.16Å; F1722-M1822 HydrophobicContact CE2-CE 3.33Å; F1722-M1822 VanDerWaalsContact CE2-CE 3.48Å; F1722-M1822 HydrophobicContact CE2-CG 3.38Å; F1722-M1822 VanDerWaalsContact CE2-CG 3.45Å; F1722-M1822 HydrophobicContact CE2-SD 3.22Å; F1722-M1822 WeakPolarHBondContact CE2-SD 3.13Å; F1722-M1822 HydrophobicContact CG-CG 4.4Å; F1722-M1822 HydrophobicContact CG-SD 4.41Å; F1722-M1822 HydrophobicContact CZ-CE 3.34Å; F1722-M1822 HydrophobicContact CZ-CG 4.12Å; F1722-M1822 HydrophobicContact CZ-SD 3.31Å; F1722-M1822 WeakPolarHBondContact CZ-SD 3.39Å |
| 1723 | W | 85.7 | Confident | 78.4 | Confident | 14 Ų | 14 | 60 Ų | 60 | 5% | 0.053 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 127.1 | 165.4 | -159.8 | -103.4 | 0 | 0 | 0 | 109.2 | V1406 D1709 V1710 K1725 W1779 P1780 S1781 P1783 P1818 | V1406-W1723 HydrophobicContact CG1-CH2 4.21Å; V1406-W1723 HydrophobicContact CG1-CZ3 4.25Å; D1709-W1723 HydrophobicContact CB-CB 4.29Å; D1709-W1723 PolarHBondContact OD1-N 3.27Å; D1709-W1723 PolarHBondContact OD2-N 3.13Å; V1710-W1723 HydrophobicContact CG2-CB 4.47Å; V1710-W1723 HydrophobicContact CG2-CE3 3.99Å; V1710-W1723 HydrophobicContact CG2-CZ3 4.18Å; W1723-K1725 PolarHBondContact O-N 2.96Å; W1723-W1779 AromaticContact CD1-CZ3 3.95Å; W1723-W1779 HydrophobicContact CD2-CZ3 4.37Å; W1723-W1779 AromaticContact CE2-CE3 3.81Å; W1723-W1779 AromaticContact CE2-CZ3 3.8Å; W1723-W1779 HydrophobicContact CH2-CE3 4.37Å; W1723-W1779 AromaticContact CZ2-CE3 3.73Å; W1723-W1779 HydrophobicContact CZ2-CE3 3.73Å; W1723-W1779 HydrophobicContact CZ2-CZ3 4.21Å; W1723-W1779 AromaticContact NE1-CE3 3.8Å; W1723-W1779 AromaticContact NE1-CZ3 3.52Å; W1723-P1780 HydrophobicContact CZ2-CG 4.18Å; W1723-P1780 VanDerWaalsContact CZ2-O 3.28Å; W1723-P1780 WeakPolarHBondContact CZ2-O 3.35Å; W1723-P1780 PolarHBondContact NE1-O 3.4Å; W1723-P1780 VanDerWaalsContact NE1-O 3.13Å; W1723-S1781 VanDerWaalsContact CD1-O 3.25Å; W1723-S1781 PolarHBondContact NE1-O 2.9Å; W1723-S1781 VanDerWaalsContact NE1-O 3.1Å; W1723-P1783 HydrophobicContact CB-CG 4.41Å; W1723-P1783 HydrophobicContact CD2-CB 4.29Å; W1723-P1783 HydrophobicContact CD2-CG 3.79Å; W1723-P1783 HydrophobicContact CE3-CB 4.21Å; W1723-P1783 HydrophobicContact CE3-CG 3.85Å; W1723-P1783 HydrophobicContact CG-CG 4.03Å; W1723-P1783 HydrophobicContact CH2-CB 4.3Å; W1723-P1783 HydrophobicContact CH2-CG 4.06Å; W1723-P1783 HydrophobicContact CZ2-CB 4.47Å; W1723-P1783 HydrophobicContact CZ2-CG 4.25Å; W1723-P1783 HydrophobicContact CZ3-CB 4.29Å; W1723-P1783 HydrophobicContact CZ3-CG 4.16Å; W1723-P1818 HydrophobicContact CH2-CB 4.27Å; W1723-P1818 HydrophobicContact CZ2-CB 4.48Å; W1723-P1818 HydrophobicContact CZ3-CB 4.49Å |
| 1724 | S | 82.6 | Confident | 76.4 | Confident | 4.8 Ų | 4.8 | 63.2 Ų | 63.2 | 3% | 0.034 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 128.9 | -175.6 | 177.9 | 0 | 0 | 0 | 0 | 110.8 | F1722 Q1726 T1727 W1779 P1817 P1818 | F1722-S1724 PolarHBondContact O-N 2.85Å; S1724-Q1726 VanDerWaalsContact C-N 3.34Å; S1724-Q1726 PolarHBondContact OG-N 3.08Å; S1724-Q1726 VanDerWaalsContact OG-N 3.16Å; S1724-Q1726 PolarHBondContact OG-O 2.98Å; S1724-Q1726 VanDerWaalsContact OG-O 3.09Å; S1724-T1727 WeakPolarHBondContact O-CG2 3.41Å; S1724-W1779 WeakPolarHBondContact O-CH2 3.3Å; S1724-W1779 WeakPolarHBondContact O-CZ3 3.14Å; S1724-P1817 WeakPolarHBondContact CB-O 3.43Å; S1724-P1818 WeakPolarHBondContact CB-O 3.35Å; S1724-P1818 PolarHBondContact N-O 3.08Å |
| 1725 | K | 78.9 | Confident | 74.4 | Confident | 186.2 Ų | 186.2 | 65.1 Ų | 65.1 | 81% | 0.81 | 38% | 0.382 | S | S | * | . | trans | -90.5 | -8.6 | 170.3 | -63.2 | -179.3 | -177.8 | 175.3 | 0 | 112.6 | W1723 T1727 | W1723-K1725 PolarHBondContact O-N 2.96Å; K1725-T1727 PolarHBondContact O-N 3.13Å | ||
| 1726 | Q | 77.9 | Confident | 72.8 | Confident | 141.4 Ų | 141.4 | 65.4 Ų | 65.4 | 66% | 0.661 | 39% | 0.388 | S | S | * | . | trans | -89.2 | 109.9 | 171.8 | -68.2 | -177.5 | 0.1 | 0 | 0 | 107.9 | S1724 L1816 | S1724-Q1726 VanDerWaalsContact C-N 3.34Å; S1724-Q1726 PolarHBondContact OG-N 3.08Å; S1724-Q1726 VanDerWaalsContact OG-N 3.16Å; S1724-Q1726 PolarHBondContact OG-O 2.98Å; S1724-Q1726 VanDerWaalsContact OG-O 3.09Å; Q1726-L1816 HydrophobicContact CB-CD1 3.77Å; Q1726-L1816 HydrophobicContact CB-CD2 4.07Å; Q1726-L1816 HydrophobicContact CB-CG 4.42Å; Q1726-L1816 VanDerWaalsContact O-CD2 3.23Å; Q1726-L1816 WeakPolarHBondContact O-CD2 3.36Å | ||
| 1727 | T | 78.5 | Confident | 71 | Confident | 54.4 Ų | 54.4 | 63.5 Ų | 63.5 | 33% | 0.334 | 39% | 0.391 | S | S | . | . | trans | -135.6 | 155.2 | -171.5 | 71.3 | 0 | 0 | 0 | 0 | 111.1 | S1724 K1725 W1779 N1810 | S1724-T1727 WeakPolarHBondContact O-CG2 3.41Å; K1725-T1727 PolarHBondContact O-N 3.13Å; T1727-W1779 HydrophobicContact CG2-CH2 3.51Å; T1727-W1779 VanDerWaalsContact CG2-CH2 3.45Å; T1727-W1779 HydrophobicContact CG2-CZ2 3.79Å; T1727-W1779 HydrophobicContact CG2-CZ3 4.29Å; T1727-N1810 VanDerWaalsContact CB-CG 3.4Å; T1727-N1810 VanDerWaalsContact CB-OD1 3.29Å; T1727-N1810 WeakPolarHBondContact CB-OD1 3.34Å; T1727-N1810 HydrophobicContact CG2-CB 4.41Å; T1727-N1810 VanDerWaalsContact CG2-ND2 3.3Å; T1727-N1810 WeakPolarHBondContact CG2-ND2 3.46Å; T1727-N1810 PolarHBondContact OG1-OD1 3.01Å | ||
| 1728 | I | 77.5 | Confident | 69 | Low | 69.8 Ų | 69.8 | 62.5 Ų | 62.5 | 36% | 0.358 | 39% | 0.387 | S | S | . | . | trans | -111.8 | 109.4 | 169.1 | -59.9 | 172.3 | 0 | 0 | 0 | 106.1 | N1810 I1811 T1813 L1816 | I1728-N1810 CarbonylContact O-C 3.51Å; I1728-N1810 VanDerWaalsContact O-CA 3.26Å; I1728-N1810 WeakPolarHBondContact O-CA 3.35Å; I1728-N1810 WeakPolarHBondContact O-CB 3.34Å; I1728-I1811 HydrophobicContact CB-CB 4.48Å; I1728-I1811 HydrophobicContact CG2-CB 4.5Å; I1728-I1811 HydrophobicContact CG2-CD1 4.23Å; I1728-I1811 PolarHBondContact O-N 3.07Å; I1728-T1813 HydrophobicContact CD1-CG2 4.11Å; I1728-L1816 HydrophobicContact CD1-CD1 3.86Å; I1728-L1816 HydrophobicContact CG1-CD1 3.99Å; I1728-L1816 HydrophobicContact CG1-CD2 4.21Å | ||
| 1729 | P | 79.4 | Confident | 66.4 | Low | 54.8 Ų | 54.8 | 66.4 Ų | 66.4 | 36% | 0.356 | 41% | 0.413 | S | S | . | . | B | Isolated β-bridge | trans | -66.5 | 145 | -177.7 | 28 | -34.5 | 0 | 0 | 0 | 110.8 | V1731 S1732 I1811 | P1729-V1731 HydrophobicContact CG-CG2 4.43Å; P1729-V1731 PolarHBondContact O-N 3.09Å; P1729-S1732 PolarHBondContact O-N 2.86Å; P1729-I1811 WeakPolarHBondContact O-CD1 3.33Å |
| 1730 | L | 77.5 | Confident | 64 | Low | 12.6 Ų | 12.6 | 72 Ų | 72 | 7% | 0.066 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -63.1 | -19 | -179.3 | -149 | 79.1 | 0 | 0 | 0 | 112.6 | L1412 I1503 I1776 V1778 I1806 L1809 N1810 I1811 | L1412-L1730 HydrophobicContact CD2-CD2 4.13Å; I1503-L1730 HydrophobicContact CD1-CB 3.96Å; I1503-L1730 HydrophobicContact CD1-CD1 4.34Å; I1503-L1730 HydrophobicContact CD1-CD2 4.13Å; I1503-L1730 HydrophobicContact CD1-CG 3.84Å; I1503-L1730 HydrophobicContact CG1-CB 4.34Å; I1503-L1730 HydrophobicContact CG2-CD1 3.98Å; I1503-L1730 HydrophobicContact CG2-CD2 4.08Å; L1730-I1776 HydrophobicContact CD1-CD1 4.2Å; L1730-I1776 HydrophobicContact CD2-CD1 4.34Å; L1730-V1778 HydrophobicContact CD1-CB 4.23Å; L1730-V1778 HydrophobicContact CD1-CG1 3.95Å; L1730-V1778 HydrophobicContact CD2-CG1 4.09Å; L1730-V1778 HydrophobicContact CG-CG1 4.41Å; L1730-I1806 HydrophobicContact CB-CG2 4.27Å; L1730-I1806 HydrophobicContact CD1-CG2 4.27Å; L1730-I1806 HydrophobicContact CD2-CG2 4.1Å; L1730-L1809 HydrophobicContact CB-CB 4.23Å; L1730-L1809 VanDerWaalsContact CB-O 3.24Å; L1730-L1809 WeakPolarHBondContact CB-O 3.37Å; L1730-L1809 HydrophobicContact CD1-CB 3.77Å; L1730-L1809 VanDerWaalsContact CD1-CB 3.45Å; L1730-L1809 HydrophobicContact CD1-CD1 4.44Å; L1730-L1809 HydrophobicContact CD2-CB 4.02Å; L1730-L1809 HydrophobicContact CD2-CD1 4.16Å; L1730-L1809 PolarHBondContact N-O 2.8Å; L1730-N1810 VanDerWaalsContact CD1-C 3.42Å; L1730-I1811 HydrophobicContact CB-CG1 4.43Å; L1730-I1811 HydrophobicContact CD1-CB 4.47Å; L1730-I1811 HydrophobicContact CD1-CD1 4.18Å; L1730-I1811 HydrophobicContact CD1-CG1 3.63Å; L1730-I1811 HydrophobicContact CD2-CD1 4.32Å; L1730-I1811 HydrophobicContact CD2-CG1 3.56Å; L1730-I1811 HydrophobicContact CG-CG1 4.12Å |
| 1731 | V | 70.9 | Confident | 61.1 | Low | 48.4 Ų | 48.4 | 78.5 Ų | 78.5 | 29% | 0.293 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -115.2 | 107.4 | 176.1 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | I1503 P1729 G1733 S1734 I1806 E1807 | I1503-V1731 HydrophobicContact CD1-CG2 4Å; I1503-V1731 HydrophobicContact CG1-CG2 4.25Å; P1729-V1731 HydrophobicContact CG-CG2 4.43Å; P1729-V1731 PolarHBondContact O-N 3.09Å; V1731-G1733 PolarHBondContact O-N 3.25Å; V1731-S1734 PolarHBondContact N-OG 2.87Å; V1731-S1734 VanDerWaalsContact N-OG 3.1Å; V1731-S1734 VanDerWaalsContact O-CB 3.29Å; V1731-S1734 WeakPolarHBondContact O-CB 3.45Å; V1731-S1734 PolarHBondContact O-N 3.22Å; V1731-S1734 VanDerWaalsContact O-N 3.14Å; V1731-S1734 PolarHBondContact O-OG 3.24Å; V1731-I1806 HydrophobicContact CB-CG2 4.49Å; V1731-I1806 HydrophobicContact CG2-CG2 3.67Å; V1731-E1807 HydrophobicContact CG2-CG 4.02Å |
| 1732 | S | 58.4 | Low | 58.5 | Low | 69.6 Ų | 69.6 | 82.2 Ų | 82.2 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | trans | -75.6 | 118.1 | 172.7 | -86.9 | 0 | 0 | 0 | 0 | 110.9 | S1502 P1729 S1734 | S1502-S1732 WeakPolarHBondContact CB-OG 3.06Å; S1502-S1732 WeakPolarHBondContact O-CA 3.38Å; S1502-S1732 PolarHBondContact O-OG 2.88Å; P1729-S1732 PolarHBondContact O-N 2.86Å; S1732-S1734 VanDerWaalsContact C-N 3.34Å; S1732-S1734 PolarHBondContact O-N 3.21Å | ||
| 1733 | G | 49.3 | Very low | 55.8 | Low | 67.8 Ų | 67.8 | 87.1 Ų | 87.1 | 70% | 0.699 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -29.2 | 32.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | S1502 I1503 V1731 G1735 T1736 | S1502-G1733 PolarHBondContact O-N 3.01Å; I1503-G1733 CarbonylContact O-C 3.46Å; I1503-G1733 VanDerWaalsContact O-C 3.26Å; I1503-G1733 WeakPolarHBondContact O-CA 3.39Å; I1503-G1733 PolarHBondContact O-N 3.15Å; V1731-G1733 PolarHBondContact O-N 3.25Å; G1733-G1735 PolarHBondContact O-N 2.77Å; G1733-G1735 VanDerWaalsContact O-N 3.1Å; G1733-T1736 WeakPolarHBondContact O-CB 3.48Å; G1733-T1736 PolarHBondContact O-N 3.34Å; G1733-T1736 PolarHBondContact O-OG1 2.83Å |
| 1734 | S | 41.3 | Very low | 53.1 | Low | 73.6 Ų | 73.6 | 92.4 Ų | 92.4 | 52% | 0.515 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -136.8 | 113.8 | 175.8 | -172.7 | 0 | 0 | 0 | 0 | 112.3 | I1503 V1731 S1732 T1736 I1811 | I1503-S1734 PolarHBondContact O-N 2.99Å; V1731-S1734 PolarHBondContact N-OG 2.87Å; V1731-S1734 VanDerWaalsContact N-OG 3.1Å; V1731-S1734 VanDerWaalsContact O-CB 3.29Å; V1731-S1734 WeakPolarHBondContact O-CB 3.45Å; V1731-S1734 PolarHBondContact O-N 3.22Å; V1731-S1734 VanDerWaalsContact O-N 3.14Å; V1731-S1734 PolarHBondContact O-OG 3.24Å; S1732-S1734 VanDerWaalsContact C-N 3.34Å; S1732-S1734 PolarHBondContact O-N 3.21Å; S1734-T1736 VanDerWaalsContact C-N 3.33Å; S1734-T1736 PolarHBondContact O-N 3.16Å; S1734-T1736 PolarHBondContact OG-OG1 3.5Å; S1734-I1811 VanDerWaalsContact OG-CD1 3.29Å; S1734-I1811 WeakPolarHBondContact OG-CD1 3.2Å |
| 1735 | G | 39.5 | Very low | 50.6 | Low | 66.2 Ų | 66.2 | 96.8 Ų | 96.8 | 68% | 0.682 | 58% | 0.584 | S | S | * | * | trans | -99.3 | 29.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | I1503 G1733 G1737 | I1503-G1735 PolarHBondContact O-N 3.33Å; G1733-G1735 PolarHBondContact O-N 2.77Å; G1733-G1735 VanDerWaalsContact O-N 3.1Å; G1735-G1737 VanDerWaalsContact C-N 3.31Å; G1735-G1737 PolarHBondContact O-N 3.17Å | ||
| 1736 | T | 39.6 | Very low | 48.2 | Very low | 105.2 Ų | 105.2 | 96.3 Ų | 96.3 | 65% | 0.645 | 58% | 0.584 | S | S | * | * | trans | -89.8 | 78.4 | 173.9 | 51.8 | 0 | 0 | 0 | 0 | 111.1 | F1504 G1733 S1734 I1738 | F1504-T1736 WeakPolarHBondContact O-CG2 3.46Å; G1733-T1736 WeakPolarHBondContact O-CB 3.48Å; G1733-T1736 PolarHBondContact O-N 3.34Å; G1733-T1736 PolarHBondContact O-OG1 2.83Å; S1734-T1736 VanDerWaalsContact C-N 3.33Å; S1734-T1736 PolarHBondContact O-N 3.16Å; S1734-T1736 PolarHBondContact OG-OG1 3.5Å; T1736-I1738 PolarHBondContact O-N 2.9Å; T1736-I1738 VanDerWaalsContact O-N 3.08Å | ||
| 1737 | G | 35.6 | Very low | 46 | Very low | 72.2 Ų | 72.2 | 94.9 Ų | 94.9 | 74% | 0.744 | 59% | 0.59 | S | S | * | * | trans | -91.6 | 52.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G1735 T1739 | G1735-G1737 VanDerWaalsContact C-N 3.31Å; G1735-G1737 PolarHBondContact O-N 3.17Å; G1737-T1739 PolarHBondContact O-N 3.3Å; G1737-T1739 VanDerWaalsContact O-N 3.16Å | ||
| 1738 | I | 37.9 | Very low | 43.7 | Very low | 112.6 Ų | 112.6 | 97.9 Ų | 97.9 | 58% | 0.577 | 61% | 0.612 | S | S | * | * | trans | -93.2 | 89.6 | 167.4 | -52.5 | 177.8 | 0 | 0 | 0 | 107.4 | T1736 Y1740 S1754 M1762 I1776 | T1736-I1738 PolarHBondContact O-N 2.9Å; T1736-I1738 VanDerWaalsContact O-N 3.08Å; I1738-Y1740 HydrophobicContact CB-CE2 4.26Å; I1738-Y1740 HydrophobicContact CG2-CD2 4.36Å; I1738-Y1740 HydrophobicContact CG2-CE2 4.1Å; I1738-Y1740 WeakPolarHBondContact O-CD2 3.48Å; I1738-Y1740 PolarHBondContact O-N 3.2Å; I1738-S1754 VanDerWaalsContact CD1-OG 3.23Å; I1738-S1754 WeakPolarHBondContact CD1-OG 3.49Å; I1738-M1762 HydrophobicContact CD1-CE 3.76Å; I1738-M1762 HydrophobicContact CG2-CE 4.29Å; I1738-I1776 HydrophobicContact CD1-CB 4.25Å; I1738-I1776 HydrophobicContact CD1-CD1 4.43Å; I1738-I1776 HydrophobicContact CD1-CG1 3.98Å | ||
| 1739 | T | 32 | Very low | 41.7 | Very low | 121 Ų | 121 | 100.5 Ų | 100.5 | 74% | 0.742 | 63% | 0.634 | S | S | * | * | trans | -67.7 | 108.4 | 172.2 | 43.6 | 0 | 0 | 0 | 0 | 109.9 | G1737 D1741 | G1737-T1739 PolarHBondContact O-N 3.3Å; G1737-T1739 VanDerWaalsContact O-N 3.16Å; T1739-D1741 VanDerWaalsContact C-N 3.32Å; T1739-D1741 PolarHBondContact O-N 2.84Å; T1739-D1741 VanDerWaalsContact O-N 3.11Å | ||
| 1740 | Y | 35.2 | Very low | 39.4 | Very low | 157.2 Ų | 157.2 | 103.4 Ų | 103.4 | 62% | 0.616 | 66% | 0.656 | S | S | * | * | trans | -71.7 | 95.2 | 169.6 | -94.6 | -88.6 | 0 | 0 | 0 | 109.7 | I1738 P1742 M1762 I1811 | I1738-Y1740 HydrophobicContact CB-CE2 4.26Å; I1738-Y1740 HydrophobicContact CG2-CD2 4.36Å; I1738-Y1740 HydrophobicContact CG2-CE2 4.1Å; I1738-Y1740 WeakPolarHBondContact O-CD2 3.48Å; I1738-Y1740 PolarHBondContact O-N 3.2Å; Y1740-P1742 WeakPolarHBondContact O-CD 3.42Å; Y1740-M1762 HydrophobicContact CE1-CE 4.19Å; Y1740-M1762 HydrophobicContact CE1-SD 4.08Å; Y1740-M1762 VanDerWaalsContact OH-CE 3.24Å; Y1740-M1762 WeakPolarHBondContact OH-CE 3.07Å; Y1740-I1811 HydrophobicContact CE2-CD1 4.06Å | ||
| 1741 | D | 29.4 | Very low | 37.3 | Very low | 139 Ų | 139 | 108.2 Ų | 108.2 | 74% | 0.743 | 69% | 0.687 | S | S | * | * | trans | -81.5 | 120.8 | 168 | -110.9 | -26.4 | 0 | 0 | 0 | 109.2 | T1739 I1743 | T1739-D1741 VanDerWaalsContact C-N 3.32Å; T1739-D1741 PolarHBondContact O-N 2.84Å; T1739-D1741 VanDerWaalsContact O-N 3.11Å; D1741-I1743 VanDerWaalsContact C-N 3.29Å; D1741-I1743 HydrophobicContact CB-CG1 4.41Å; D1741-I1743 PolarHBondContact O-N 3.22Å | ||
| 1742 | P | 33.7 | Very low | 35.3 | Very low | 106.2 Ų | 106.2 | 109.8 Ų | 109.8 | 69% | 0.69 | 70% | 0.701 | S | S | * | * | trans | -80.5 | 84.3 | -177.9 | 25.3 | -23.2 | 0 | 0 | 0 | 111.6 | Y1740 T1744 | Y1740-P1742 WeakPolarHBondContact O-CD 3.42Å; P1742-T1744 PolarHBondContact O-N 3.07Å; P1742-T1744 VanDerWaalsContact O-N 3.09Å | ||
| 1743 | I | 30.6 | Very low | 34.1 | Very low | 152 Ų | 152 | 112.3 Ų | 112.3 | 78% | 0.779 | 72% | 0.715 | S | S | * | * | trans | -113.7 | 109.5 | 178.1 | -53.7 | 172.7 | 0 | 0 | 0 | 111.8 | D1741 | D1741-I1743 VanDerWaalsContact C-N 3.29Å; D1741-I1743 HydrophobicContact CB-CG1 4.41Å; D1741-I1743 PolarHBondContact O-N 3.22Å | ||
| 1744 | T | 30.3 | Very low | 33.5 | Very low | 124.4 Ų | 124.4 | 112.7 Ų | 112.7 | 76% | 0.763 | 71% | 0.708 | S | S | * | * | trans | -110.7 | 102.9 | 163 | 37.3 | 0 | 0 | 0 | 0 | 113.3 | P1742 H1746 | P1742-T1744 PolarHBondContact O-N 3.07Å; P1742-T1744 VanDerWaalsContact O-N 3.09Å; T1744-H1746 PolarHBondContact O-N 3.22Å | ||
| 1745 | S | 28.3 | Very low | 33.1 | Very low | 99.2 Ų | 99.2 | 114.2 Ų | 114.2 | 69% | 0.694 | 71% | 0.71 | S | S | * | * | trans | -55.4 | 127.3 | 156.5 | 52.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1746 | H | 29.4 | Very low | 32.6 | Very low | 174.6 Ų | 174.6 | 120.7 Ų | 120.7 | 81% | 0.808 | 71% | 0.714 | S | S | * | * | trans | 125.3 | 124.9 | 156.6 | -65.8 | -60 | 0 | 0 | 0 | 116.5 | T1744 | T1744-H1746 PolarHBondContact O-N 3.22Š| ||
| 1747 | S | 31.6 | Very low | 32.4 | Very low | 112.8 Ų | 112.8 | 121.9 Ų | 121.9 | 79% | 0.789 | 71% | 0.71 | S | S | * | * | trans | 83.9 | 111 | 156.6 | 64.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1748 | S | 31.4 | Very low | 32.5 | Very low | 116 Ų | 116 | 122.8 Ų | 122.8 | 81% | 0.811 | 69% | 0.692 | S | S | * | * | trans | -112.2 | 146.9 | 151 | -55.3 | 0 | 0 | 0 | 0 | 114.9 | S1750 | S1748-S1750 PolarHBondContact O-N 3.09Š| ||
| 1749 | P | 34.4 | Very low | 32.1 | Very low | 125.2 Ų | 125.2 | 121.2 Ų | 121.2 | 81% | 0.813 | 69% | 0.691 | S | S | * | * | trans | -107.4 | 142.3 | -165.4 | 22.7 | -9.2 | 0 | 0 | 0 | 114 | P1751 | P1749-P1751 VanDerWaalsContact O-CD 3.27Å; P1749-P1751 WeakPolarHBondContact O-CD 3.36Å; P1749-P1751 VanDerWaalsContact O-N 3.08Å | ||
| 1750 | S | 30.4 | Very low | 32.1 | Very low | 116 Ų | 116 | 120.6 Ų | 120.6 | 81% | 0.811 | 68% | 0.683 | S | S | * | * | trans | -95.1 | 132.5 | 160.8 | 74 | 0 | 0 | 0 | 0 | 112.4 | S1748 S1752 | S1748-S1750 PolarHBondContact O-N 3.09Å; S1750-S1752 PolarHBondContact O-N 3.38Å | ||
| 1751 | P | 33.2 | Very low | 32 | Very low | 112 Ų | 112 | 117.7 Ų | 117.7 | 73% | 0.727 | 68% | 0.681 | S | S | * | * | trans | -95.8 | 154 | -178.6 | 32.9 | -27 | 0 | 0 | 0 | 113.2 | P1749 D1755 | P1749-P1751 VanDerWaalsContact O-CD 3.27Å; P1749-P1751 WeakPolarHBondContact O-CD 3.36Å; P1749-P1751 VanDerWaalsContact O-N 3.08Å; P1751-D1755 HydrophobicContact CB-CB 4.1Å; P1751-D1755 WeakPolarHBondContact CB-OD2 3.44Å; P1751-D1755 HydrophobicContact CG-CB 4.32Å | ||
| 1752 | S | 30.3 | Very low | 32.1 | Very low | 82.2 Ų | 82.2 | 117.8 Ų | 117.8 | 58% | 0.575 | 68% | 0.679 | S | S | * | * | trans | -99.3 | 157.5 | 178.4 | 61.1 | 0 | 0 | 0 | 0 | 112.6 | S1750 S1754 D1755 | S1750-S1752 PolarHBondContact O-N 3.38Å; S1752-S1754 VanDerWaalsContact C-N 3.29Å; S1752-S1754 PolarHBondContact O-N 3.06Å; S1752-S1754 PolarHBondContact OG-OG 3.46Å; S1752-D1755 PolarHBondContact N-OD2 3Å; S1752-D1755 PolarHBondContact O-N 2.93Å; S1752-D1755 VanDerWaalsContact O-N 3.09Å; S1752-D1755 PolarHBondContact OG-OD2 3.39Å | ||
| 1753 | P | 33.1 | Very low | 32.1 | Very low | 122.4 Ų | 122.4 | 118.6 Ų | 118.6 | 80% | 0.795 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 19.9 | -170.1 | 2.9 | 9.5 | 0 | 0 | 0 | 114.8 | D1755 R1756 | P1753-D1755 VanDerWaalsContact C-N 3.34Å; P1753-D1755 PolarHBondContact O-N 2.81Å; P1753-R1756 PolarHBondContact O-N 3.19Å |
| 1754 | S | 35.7 | Very low | 32.1 | Very low | 76.8 Ų | 76.8 | 119.2 Ų | 119.2 | 54% | 0.537 | 67% | 0.671 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.6 | -36.1 | 176.4 | 33.7 | 0 | 0 | 0 | 0 | 113.5 | I1738 S1752 R1756 F1757 | I1738-S1754 VanDerWaalsContact CD1-OG 3.23Å; I1738-S1754 WeakPolarHBondContact CD1-OG 3.49Å; S1752-S1754 VanDerWaalsContact C-N 3.29Å; S1752-S1754 PolarHBondContact O-N 3.06Å; S1752-S1754 PolarHBondContact OG-OG 3.46Å; S1754-R1756 VanDerWaalsContact C-N 3.33Å; S1754-R1756 PolarHBondContact O-N 3.31Å; S1754-F1757 WeakPolarHBondContact O-CD2 3.2Å |
| 1755 | D | 32.8 | Very low | 32.2 | Very low | 104.8 Ų | 104.8 | 117.2 Ų | 117.2 | 56% | 0.56 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -87.7 | 17.7 | -169.3 | -66.4 | -39 | 0 | 0 | 0 | 113.7 | S1506 P1751 S1752 P1753 F1757 Y1758 S1759 | S1506-D1755 PolarHBondContact OG-OD1 3.27Å; P1751-D1755 HydrophobicContact CB-CB 4.1Å; P1751-D1755 WeakPolarHBondContact CB-OD2 3.44Å; P1751-D1755 HydrophobicContact CG-CB 4.32Å; S1752-D1755 PolarHBondContact N-OD2 3Å; S1752-D1755 PolarHBondContact O-N 2.93Å; S1752-D1755 VanDerWaalsContact O-N 3.09Å; S1752-D1755 PolarHBondContact OG-OD2 3.39Å; P1753-D1755 VanDerWaalsContact C-N 3.34Å; P1753-D1755 PolarHBondContact O-N 2.81Å; D1755-F1757 PolarHBondContact O-N 3.05Å; D1755-F1757 VanDerWaalsContact O-N 3.13Å; D1755-Y1758 PolarHBondContact O-N 2.86Å; D1755-Y1758 VanDerWaalsContact O-N 3.11Å; D1755-S1759 PolarHBondContact O-N 2.03Å; D1755-S1759 PolarHBondContact O-OG 2.85Å |
| 1756 | R | 30.4 | Very low | 32.5 | Very low | 203.4 Ų | 203.4 | 115.9 Ų | 115.9 | 77% | 0.768 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -86.8 | 8.7 | -177.2 | -87.9 | -174 | 177.8 | -177.3 | -0.1 | 114.9 | P1753 S1754 Y1758 S1759 | P1753-R1756 PolarHBondContact O-N 3.19Å; S1754-R1756 VanDerWaalsContact C-N 3.33Å; S1754-R1756 PolarHBondContact O-N 3.31Å; R1756-Y1758 PolarHBondContact O-N 3.1Å; R1756-S1759 PolarHBondContact O-N 3.48Å |
| 1757 | F | 34.4 | Very low | 32.6 | Very low | 129.8 Ų | 129.8 | 113.2 Ų | 113.2 | 57% | 0.569 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -83.7 | 1 | 175 | -80.9 | -85 | 0 | 0 | 0 | 112.2 | E1614 S1754 D1755 | E1614-F1757 VanDerWaalsContact CD-CE1 3.45Å; E1614-F1757 HydrophobicContact CG-CE1 4.3Å; E1614-F1757 WeakPolarHBondContact OE1-CE1 3.34Å; E1614-F1757 WeakPolarHBondContact OE1-CZ 3.39Å; S1754-F1757 WeakPolarHBondContact O-CD2 3.2Å; D1755-F1757 PolarHBondContact O-N 3.05Å; D1755-F1757 VanDerWaalsContact O-N 3.13Å |
| 1758 | Y | 39.1 | Very low | 33 | Very low | 92.2 Ų | 92.2 | 110.9 Ų | 110.9 | 36% | 0.362 | 64% | 0.643 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -123.1 | 12.3 | -176.8 | -59.4 | -71 | 0 | 0 | 0 | 116.2 | P1408 L1409 I1503 D1755 R1756 N1760 I1811 Y1812 P1817 Y1819 | P1408-Y1758 VanDerWaalsContact CB-OH 3.27Å; P1408-Y1758 WeakPolarHBondContact CB-OH 3.17Å; L1409-Y1758 HydrophobicContact CD1-CE1 4.43Å; I1503-Y1758 WeakPolarHBondContact O-CD2 3.5Å; D1755-Y1758 PolarHBondContact O-N 2.86Å; D1755-Y1758 VanDerWaalsContact O-N 3.11Å; R1756-Y1758 PolarHBondContact O-N 3.1Å; Y1758-N1760 PolarHBondContact O-N 3.25Å; Y1758-N1760 VanDerWaalsContact O-N 3.11Å; Y1758-I1811 HydrophobicContact CE1-CD1 4.15Å; Y1758-Y1812 VanDerWaalsContact CB-OH 3.28Å; Y1758-Y1812 WeakPolarHBondContact CB-OH 3.32Å; Y1758-Y1812 HydrophobicContact CD1-CE2 4.22Å; Y1758-Y1812 AromaticContact CD1-CZ 3.85Å; Y1758-Y1812 WeakPolarHBondContact CD1-OH 3.36Å; Y1758-Y1812 WeakPolarHBondContact CD2-OH 3.45Å; Y1758-Y1812 HydrophobicContact CE1-CE2 4.08Å; Y1758-Y1812 PolarHBondContact O-OH 3.3Å; Y1758-P1817 WeakPolarHBondContact OH-CB 3.15Å; Y1758-Y1819 HydrophobicContact CE2-CE1 4.24Å; Y1758-Y1819 HydrophobicContact CE2-CE2 4.25Å; Y1758-Y1819 AromaticContact CE2-CZ 3.69Å; Y1758-Y1819 VanDerWaalsContact CE2-OH 3.24Å; Y1758-Y1819 WeakPolarHBondContact CE2-OH 3.49Å; Y1758-Y1819 AromaticContact CZ-CZ 3.94Å; Y1758-Y1819 WeakPolarHBondContact OH-CE1 3.25Å; Y1758-Y1819 VanDerWaalsContact OH-CZ 3.3Å; Y1758-Y1819 PolarHBondContact OH-OH 3.34Å |
| 1759 | S | 29.4 | Very low | 33.4 | Very low | 78.6 Ų | 78.6 | 107.7 Ų | 107.7 | 55% | 0.55 | 62% | 0.618 | S | S | . | * | trans | -91.8 | 50.7 | 175 | 62 | 0 | 0 | 0 | 0 | 113.5 | D1755 R1756 T1761 | D1755-S1759 PolarHBondContact O-N 2.03Å; D1755-S1759 PolarHBondContact O-OG 2.85Å; R1756-S1759 PolarHBondContact O-N 3.48Å; S1759-T1761 VanDerWaalsContact C-N 3.26Å; S1759-T1761 PolarHBondContact O-N 3.34Å; S1759-T1761 PolarHBondContact O-OG1 2.79Å | ||
| 1760 | N | 32 | Very low | 33.9 | Very low | 108.8 Ų | 108.8 | 107 Ų | 107 | 58% | 0.582 | 62% | 0.616 | S | S | * | * | trans | -109.9 | 48.2 | -179.7 | -87.7 | -7.8 | 0 | 0 | 0 | 113.9 | K1611 Y1758 M1762 Y1812 P1814 | K1611-N1760 WeakPolarHBondContact CB-O 3.36Å; K1611-N1760 HydrophobicContact CD-CB 4.22Å; K1611-N1760 WeakPolarHBondContact CD-O 3.21Å; K1611-N1760 VanDerWaalsContact CE-O 3.25Å; K1611-N1760 WeakPolarHBondContact CE-O 3.03Å; K1611-N1760 WeakPolarHBondContact CG-O 3.06Å; Y1758-N1760 PolarHBondContact O-N 3.25Å; Y1758-N1760 VanDerWaalsContact O-N 3.11Å; N1760-M1762 VanDerWaalsContact C-N 3.26Å; N1760-M1762 PolarHBondContact O-N 3.09Å; N1760-Y1812 PolarHBondContact ND2-O 3.19Å; N1760-Y1812 VanDerWaalsContact OD1-CD1 3.25Å; N1760-Y1812 WeakPolarHBondContact OD1-CD1 3.22Å; N1760-Y1812 WeakPolarHBondContact OD1-CE1 3.41Å; N1760-P1814 HydrophobicContact CB-CG 4.17Å | ||
| 1761 | T | 32.1 | Very low | 35.1 | Very low | 94.4 Ų | 94.4 | 106.4 Ų | 106.4 | 58% | 0.579 | 60% | 0.604 | S | S | * | * | trans | -84 | 108.9 | 170 | 3.9 | 0 | 0 | 0 | 0 | 110.9 | E1608 K1611 S1759 L1763 | E1608-T1761 HydrophobicContact CB-CG2 4.32Å; E1608-T1761 WeakPolarHBondContact OE2-CB 3.37Å; E1608-T1761 PolarHBondContact OE2-OG1 3.03Å; K1611-T1761 WeakPolarHBondContact CE-O 3.07Å; K1611-T1761 PolarHBondContact NZ-O 3.32Å; S1759-T1761 VanDerWaalsContact C-N 3.26Å; S1759-T1761 PolarHBondContact O-N 3.34Å; S1759-T1761 PolarHBondContact O-OG1 2.79Å; T1761-L1763 VanDerWaalsContact C-N 3.34Å; T1761-L1763 HydrophobicContact CG2-CD1 3.69Å; T1761-L1763 PolarHBondContact O-N 3.35Å | ||
| 1762 | M | 32.6 | Very low | 36.3 | Very low | 142.8 Ų | 142.8 | 102.8 Ų | 102.8 | 70% | 0.703 | 58% | 0.577 | S | S | * | * | trans | -73.2 | 110.6 | 168.9 | -78 | -150 | -179.5 | 0 | 0 | 111.3 | E1608 W1609 K1611 I1738 Y1740 N1760 Y1764 | E1608-M1762 WeakPolarHBondContact CA-O 3.02Å; W1609-M1762 PolarHBondContact N-O 3.34Å; W1609-M1762 PolarHBondContact O-N 3.09Å; K1611-M1762 HydrophobicContact CD-CE 4.16Å; K1611-M1762 HydrophobicContact CD-CG 4.36Å; K1611-M1762 HydrophobicContact CD-SD 4.4Å; K1611-M1762 HydrophobicContact CG-CE 4.02Å; K1611-M1762 HydrophobicContact CG-CG 3.58Å; K1611-M1762 HydrophobicContact CG-SD 4.19Å; I1738-M1762 HydrophobicContact CD1-CE 3.76Å; I1738-M1762 HydrophobicContact CG2-CE 4.29Å; Y1740-M1762 HydrophobicContact CE1-CE 4.19Å; Y1740-M1762 HydrophobicContact CE1-SD 4.08Å; Y1740-M1762 VanDerWaalsContact OH-CE 3.24Å; Y1740-M1762 WeakPolarHBondContact OH-CE 3.07Å; N1760-M1762 VanDerWaalsContact C-N 3.26Å; N1760-M1762 PolarHBondContact O-N 3.09Å; M1762-Y1764 PolarHBondContact O-N 3.21Å | ||
| 1763 | L | 32.2 | Very low | 38.1 | Very low | 122.2 Ų | 122.2 | 104 Ų | 104 | 64% | 0.64 | 58% | 0.576 | S | S | * | * | trans | -106.2 | 110 | 168.2 | -92.6 | 115.3 | 0 | 0 | 0 | 110.2 | T1761 T1765 | T1761-L1763 VanDerWaalsContact C-N 3.34Å; T1761-L1763 HydrophobicContact CG2-CD1 3.69Å; T1761-L1763 PolarHBondContact O-N 3.35Å; L1763-T1765 HydrophobicContact CB-CG2 4.17Å; L1763-T1765 HydrophobicContact CD2-CG2 3.86Å; L1763-T1765 PolarHBondContact O-N 3.14Å; L1763-T1765 VanDerWaalsContact O-N 3.14Å | ||
| 1764 | Y | 31.2 | Very low | 40.1 | Very low | 164.8 Ų | 164.8 | 99.7 Ų | 99.7 | 65% | 0.646 | 55% | 0.551 | S | S | * | * | trans | -6.5 | 94.2 | 156.8 | -99.9 | -95.8 | 0 | 0 | 0 | 112.9 | P1487 I1606 M1762 P1766 | P1487-Y1764 WeakPolarHBondContact CG-OH 3.5Å; I1606-Y1764 WeakPolarHBondContact CG2-O 3.43Å; M1762-Y1764 PolarHBondContact O-N 3.21Å; Y1764-P1766 HydrophobicContact CD1-CG 4.35Å; Y1764-P1766 HydrophobicContact CE1-CB 4.04Å; Y1764-P1766 VanDerWaalsContact CE1-CD 3.46Å; Y1764-P1766 HydrophobicContact CE1-CG 3.78Å; Y1764-P1766 WeakPolarHBondContact O-CD 3.46Å | ||
| 1765 | T | 33.4 | Very low | 42.4 | Very low | 82.8 Ų | 82.8 | 98.3 Ų | 98.3 | 51% | 0.508 | 54% | 0.541 | S | S | . | . | trans | -62.8 | 131.1 | 155.2 | 42.8 | 0 | 0 | 0 | 0 | 109.2 | L1763 S1767 V1769 | L1763-T1765 HydrophobicContact CB-CG2 4.17Å; L1763-T1765 HydrophobicContact CD2-CG2 3.86Å; L1763-T1765 PolarHBondContact O-N 3.14Å; L1763-T1765 VanDerWaalsContact O-N 3.14Å; T1765-S1767 PolarHBondContact O-N 3.15Å; T1765-S1767 VanDerWaalsContact O-N 3.15Å; T1765-V1769 HydrophobicContact CG2-CB 4.06Å; T1765-V1769 HydrophobicContact CG2-CG1 4.22Å | ||
| 1766 | P | 33.4 | Very low | 45 | Very low | 72 Ų | 72 | 94.6 Ų | 94.6 | 47% | 0.468 | 52% | 0.521 | S | S | . | . | trans | -56.7 | 129.9 | 162.2 | -11.7 | 21 | 0 | 0 | 0 | 108.4 | L1364 P1489 Y1764 G1768 V1769 | L1364-P1766 HydrophobicContact CD1-CG 4.39Å; P1489-P1766 HydrophobicContact CB-CG 4Å; Y1764-P1766 HydrophobicContact CD1-CG 4.35Å; Y1764-P1766 HydrophobicContact CE1-CB 4.04Å; Y1764-P1766 VanDerWaalsContact CE1-CD 3.46Å; Y1764-P1766 HydrophobicContact CE1-CG 3.78Å; Y1764-P1766 WeakPolarHBondContact O-CD 3.46Å; P1766-G1768 VanDerWaalsContact C-N 3.33Å; P1766-G1768 PolarHBondContact O-N 3.05Å; P1766-V1769 HydrophobicContact CB-CG2 4.08Å; P1766-V1769 VanDerWaalsContact CD-CG2 3.47Å; P1766-V1769 HydrophobicContact CG-CG2 3.72Å; P1766-V1769 VanDerWaalsContact CG-CG2 3.46Å; P1766-V1769 WeakPolarHBondContact O-CG2 3.27Å; P1766-V1769 PolarHBondContact O-N 3.31Å; P1766-V1769 VanDerWaalsContact O-N 3.12Å | ||
| 1767 | S | 32.7 | Very low | 47.7 | Very low | 116.8 Ų | 116.8 | 87.7 Ų | 87.7 | 82% | 0.817 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 103 | 176.9 | 50.2 | 0 | 0 | 0 | 0 | 109.7 | T1765 | T1765-S1767 PolarHBondContact O-N 3.15Å; T1765-S1767 VanDerWaalsContact O-N 3.15Å |
| 1768 | G | 38.4 | Very low | 50.4 | Low | 65.2 Ų | 65.2 | 81.5 Ų | 81.5 | 67% | 0.672 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 153.6 | -19.3 | -176 | 0 | 0 | 0 | 0 | 0 | 115.2 | R1415 P1766 S1770 | R1415-G1768 PolarHBondContact NH1-O 2.74Å; P1766-G1768 VanDerWaalsContact C-N 3.33Å; P1766-G1768 PolarHBondContact O-N 3.05Å; G1768-S1770 VanDerWaalsContact C-N 3.29Å; G1768-S1770 PolarHBondContact O-N 3.08Å; G1768-S1770 VanDerWaalsContact O-N 3.08Å |
| 1769 | V | 40 | Very low | 52.9 | Low | 48 Ų | 48 | 77.2 Ų | 77.2 | 29% | 0.291 | 45% | 0.453 | S | S | . | . | trans | -103.9 | 62.8 | -178.8 | -163.5 | 0 | 0 | 0 | 0 | 111.7 | I1606 T1765 P1766 N1771 E1772 | I1606-V1769 HydrophobicContact CD1-CG1 4.14Å; I1606-V1769 HydrophobicContact CD1-CG2 4.26Å; T1765-V1769 HydrophobicContact CG2-CB 4.06Å; T1765-V1769 HydrophobicContact CG2-CG1 4.22Å; P1766-V1769 HydrophobicContact CB-CG2 4.08Å; P1766-V1769 VanDerWaalsContact CD-CG2 3.47Å; P1766-V1769 HydrophobicContact CG-CG2 3.72Å; P1766-V1769 VanDerWaalsContact CG-CG2 3.46Å; P1766-V1769 WeakPolarHBondContact O-CG2 3.27Å; P1766-V1769 PolarHBondContact O-N 3.31Å; P1766-V1769 VanDerWaalsContact O-N 3.12Å; V1769-N1771 PolarHBondContact O-N 3.1Å; V1769-N1771 VanDerWaalsContact O-N 3.12Å; V1769-E1772 HydrophobicContact CG1-CG 4.02Å; V1769-E1772 WeakPolarHBondContact CG1-OE1 3.47Å; V1769-E1772 PolarHBondContact O-N 2.82Å | ||
| 1770 | S | 44.9 | Very low | 55.8 | Low | 111.8 Ų | 111.8 | 73.5 Ų | 73.5 | 78% | 0.782 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -5 | -168.2 | 103.2 | 0 | 0 | 0 | 0 | 116.3 | G1768 | G1768-S1770 VanDerWaalsContact C-N 3.29Å; G1768-S1770 PolarHBondContact O-N 3.08Å; G1768-S1770 VanDerWaalsContact O-N 3.08Å |
| 1771 | N | 55.3 | Low | 58.4 | Low | 101.8 Ų | 101.8 | 70.2 Ų | 70.2 | 54% | 0.544 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | 15 | -166.2 | -65.5 | 4.3 | 0 | 0 | 0 | 114.8 | R1415 V1769 I1773 | R1415-N1771 WeakPolarHBondContact CG-O 3.41Å; V1769-N1771 PolarHBondContact O-N 3.1Å; V1769-N1771 VanDerWaalsContact O-N 3.12Å; N1771-I1773 PolarHBondContact O-N 3.2Å |
| 1772 | E | 59.2 | Low | 61 | Low | 37.6 Ų | 37.6 | 69.9 Ų | 69.9 | 18% | 0.176 | 41% | 0.405 | C | S | . | . | trans | -85.1 | 123.8 | 172.5 | -75.7 | 177.5 | -172.2 | 0 | 0 | 110.8 | R1411 M1414 R1415 S1604 V1769 | R1411-E1772 IonicContact CZ-OE2 3.99Å; R1411-E1772 IonicContact NE-OE2 3.53Å; R1411-E1772 IonicContact NH1-OE2 3.84Å; R1411-E1772 PolarHBondContact NH1-OE2 3.19Å; R1411-E1772 IonicContact NH2-OE2 3.04Å; R1411-E1772 PolarHBondContact NH2-OE2 2.89Å; M1414-E1772 WeakPolarHBondContact O-CA 3.16Å; R1415-E1772 HydrophobicContact CG-CG 3.88Å; R1415-E1772 IonicContact CZ-OE1 3.61Å; R1415-E1772 VanDerWaalsContact NE-CG 3.28Å; R1415-E1772 IonicContact NE-OE1 3.37Å; R1415-E1772 PolarHBondContact NE-OE1 3.25Å; R1415-E1772 IonicContact NH2-OE1 3Å; R1415-E1772 PolarHBondContact NH2-OE1 3.14Å; S1604-E1772 PolarHBondContact OG-OE1 3.21Å; V1769-E1772 HydrophobicContact CG1-CG 4.02Å; V1769-E1772 WeakPolarHBondContact CG1-OE1 3.47Å; V1769-E1772 PolarHBondContact O-N 2.82Å | ||
| 1773 | I | 67.3 | Low | 63.6 | Low | 107.8 Ų | 107.8 | 63.5 Ų | 63.5 | 55% | 0.553 | 37% | 0.374 | S | S | * | . | trans | -91 | -35.5 | -174.1 | -65.7 | 173.8 | 0 | 0 | 0 | 111.2 | M1414 V1416 N1771 | M1414-I1773 PolarHBondContact O-N 3.2Å; M1414-I1773 VanDerWaalsContact O-N 3.11Å; V1416-I1773 HydrophobicContact CB-CD1 3.69Å; V1416-I1773 HydrophobicContact CG2-CD1 3.56Å; V1416-I1773 VanDerWaalsContact CG2-CD1 3.49Å; V1416-I1773 HydrophobicContact CG2-CG1 4.32Å; N1771-I1773 PolarHBondContact O-N 3.2Å | ||
| 1774 | A | 76.2 | Confident | 66.2 | Low | 31.2 Ų | 31.2 | 58.5 Ų | 58.5 | 26% | 0.258 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 148.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | M1414 F1504 | M1414-A1774 HydrophobicContact CE-CB 4.36Å; M1414-A1774 PolarHBondContact N-O 2.82Å; F1504-A1774 HydrophobicContact CD1-CB 3.7Å; F1504-A1774 HydrophobicContact CE1-CB 4.07Å |
| 1775 | S | 83.6 | Confident | 68.8 | Low | 47 Ų | 47 | 54.9 Ų | 54.9 | 33% | 0.329 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 147 | 174.1 | 67.2 | 0 | 0 | 0 | 0 | 111.6 | R1411 L1412 | R1411-S1775 VanDerWaalsContact NE-CB 3.3Å; R1411-S1775 PolarHBondContact NE-OG 3.05Å; R1411-S1775 PolarHBondContact NH1-OG 2.86Å; R1411-S1775 VanDerWaalsContact NH2-CB 3.32Å; R1411-S1775 PolarHBondContact NH2-OG 2.78Å; L1412-S1775 CarbonylContact O-C 3.54Å; L1412-S1775 VanDerWaalsContact O-CA 3.24Å; L1412-S1775 WeakPolarHBondContact O-CA 3.3Å |
| 1776 | I | 86.5 | Confident | 71.3 | Confident | 27.4 Ų | 27.4 | 50.9 Ų | 50.9 | 14% | 0.141 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 141.2 | 178.1 | -134.5 | 168.5 | 0 | 0 | 0 | 109.6 | L1412 I1503 F1504 L1730 I1738 V1778 I1811 | L1412-I1776 HydrophobicContact CB-CG2 3.99Å; L1412-I1776 HydrophobicContact CD2-CG2 4.24Å; L1412-I1776 HydrophobicContact CG-CG2 4.44Å; L1412-I1776 PolarHBondContact N-O 3.14Å; L1412-I1776 PolarHBondContact O-N 3Å; I1503-I1776 HydrophobicContact CG2-CD1 3.78Å; F1504-I1776 HydrophobicContact CD1-CD1 4.21Å; F1504-I1776 HydrophobicContact CE1-CD1 3.85Å; F1504-I1776 HydrophobicContact CE1-CG1 3.96Å; F1504-I1776 HydrophobicContact CE1-CG2 4.24Å; F1504-I1776 HydrophobicContact CZ-CD1 4.14Å; F1504-I1776 HydrophobicContact CZ-CG1 4.39Å; F1504-I1776 HydrophobicContact CZ-CG2 3.91Å; L1730-I1776 HydrophobicContact CD1-CD1 4.2Å; L1730-I1776 HydrophobicContact CD2-CD1 4.34Å; I1738-I1776 HydrophobicContact CD1-CB 4.25Å; I1738-I1776 HydrophobicContact CD1-CD1 4.43Å; I1738-I1776 HydrophobicContact CD1-CG1 3.98Å; I1776-V1778 HydrophobicContact CG1-CG1 4.33Å; I1776-V1778 HydrophobicContact CG2-CG1 4.01Å; I1776-I1811 HydrophobicContact CD1-CD1 4.41Å; I1776-I1811 HydrophobicContact CD1-CG1 4.25Å; I1776-I1811 HydrophobicContact CD1-CG2 4.21Å |
| 1777 | Q | 88.6 | Confident | 73.8 | Confident | 58.6 Ų | 58.6 | 47.7 Ų | 47.7 | 27% | 0.274 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 127.5 | 173.1 | -74.5 | 175.8 | -38.7 | 0 | 0 | 110.1 | Y1410 E1608 Y1812 | Y1410-Q1777 CarbonylContact O-C 3.54Å; Y1410-Q1777 WeakPolarHBondContact O-CA 3.3Å; E1608-Q1777 PolarHBondContact OE1-NE2 3.08Å; E1608-Q1777 PolarHBondContact OE2-NE2 3.06Å; E1608-Q1777 VanDerWaalsContact OE2-NE2 3.11Å; Q1777-Y1812 HydrophobicContact CB-CD1 4.08Å; Q1777-Y1812 HydrophobicContact CB-CG 4.37Å; Q1777-Y1812 WeakPolarHBondContact O-CB 3.41Å; Q1777-Y1812 PolarHBondContact O-N 3.06Å; Q1777-Y1812 VanDerWaalsContact OE1-CD1 3.23Å |
| 1778 | V | 90.6 | Very high | 76.3 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 159.4 | -174.6 | -60.2 | 0 | 0 | 0 | 0 | 111 | Y1410 L1412 L1605 L1730 I1776 L1809 N1810 | Y1410-V1778 PolarHBondContact N-O 3.06Å; Y1410-V1778 PolarHBondContact O-N 3.13Å; Y1410-V1778 VanDerWaalsContact O-O 3.1Å; L1412-V1778 HydrophobicContact CB-CG1 4.47Å; L1412-V1778 HydrophobicContact CB-CG2 4.03Å; L1605-V1778 HydrophobicContact CD1-CG2 4.07Å; L1730-V1778 HydrophobicContact CD1-CB 4.23Å; L1730-V1778 HydrophobicContact CD1-CG1 3.95Å; L1730-V1778 HydrophobicContact CD2-CG1 4.09Å; L1730-V1778 HydrophobicContact CG-CG1 4.41Å; I1776-V1778 HydrophobicContact CG1-CG1 4.33Å; I1776-V1778 HydrophobicContact CG2-CG1 4.01Å; V1778-L1809 HydrophobicContact CG2-CD1 4.31Å; V1778-L1809 HydrophobicContact CG2-CD2 4.22Å; V1778-N1810 CarbonylContact C-O 3.49Å; V1778-N1810 WeakPolarHBondContact CA-O 3.37Å; V1778-N1810 WeakPolarHBondContact CB-O 3.37Å |
| 1779 | W | 90.8 | Very high | 78.4 | Confident | 1.2 Ų | 1.2 | 41.3 Ų | 41.3 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 146.3 | 178.6 | 60.6 | -72.4 | 0 | 0 | 0 | 111.2 | L1409 W1723 S1724 T1727 N1810 I1811 P1818 | L1409-W1779 HydrophobicContact CD2-CB 4.29Å; W1723-W1779 AromaticContact CD1-CZ3 3.95Å; W1723-W1779 HydrophobicContact CD2-CZ3 4.37Å; W1723-W1779 AromaticContact CE2-CE3 3.81Å; W1723-W1779 AromaticContact CE2-CZ3 3.8Å; W1723-W1779 HydrophobicContact CH2-CE3 4.37Å; W1723-W1779 AromaticContact CZ2-CE3 3.73Å; W1723-W1779 HydrophobicContact CZ2-CE3 3.73Å; W1723-W1779 HydrophobicContact CZ2-CZ3 4.21Å; W1723-W1779 AromaticContact NE1-CE3 3.8Å; W1723-W1779 AromaticContact NE1-CZ3 3.52Å; S1724-W1779 WeakPolarHBondContact O-CH2 3.3Å; S1724-W1779 WeakPolarHBondContact O-CZ3 3.14Å; T1727-W1779 HydrophobicContact CG2-CH2 3.51Å; T1727-W1779 VanDerWaalsContact CG2-CH2 3.45Å; T1727-W1779 HydrophobicContact CG2-CZ2 3.79Å; T1727-W1779 HydrophobicContact CG2-CZ3 4.29Å; W1779-N1810 HydrophobicContact CD2-CB 4.24Å; W1779-N1810 HydrophobicContact CG-CB 4.35Å; W1779-N1810 HydrophobicContact CZ2-CB 4.21Å; W1779-N1810 PolarHBondContact N-O 2.96Å; W1779-N1810 WeakPolarHBondContact O-CB 3.35Å; W1779-N1810 PolarHBondContact O-N 3.19Å; W1779-N1810 PolarHBondContact O-ND2 3.37Å; W1779-I1811 PolarHBondContact NE1-O 3.12Å; W1779-I1811 VanDerWaalsContact NE1-O 3.14Å; W1779-P1818 HydrophobicContact CB-CB 4.3Å; W1779-P1818 HydrophobicContact CD2-CB 3.58Å; W1779-P1818 HydrophobicContact CE3-CB 3.48Å; W1779-P1818 VanDerWaalsContact CE3-CB 3.43Å; W1779-P1818 HydrophobicContact CG-CB 3.94Å; W1779-P1818 HydrophobicContact CH2-CB 4.48Å; W1779-P1818 HydrophobicContact CZ3-CB 3.97Å; W1779-P1818 WeakPolarHBondContact CZ3-O 3.28Å |
| 1780 | P | 90.7 | Very high | 80.4 | Confident | 2.2 Ų | 2.2 | 39.9 Ų | 39.9 | 1% | 0.014 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 152.9 | -175.8 | 11.6 | -8.9 | 0 | 0 | 0 | 112.8 | Y1410 W1723 Q1782 K1785 V1786 Q1808 L1809 | Y1410-P1780 HydrophobicContact CD2-CG 4.21Å; Y1410-P1780 HydrophobicContact CE2-CG 3.94Å; W1723-P1780 HydrophobicContact CZ2-CG 4.18Å; W1723-P1780 VanDerWaalsContact CZ2-O 3.28Å; W1723-P1780 WeakPolarHBondContact CZ2-O 3.35Å; W1723-P1780 PolarHBondContact NE1-O 3.4Å; W1723-P1780 VanDerWaalsContact NE1-O 3.13Å; P1780-Q1782 VanDerWaalsContact C-N 3.25Å; P1780-Q1782 VanDerWaalsContact CB-O 3.32Å; P1780-Q1782 WeakPolarHBondContact CB-O 3.27Å; P1780-Q1782 VanDerWaalsContact CG-O 3.31Å; P1780-Q1782 WeakPolarHBondContact CG-O 3.33Å; P1780-Q1782 PolarHBondContact O-N 3.08Å; P1780-Q1782 VanDerWaalsContact O-N 3.12Å; P1780-K1785 HydrophobicContact CB-CB 4.43Å; P1780-V1786 HydrophobicContact CB-CB 4.19Å; P1780-V1786 HydrophobicContact CB-CG2 4.41Å; P1780-V1786 HydrophobicContact CG-CB 4.09Å; P1780-V1786 VanDerWaalsContact CG-O 3.26Å; P1780-V1786 WeakPolarHBondContact CG-O 3.14Å; P1780-Q1808 CarbonylContact C-O 3.59Å; P1780-Q1808 VanDerWaalsContact CA-O 3.3Å; P1780-Q1808 WeakPolarHBondContact CA-O 3.31Å; P1780-L1809 HydrophobicContact CB-CD2 4.4Å; P1780-L1809 HydrophobicContact CG-CD2 4.3Å |
| 1781 | S | 87 | Confident | 82.3 | Confident | 38.8 Ų | 38.8 | 34.6 Ų | 34.6 | 27% | 0.271 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -60.1 | -23.4 | 176.1 | 53.7 | 0 | 0 | 0 | 0 | 114.4 | W1723 K1785 Q1808 N1810 | W1723-S1781 VanDerWaalsContact CD1-O 3.25Å; W1723-S1781 PolarHBondContact NE1-O 2.9Å; W1723-S1781 VanDerWaalsContact NE1-O 3.1Å; S1781-K1785 WeakPolarHBondContact OG-CD 3.31Å; S1781-Q1808 WeakPolarHBondContact CB-O 3.33Å; S1781-Q1808 PolarHBondContact N-O 3.15Å; S1781-Q1808 PolarHBondContact OG-O 3.11Å; S1781-Q1808 VanDerWaalsContact OG-O 3.14Å; S1781-N1810 WeakPolarHBondContact CA-ND2 3.3Å; S1781-N1810 PolarHBondContact N-ND2 3.46Å |
| 1782 | Q | 86.7 | Confident | 83.4 | Confident | 88.6 Ų | 88.6 | 32.6 Ų | 32.6 | 41% | 0.414 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -141.2 | 151.3 | 170.4 | -64.9 | 174.1 | -59.4 | 0 | 0 | 109.1 | P1780 L1784 K1785 | P1780-Q1782 VanDerWaalsContact C-N 3.25Å; P1780-Q1782 VanDerWaalsContact CB-O 3.32Å; P1780-Q1782 WeakPolarHBondContact CB-O 3.27Å; P1780-Q1782 VanDerWaalsContact CG-O 3.31Å; P1780-Q1782 WeakPolarHBondContact CG-O 3.33Å; P1780-Q1782 PolarHBondContact O-N 3.08Å; P1780-Q1782 VanDerWaalsContact O-N 3.12Å; Q1782-L1784 PolarHBondContact O-N 3.04Å; Q1782-K1785 HydrophobicContact CB-CB 4.07Å; Q1782-K1785 HydrophobicContact CB-CD 4.1Å; Q1782-K1785 HydrophobicContact CB-CG 4.46Å; Q1782-K1785 HydrophobicContact CG-CD 4.31Å; Q1782-K1785 WeakPolarHBondContact O-CB 3.35Å; Q1782-K1785 PolarHBondContact O-N 3.06Å; Q1782-K1785 VanDerWaalsContact O-N 3.12Å; Q1782-K1785 VanDerWaalsContact OE1-CD 3.31Å; Q1782-K1785 VanDerWaalsContact OE1-CE 3.28Å |
| 1783 | P | 86.3 | Confident | 84.2 | Confident | 7.6 Ų | 7.6 | 39 Ų | 39 | 5% | 0.049 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 130.6 | -177.6 | -13.9 | 19.5 | 0 | 0 | 0 | 112.3 | H1349 V1406 H1618 V1710 W1723 K1785 | H1349-P1783 PolarHBondContact CE1-O 3.1Å; H1349-P1783 PolarHBondContact NE2-O 3.31Å; V1406-P1783 HydrophobicContact CG1-CB 3.88Å; V1406-P1783 HydrophobicContact CG2-CB 3.98Å; H1618-P1783 HydrophobicContact CB-CB 3.81Å; H1618-P1783 HydrophobicContact CB-CG 4.24Å; H1618-P1783 WeakPolarHBondContact CD2-CG 3.15Å; H1618-P1783 WeakPolarHBondContact ND1-CB 3Å; H1618-P1783 PolarHBondContact ND1-O 3.18Å; H1618-P1783 WeakPolarHBondContact NE2-CG 3.05Å; V1710-P1783 HydrophobicContact CG2-CG 4.12Å; W1723-P1783 HydrophobicContact CB-CG 4.41Å; W1723-P1783 HydrophobicContact CD2-CB 4.29Å; W1723-P1783 HydrophobicContact CD2-CG 3.79Å; W1723-P1783 HydrophobicContact CE3-CB 4.21Å; W1723-P1783 HydrophobicContact CE3-CG 3.85Å; W1723-P1783 HydrophobicContact CG-CG 4.03Å; W1723-P1783 HydrophobicContact CH2-CB 4.3Å; W1723-P1783 HydrophobicContact CH2-CG 4.06Å; W1723-P1783 HydrophobicContact CZ2-CB 4.47Å; W1723-P1783 HydrophobicContact CZ2-CG 4.25Å; W1723-P1783 HydrophobicContact CZ3-CB 4.29Å; W1723-P1783 HydrophobicContact CZ3-CG 4.16Å; P1783-K1785 PolarHBondContact O-N 2.87Å; P1783-K1785 VanDerWaalsContact O-N 3.11Å |
| 1784 | L | 87 | Confident | 84.6 | Confident | 17.2 Ų | 17.2 | 34.8 Ų | 34.8 | 9% | 0.09 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 8.7 | -178.7 | -63.6 | 172.2 | 0 | 0 | 0 | 116.5 | H1349 S1352 N1353 V1406 Q1782 V1786 | H1349-L1784 HydrophobicContact CB-CD1 3.88Å; S1352-L1784 PolarHBondContact OG-O 3.26Å; N1353-L1784 HydrophobicContact CB-CD1 4.35Å; V1406-L1784 HydrophobicContact CG1-CG 4.43Å; V1406-L1784 HydrophobicContact CG2-CD1 4.16Å; V1406-L1784 HydrophobicContact CG2-CG 4.18Å; Q1782-L1784 PolarHBondContact O-N 3.04Å; L1784-V1786 VanDerWaalsContact C-N 3.28Å; L1784-V1786 PolarHBondContact O-N 2.82Å |
| 1785 | K | 86.1 | Confident | 84.3 | Confident | 88.6 Ų | 88.6 | 36.1 Ų | 36.1 | 39% | 0.385 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -63 | -37.2 | 177.5 | -165.8 | -177.3 | -174.9 | 177.4 | 0 | 112.8 | P1780 S1781 Q1782 P1783 Q1808 | P1780-K1785 HydrophobicContact CB-CB 4.43Å; S1781-K1785 WeakPolarHBondContact OG-CD 3.31Å; Q1782-K1785 HydrophobicContact CB-CB 4.07Å; Q1782-K1785 HydrophobicContact CB-CD 4.1Å; Q1782-K1785 HydrophobicContact CB-CG 4.46Å; Q1782-K1785 HydrophobicContact CG-CD 4.31Å; Q1782-K1785 WeakPolarHBondContact O-CB 3.35Å; Q1782-K1785 PolarHBondContact O-N 3.06Å; Q1782-K1785 VanDerWaalsContact O-N 3.12Å; Q1782-K1785 VanDerWaalsContact OE1-CD 3.31Å; Q1782-K1785 VanDerWaalsContact OE1-CE 3.28Å; P1783-K1785 PolarHBondContact O-N 2.87Å; P1783-K1785 VanDerWaalsContact O-N 3.11Å; K1785-Q1808 HydrophobicContact CD-CB 4.37Å; K1785-Q1808 HydrophobicContact CD-CG 4.26Å; K1785-Q1808 VanDerWaalsContact CE-CD 3.42Å; K1785-Q1808 VanDerWaalsContact CE-OE1 3.26Å |
| 1786 | V | 86.1 | Confident | 83.2 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -113.2 | 123.8 | 162.2 | -174.5 | 0 | 0 | 0 | 0 | 106.5 | Y1410 L1605 P1780 L1784 W1791 L1805 Q1808 L1809 | Y1410-V1786 PolarHBondContact OH-O 3.26Å; L1605-V1786 HydrophobicContact CD2-CG1 4.13Å; P1780-V1786 HydrophobicContact CB-CB 4.19Å; P1780-V1786 HydrophobicContact CB-CG2 4.41Å; P1780-V1786 HydrophobicContact CG-CB 4.09Å; P1780-V1786 VanDerWaalsContact CG-O 3.26Å; P1780-V1786 WeakPolarHBondContact CG-O 3.14Å; L1784-V1786 VanDerWaalsContact C-N 3.28Å; L1784-V1786 PolarHBondContact O-N 2.82Å; V1786-W1791 HydrophobicContact CG1-CE3 4.45Å; V1786-L1805 HydrophobicContact CG1-CB 4.32Å; V1786-L1805 HydrophobicContact CG1-CD1 4.46Å; V1786-L1805 HydrophobicContact CG2-CB 4.36Å; V1786-L1805 HydrophobicContact CG2-CD2 4.39Å; V1786-L1805 WeakPolarHBondContact CG2-O 3.49Å; V1786-Q1808 HydrophobicContact CG2-CB 3.71Å; V1786-L1809 HydrophobicContact CB-CD2 4.02Å; V1786-L1809 HydrophobicContact CB-CG 4.43Å; V1786-L1809 HydrophobicContact CG1-CD1 4.42Å; V1786-L1809 HydrophobicContact CG1-CD2 4.11Å; V1786-L1809 HydrophobicContact CG1-CG 4.33Å; V1786-L1809 HydrophobicContact CG2-CD2 4.25Å; V1786-L1809 HydrophobicContact CG2-CG 4.32Å |
| 1787 | S | 86.4 | Confident | 82.3 | Confident | 4 Ų | 4 | 33.3 Ų | 33.3 | 3% | 0.028 | 18% | 0.176 | C | C | . | . | trans | -127.2 | 165.2 | 179.1 | 70.1 | 0 | 0 | 0 | 0 | 110.1 | S1352 D1354 Y1410 S1789 A1790 W1791 | S1352-S1787 WeakPolarHBondContact OG-CB 3.21Å; S1352-S1787 PolarHBondContact OG-OG 3.14Å; D1354-S1787 WeakPolarHBondContact OD1-CB 3.42Å; Y1410-S1787 WeakPolarHBondContact OH-CA 3.17Å; S1787-S1789 VanDerWaalsContact C-N 3.26Å; S1787-S1789 PolarHBondContact O-N 2.99Å; S1787-S1789 PolarHBondContact OG-N 2.85Å; S1787-S1789 PolarHBondContact OG-OG 3.11Å; S1787-A1790 WeakPolarHBondContact O-CB 3.25Å; S1787-A1790 PolarHBondContact O-N 3.11Å; S1787-A1790 VanDerWaalsContact O-N 3.13Å; S1787-A1790 PolarHBondContact OG-N 3.26Å; S1787-A1790 VanDerWaalsContact OG-N 3.1Å; S1787-W1791 PolarHBondContact O-N 3.06Å; S1787-W1791 VanDerWaalsContact O-N 3.11Å | ||
| 1788 | T | 85.5 | Confident | 81.4 | Confident | 14.8 Ų | 14.8 | 32.8 Ų | 32.8 | 9% | 0.091 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.4 | -33.2 | 172.4 | 62.9 | 0 | 0 | 0 | 0 | 111.9 | D1354 L1357 Y1410 L1605 P1607 A1790 W1791 T1792 | D1354-T1788 WeakPolarHBondContact OD1-CA 3.29Å; D1354-T1788 VanDerWaalsContact OD1-CB 3.3Å; D1354-T1788 WeakPolarHBondContact OD1-CB 3.22Å; D1354-T1788 PolarHBondContact OD1-N 2.68Å; D1354-T1788 PolarHBondContact OD1-OG1 2.99Å; D1354-T1788 PolarHBondContact OD2-N 3Å; L1357-T1788 HydrophobicContact CD1-CG2 3.54Å; L1357-T1788 VanDerWaalsContact CD1-OG1 3.27Å; L1357-T1788 WeakPolarHBondContact CD1-OG1 3.33Å; Y1410-T1788 HydrophobicContact CD1-CG2 4.34Å; Y1410-T1788 HydrophobicContact CE1-CG2 4.05Å; L1605-T1788 VanDerWaalsContact O-CG2 3.27Å; L1605-T1788 WeakPolarHBondContact O-CG2 3.28Å; P1607-T1788 HydrophobicContact CG-CG2 4.29Å; T1788-A1790 VanDerWaalsContact C-N 3.29Å; T1788-A1790 PolarHBondContact O-N 3.17Å; T1788-W1791 CarbonylContact O-C 3.58Å; T1788-W1791 WeakPolarHBondContact O-CA 3.18Å; T1788-W1791 VanDerWaalsContact O-CB 3.28Å; T1788-W1791 WeakPolarHBondContact O-CB 3.4Å; T1788-W1791 PolarHBondContact O-N 3.03Å; T1788-W1791 VanDerWaalsContact O-N 3.12Å; T1788-T1792 WeakPolarHBondContact O-CB 3.23Å; T1788-T1792 PolarHBondContact O-N 3.14Å; T1788-T1792 PolarHBondContact O-OG1 3.29Å |
| 1789 | S | 80.9 | Confident | 80.8 | Confident | 33.4 Ų | 33.4 | 33.4 Ų | 33.4 | 23% | 0.234 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65 | -30 | 175.1 | 68.2 | 0 | 0 | 0 | 0 | 113.1 | S1352 N1353 D1354 S1787 T1792 R1793 | S1352-S1789 VanDerWaalsContact CA-OG 3.32Å; S1352-S1789 WeakPolarHBondContact CA-OG 3.3Å; N1353-S1789 PolarHBondContact N-OG 3.06Å; N1353-S1789 PolarHBondContact O-OG 3.44Å; D1354-S1789 PolarHBondContact OD1-N 3.44Å; S1787-S1789 VanDerWaalsContact C-N 3.26Å; S1787-S1789 PolarHBondContact O-N 2.99Å; S1787-S1789 PolarHBondContact OG-N 2.85Å; S1787-S1789 PolarHBondContact OG-OG 3.11Å; S1789-T1792 WeakPolarHBondContact CA-OG1 3.24Å; S1789-T1792 WeakPolarHBondContact O-CB 3.49Å; S1789-T1792 PolarHBondContact O-N 2.81Å; S1789-T1792 PolarHBondContact O-OG1 3.16Å; S1789-R1793 WeakPolarHBondContact O-CG 3.24Å; S1789-R1793 PolarHBondContact O-N 3.19Å; S1789-R1793 PolarHBondContact O-NE 3.36Å |
| 1790 | A | 82.4 | Confident | 80.1 | Confident | 17.8 Ų | 17.8 | 36.5 Ų | 36.5 | 15% | 0.147 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -73.4 | -39.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | S1787 T1788 T1792 R1793 L1805 | S1787-A1790 WeakPolarHBondContact O-CB 3.25Å; S1787-A1790 PolarHBondContact O-N 3.11Å; S1787-A1790 VanDerWaalsContact O-N 3.13Å; S1787-A1790 PolarHBondContact OG-N 3.26Å; S1787-A1790 VanDerWaalsContact OG-N 3.1Å; T1788-A1790 VanDerWaalsContact C-N 3.29Å; T1788-A1790 PolarHBondContact O-N 3.17Å; A1790-T1792 VanDerWaalsContact C-N 3.28Å; A1790-T1792 PolarHBondContact O-N 3.06Å; A1790-R1793 WeakPolarHBondContact O-CB 3.17Å; A1790-R1793 PolarHBondContact O-N 3.21Å; A1790-L1805 HydrophobicContact CB-CD1 4.32Å |
| 1791 | W | 84.4 | Confident | 79.2 | Confident | 0.2 Ų | 0.2 | 38.7 Ų | 38.7 | 0% | 0.001 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.6 | -38.6 | 174.5 | -151.7 | -99.2 | 0 | 0 | 0 | 112.1 | L1412 A1490 V1492 L1500 F1603 L1605 V1786 S1787 T1788 R1793 L1794 S1795 L1805 I1806 L1809 | L1412-W1791 HydrophobicContact CD1-CH2 4.1Å; L1412-W1791 HydrophobicContact CD1-CZ2 3.79Å; A1490-W1791 HydrophobicContact CB-CB 4.26Å; A1490-W1791 VanDerWaalsContact O-CD1 3.27Å; V1492-W1791 HydrophobicContact CB-CZ2 4.27Å; V1492-W1791 HydrophobicContact CG2-CD2 4.18Å; V1492-W1791 HydrophobicContact CG2-CG 4.39Å; V1492-W1791 HydrophobicContact CG2-CZ2 4.01Å; L1500-W1791 HydrophobicContact CD1-CH2 4.47Å; L1500-W1791 HydrophobicContact CD2-CH2 4.4Å; L1500-W1791 HydrophobicContact CD2-CZ2 4.34Å; F1603-W1791 HydrophobicContact CB-CZ2 4.36Å; F1603-W1791 PolarHBondContact O-NE1 2.98Å; F1603-W1791 VanDerWaalsContact O-NE1 3.1Å; L1605-W1791 HydrophobicContact CB-CB 4.34Å; L1605-W1791 HydrophobicContact CB-CD2 3.78Å; L1605-W1791 HydrophobicContact CB-CE3 4.37Å; L1605-W1791 HydrophobicContact CB-CG 3.75Å; L1605-W1791 HydrophobicContact CB-CZ2 4.45Å; L1605-W1791 HydrophobicContact CD2-CB 4.31Å; L1605-W1791 HydrophobicContact CD2-CD2 4.06Å; L1605-W1791 HydrophobicContact CD2-CE3 3.89Å; L1605-W1791 HydrophobicContact CD2-CG 4.27Å; L1605-W1791 HydrophobicContact CD2-CZ3 4.36Å; L1605-W1791 HydrophobicContact CG-CD2 4.35Å; L1605-W1791 HydrophobicContact CG-CE3 4.48Å; V1786-W1791 HydrophobicContact CG1-CE3 4.45Å; S1787-W1791 PolarHBondContact O-N 3.06Å; S1787-W1791 VanDerWaalsContact O-N 3.11Å; T1788-W1791 CarbonylContact O-C 3.58Å; T1788-W1791 WeakPolarHBondContact O-CA 3.18Å; T1788-W1791 VanDerWaalsContact O-CB 3.28Å; T1788-W1791 WeakPolarHBondContact O-CB 3.4Å; T1788-W1791 PolarHBondContact O-N 3.03Å; T1788-W1791 VanDerWaalsContact O-N 3.12Å; W1791-R1793 VanDerWaalsContact C-N 3.29Å; W1791-R1793 PolarHBondContact O-N 3.11Å; W1791-L1794 WeakPolarHBondContact O-CA 3.32Å; W1791-L1794 WeakPolarHBondContact O-CB 3.26Å; W1791-L1794 PolarHBondContact O-N 3.18Å; W1791-L1794 VanDerWaalsContact O-N 3.15Å; W1791-S1795 PolarHBondContact O-N 3.11Å; W1791-L1805 HydrophobicContact CE3-CB 4.4Å; W1791-L1805 HydrophobicContact CE3-CD1 4.05Å; W1791-L1805 HydrophobicContact CZ3-CB 4.24Å; W1791-L1805 HydrophobicContact CZ3-CD1 4.34Å; W1791-I1806 HydrophobicContact CH2-CG1 4.31Å; W1791-L1809 HydrophobicContact CH2-CD1 4.45Å; W1791-L1809 HydrophobicContact CZ3-CD1 4.31Å |
| 1792 | T | 78.3 | Confident | 78.7 | Confident | 61.6 Ų | 61.6 | 37.2 Ų | 37.2 | 38% | 0.378 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.2 | -34.6 | 176 | -33 | 0 | 0 | 0 | 0 | 112.1 | A1490 T1788 S1789 A1790 L1794 S1795 | A1490-T1792 VanDerWaalsContact CB-CB 3.5Å; A1490-T1792 HydrophobicContact CB-CG2 4.08Å; A1490-T1792 WeakPolarHBondContact CB-OG1 3.28Å; T1788-T1792 WeakPolarHBondContact O-CB 3.23Å; T1788-T1792 PolarHBondContact O-N 3.14Å; T1788-T1792 PolarHBondContact O-OG1 3.29Å; S1789-T1792 WeakPolarHBondContact CA-OG1 3.24Å; S1789-T1792 WeakPolarHBondContact O-CB 3.49Å; S1789-T1792 PolarHBondContact O-N 2.81Å; S1789-T1792 PolarHBondContact O-OG1 3.16Å; A1790-T1792 VanDerWaalsContact C-N 3.28Å; A1790-T1792 PolarHBondContact O-N 3.06Å; T1792-L1794 PolarHBondContact O-N 3.14Å; T1792-L1794 VanDerWaalsContact O-N 3.14Å; T1792-S1795 VanDerWaalsContact O-CB 3.28Å; T1792-S1795 WeakPolarHBondContact O-CB 3.36Å; T1792-S1795 PolarHBondContact O-N 3.13Å; T1792-S1795 VanDerWaalsContact O-N 3.08Å; T1792-S1795 PolarHBondContact O-OG 3.16Å |
| 1793 | R | 76.4 | Confident | 78.3 | Confident | 170.4 Ų | 170.4 | 36.3 Ų | 36.3 | 64% | 0.643 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -9 | 176 | -66.6 | 177.4 | -157.2 | -176.3 | 4.6 | 113.6 | S1351 R1434 S1789 A1790 W1791 | S1351-R1793 PolarHBondContact O-NH2 2.99Å; R1434-R1793 PolarHBondContact NH1-O 2.87Å; S1789-R1793 WeakPolarHBondContact O-CG 3.24Å; S1789-R1793 PolarHBondContact O-N 3.19Å; S1789-R1793 PolarHBondContact O-NE 3.36Å; A1790-R1793 WeakPolarHBondContact O-CB 3.17Å; A1790-R1793 PolarHBondContact O-N 3.21Å; W1791-R1793 VanDerWaalsContact C-N 3.29Å; W1791-R1793 PolarHBondContact O-N 3.11Å |
| 1794 | L | 75.4 | Confident | 78 | Confident | 20.6 Ų | 20.6 | 39.3 Ų | 39.3 | 11% | 0.108 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 2 | 172.2 | -57.9 | -179.2 | 0 | 0 | 0 | 112.6 | R1434 V1492 W1791 T1792 G1796 A1797 L1805 | R1434-L1794 VanDerWaalsContact NH2-CD2 3.26Å; V1492-L1794 HydrophobicContact CG2-CB 3.75Å; V1492-L1794 HydrophobicContact CG2-CD1 4.32Å; W1791-L1794 WeakPolarHBondContact O-CA 3.32Å; W1791-L1794 WeakPolarHBondContact O-CB 3.26Å; W1791-L1794 PolarHBondContact O-N 3.18Å; W1791-L1794 VanDerWaalsContact O-N 3.15Å; T1792-L1794 PolarHBondContact O-N 3.14Å; T1792-L1794 VanDerWaalsContact O-N 3.14Å; L1794-G1796 PolarHBondContact O-N 2.86Å; L1794-A1797 WeakPolarHBondContact O-CB 3.34Å; L1794-A1797 PolarHBondContact O-N 3.18Å; L1794-A1797 VanDerWaalsContact O-N 3.12Å; L1794-L1805 HydrophobicContact CD1-CD1 3.49Å; L1794-L1805 VanDerWaalsContact CD1-CD1 3.44Å; L1794-L1805 HydrophobicContact CD1-CG 4.22Å; L1794-L1805 HydrophobicContact CG-CD1 4.28Å |
| 1795 | S | 69.6 | Low | 77.8 | Confident | 58.8 Ų | 58.8 | 39.7 Ų | 39.7 | 41% | 0.411 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 130.7 | 178 | 77.8 | 0 | 0 | 0 | 0 | 110.9 | V1491 W1791 T1792 A1797 | V1491-S1795 VanDerWaalsContact O-CA 3.26Å; V1491-S1795 WeakPolarHBondContact O-CA 3.4Å; V1491-S1795 WeakPolarHBondContact O-CB 3.37Å; V1491-S1795 PolarHBondContact O-OG 3.08Å; W1791-S1795 PolarHBondContact O-N 3.11Å; T1792-S1795 VanDerWaalsContact O-CB 3.28Å; T1792-S1795 WeakPolarHBondContact O-CB 3.36Å; T1792-S1795 PolarHBondContact O-N 3.13Å; T1792-S1795 VanDerWaalsContact O-N 3.08Å; T1792-S1795 PolarHBondContact O-OG 3.16Å; S1795-A1797 VanDerWaalsContact C-N 3.27Å; S1795-A1797 PolarHBondContact O-N 3.11Å |
| 1796 | G | 61.9 | Low | 77.6 | Confident | 8.8 Ų | 8.8 | 36.1 Ų | 36.1 | 9% | 0.091 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | -7.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | P1435 V1436 L1437 L1794 | P1435-G1796 VanDerWaalsContact O-O 3.12Å; V1436-G1796 CarbonylContact C-O 3.57Å; V1436-G1796 VanDerWaalsContact CA-O 3.3Å; V1436-G1796 WeakPolarHBondContact CA-O 3.39Å; L1437-G1796 WeakPolarHBondContact CD1-O 3.49Å; L1437-G1796 PolarHBondContact N-O 3.31Å; L1794-G1796 PolarHBondContact O-N 2.86Å |
| 1797 | A | 67.7 | Low | 77.4 | Confident | 6.6 Ų | 6.6 | 41.6 Ų | 41.6 | 6% | 0.055 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -79.9 | 154.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R1434 L1794 S1795 C1799 T1801 | R1434-A1797 VanDerWaalsContact NH2-CB 3.31Å; L1794-A1797 WeakPolarHBondContact O-CB 3.34Å; L1794-A1797 PolarHBondContact O-N 3.18Å; L1794-A1797 VanDerWaalsContact O-N 3.12Å; S1795-A1797 VanDerWaalsContact C-N 3.27Å; S1795-A1797 PolarHBondContact O-N 3.11Å; A1797-C1799 PolarHBondContact O-N 3.43Å; A1797-T1801 HydrophobicContact CB-CG2 4.36Å; A1797-T1801 VanDerWaalsContact CB-OG1 3.25Å; A1797-T1801 WeakPolarHBondContact CB-OG1 3.42Å |
| 1798 | P | 69.3 | Low | 77.3 | Confident | 48.4 Ų | 48.4 | 43.7 Ų | 43.7 | 31% | 0.314 | 25% | 0.247 | S | C | . | . | B | Isolated β-bridge | trans | -62.1 | 141.6 | 176.7 | 13.6 | -20.3 | 0 | 0 | 0 | 112.1 | R1434 P1435 A1800 T1801 | R1434-P1798 VanDerWaalsContact NH2-CG 3.34Å; P1435-P1798 HydrophobicContact CG-CG 4.17Å; P1798-A1800 VanDerWaalsContact C-N 3.26Å; P1798-A1800 PolarHBondContact O-N 3.1Å; P1798-A1800 VanDerWaalsContact O-N 3.09Å; P1798-T1801 HydrophobicContact CG-CG2 4.24Å; P1798-T1801 WeakPolarHBondContact O-CB 3.46Å; P1798-T1801 PolarHBondContact O-N 3.21Å; P1798-T1801 PolarHBondContact O-OG1 3.14Å |
| 1799 | C | 78 | Confident | 77.3 | Confident | 12 Ų | 12 | 43.1 Ų | 43.1 | 8% | 0.081 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -44.5 | -40.8 | -176.2 | -147.8 | 0 | 0 | 0 | 0 | 114.8 | A1493 C1494 A1797 T1801 S1802 | A1493-C1799 PolarHBondContact O-N 2.93Å; C1494-C1799 HydrophobicContact CB-CB 3.58Å; C1494-C1799 WeakPolarHBondContact CB-SG 3.43Å; C1494-C1799 WeakPolarHBondContact SG-CB 3.26Å; C1494-C1799 CovalentContact SG-SG 2.03Å; C1494-C1799 PolarHBondContact SG-SG 3.2Å; A1797-C1799 PolarHBondContact O-N 3.43Å; C1799-T1801 PolarHBondContact O-N 3.16Å; C1799-T1801 VanDerWaalsContact O-N 3.13Å; C1799-S1802 WeakPolarHBondContact O-CB 3.38Å; C1799-S1802 PolarHBondContact O-N 3.35Å; C1799-S1802 PolarHBondContact O-OG 2.99Å |
| 1800 | A | 75.1 | Confident | 77.5 | Confident | 65.2 Ų | 65.2 | 41.8 Ų | 41.8 | 54% | 0.539 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -56.5 | -27.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | P1798 S1802 E1803 | P1798-A1800 VanDerWaalsContact C-N 3.26Å; P1798-A1800 PolarHBondContact O-N 3.1Å; P1798-A1800 VanDerWaalsContact O-N 3.09Å; A1800-S1802 PolarHBondContact O-N 3.42Å; A1800-E1803 WeakPolarHBondContact O-CB 3.23Å; A1800-E1803 VanDerWaalsContact O-CG 3.23Å; A1800-E1803 WeakPolarHBondContact O-CG 3.35Å; A1800-E1803 PolarHBondContact O-N 3.09Å |
| 1801 | T | 72.5 | Confident | 77.6 | Confident | 50.2 Ų | 50.2 | 42.7 Ų | 42.7 | 31% | 0.308 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -74.4 | -9.9 | 177.6 | 59.8 | 0 | 0 | 0 | 0 | 114.3 | R1434 A1797 P1798 C1799 E1803 P1804 | R1434-T1801 VanDerWaalsContact NH2-CB 3.29Å; R1434-T1801 PolarHBondContact NH2-OG1 2.99Å; A1797-T1801 HydrophobicContact CB-CG2 4.36Å; A1797-T1801 VanDerWaalsContact CB-OG1 3.25Å; A1797-T1801 WeakPolarHBondContact CB-OG1 3.42Å; P1798-T1801 HydrophobicContact CG-CG2 4.24Å; P1798-T1801 WeakPolarHBondContact O-CB 3.46Å; P1798-T1801 PolarHBondContact O-N 3.21Å; P1798-T1801 PolarHBondContact O-OG1 3.14Å; C1799-T1801 PolarHBondContact O-N 3.16Å; C1799-T1801 VanDerWaalsContact O-N 3.13Å; T1801-E1803 VanDerWaalsContact C-N 3.34Å; T1801-P1804 WeakPolarHBondContact O-CD 3.47Å |
| 1802 | S | 76.2 | Confident | 77.5 | Confident | 6.2 Ų | 6.2 | 45 Ų | 45 | 4% | 0.043 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -89.6 | -15.8 | 175.8 | 69.1 | 0 | 0 | 0 | 0 | 114.1 | C1799 A1800 P1804 L1805 I1806 | C1799-S1802 WeakPolarHBondContact O-CB 3.38Å; C1799-S1802 PolarHBondContact O-N 3.35Å; C1799-S1802 PolarHBondContact O-OG 2.99Å; A1800-S1802 PolarHBondContact O-N 3.42Å; S1802-P1804 VanDerWaalsContact C-CD 3.49Å; S1802-L1805 WeakPolarHBondContact O-CB 3.32Å; S1802-L1805 PolarHBondContact O-N 3.15Å; S1802-I1806 WeakPolarHBondContact O-CG1 3.33Å; S1802-I1806 PolarHBondContact O-N 3.26Å; S1802-I1806 VanDerWaalsContact O-N 3.16Å; S1802-I1806 WeakPolarHBondContact OG-CD1 3.4Å |
| 1803 | E | 78.4 | Confident | 77.5 | Confident | 70.2 Ų | 70.2 | 43.7 Ų | 43.7 | 33% | 0.328 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -51 | -45.8 | -179.4 | -80.3 | -174.8 | 166.4 | 0 | 0 | 114.5 | R1499 A1800 T1801 L1805 I1806 E1807 | R1499-E1803 HydrophobicContact CB-CG 4.49Å; R1499-E1803 WeakPolarHBondContact CB-OE1 3.48Å; R1499-E1803 VanDerWaalsContact CD-OE1 3.29Å; R1499-E1803 WeakPolarHBondContact CD-OE1 3.38Å; R1499-E1803 WeakPolarHBondContact CG-OE1 3.03Å; R1499-E1803 IonicContact NE-OE1 2.9Å; R1499-E1803 IonicContact NE-OE2 2.9Å; A1800-E1803 WeakPolarHBondContact O-CB 3.23Å; A1800-E1803 VanDerWaalsContact O-CG 3.23Å; A1800-E1803 WeakPolarHBondContact O-CG 3.35Å; A1800-E1803 PolarHBondContact O-N 3.09Å; T1801-E1803 VanDerWaalsContact C-N 3.34Å; E1803-L1805 PolarHBondContact O-N 3.39Å; E1803-I1806 WeakPolarHBondContact O-CB 3.3Å; E1803-I1806 PolarHBondContact O-N 2.99Å; E1803-I1806 VanDerWaalsContact O-N 3.1Å; E1803-E1807 WeakPolarHBondContact O-CG 3.47Å; E1803-E1807 PolarHBondContact O-N 3Å; E1803-E1807 VanDerWaalsContact O-N 3.12Å |
| 1804 | P | 81.1 | Confident | 77.3 | Confident | 70.2 Ų | 70.2 | 40.5 Ų | 40.5 | 46% | 0.456 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67 | -20.4 | 178.9 | 17.2 | -23.6 | 0 | 0 | 0 | 114.1 | T1801 S1802 Q1808 | T1801-P1804 WeakPolarHBondContact O-CD 3.47Å; S1802-P1804 VanDerWaalsContact C-CD 3.49Å; P1804-Q1808 WeakPolarHBondContact O-CG 3.24Å; P1804-Q1808 PolarHBondContact O-NE2 3.01Å |
| 1805 | L | 81.3 | Confident | 77.3 | Confident | 25.8 Ų | 25.8 | 43.8 Ų | 43.8 | 14% | 0.135 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -82.3 | -35.5 | 171.6 | -63.6 | -173.8 | 0 | 0 | 0 | 111.4 | V1786 A1790 W1791 L1794 S1802 E1803 E1807 Q1808 L1809 | V1786-L1805 HydrophobicContact CG1-CB 4.32Å; V1786-L1805 HydrophobicContact CG1-CD1 4.46Å; V1786-L1805 HydrophobicContact CG2-CB 4.36Å; V1786-L1805 HydrophobicContact CG2-CD2 4.39Å; V1786-L1805 WeakPolarHBondContact CG2-O 3.49Å; A1790-L1805 HydrophobicContact CB-CD1 4.32Å; W1791-L1805 HydrophobicContact CE3-CB 4.4Å; W1791-L1805 HydrophobicContact CE3-CD1 4.05Å; W1791-L1805 HydrophobicContact CZ3-CB 4.24Å; W1791-L1805 HydrophobicContact CZ3-CD1 4.34Å; L1794-L1805 HydrophobicContact CD1-CD1 3.49Å; L1794-L1805 VanDerWaalsContact CD1-CD1 3.44Å; L1794-L1805 HydrophobicContact CD1-CG 4.22Å; L1794-L1805 HydrophobicContact CG-CD1 4.28Å; S1802-L1805 WeakPolarHBondContact O-CB 3.32Å; S1802-L1805 PolarHBondContact O-N 3.15Å; E1803-L1805 PolarHBondContact O-N 3.39Å; L1805-E1807 VanDerWaalsContact C-N 3.33Å; L1805-E1807 PolarHBondContact O-N 3.02Å; L1805-Q1808 WeakPolarHBondContact O-CA 3.46Å; L1805-Q1808 WeakPolarHBondContact O-CB 3.39Å; L1805-Q1808 PolarHBondContact O-N 3.2Å; L1805-Q1808 VanDerWaalsContact O-N 3.12Å; L1805-L1809 PolarHBondContact O-N 2.86Å |
| 1806 | I | 82.7 | Confident | 77.5 | Confident | 13.2 Ų | 13.2 | 43 Ų | 43 | 7% | 0.068 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.4 | -40.7 | 178.7 | -64.9 | 166.6 | 0 | 0 | 0 | 110.8 | L1500 I1503 L1730 V1731 W1791 S1802 E1803 Q1808 L1809 | L1500-I1806 HydrophobicContact CB-CD1 3.64Å; L1500-I1806 HydrophobicContact CD1-CD1 3.75Å; L1500-I1806 HydrophobicContact CD1-CG1 4.27Å; L1500-I1806 HydrophobicContact CD2-CD1 4.2Å; L1500-I1806 HydrophobicContact CG-CD1 4.05Å; I1503-I1806 HydrophobicContact CD1-CG2 3.97Å; L1730-I1806 HydrophobicContact CB-CG2 4.27Å; L1730-I1806 HydrophobicContact CD1-CG2 4.27Å; L1730-I1806 HydrophobicContact CD2-CG2 4.1Å; V1731-I1806 HydrophobicContact CB-CG2 4.49Å; V1731-I1806 HydrophobicContact CG2-CG2 3.67Å; W1791-I1806 HydrophobicContact CH2-CG1 4.31Å; S1802-I1806 WeakPolarHBondContact O-CG1 3.33Å; S1802-I1806 PolarHBondContact O-N 3.26Å; S1802-I1806 VanDerWaalsContact O-N 3.16Å; S1802-I1806 WeakPolarHBondContact OG-CD1 3.4Å; E1803-I1806 WeakPolarHBondContact O-CB 3.3Å; E1803-I1806 PolarHBondContact O-N 2.99Å; E1803-I1806 VanDerWaalsContact O-N 3.1Å; I1806-Q1808 PolarHBondContact O-N 3.14Å; I1806-Q1808 VanDerWaalsContact O-N 3.13Å; I1806-L1809 PolarHBondContact O-N 3.31Å; I1806-L1809 VanDerWaalsContact O-N 3.11Å |
| 1807 | E | 82.5 | Confident | 78.2 | Confident | 115 Ų | 115 | 45.1 Ų | 45.1 | 54% | 0.537 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -19 | 175.3 | -70.6 | -179.4 | 168.5 | 0 | 0 | 113.4 | R1499 V1731 E1803 L1805 L1809 | R1499-E1807 IonicContact CZ-OE1 3.16Å; R1499-E1807 IonicContact NH1-OE1 2.96Å; R1499-E1807 PolarHBondContact NH1-OE1 2.92Å; R1499-E1807 IonicContact NH2-OE1 3.99Å; V1731-E1807 HydrophobicContact CG2-CG 4.02Å; E1803-E1807 WeakPolarHBondContact O-CG 3.47Å; E1803-E1807 PolarHBondContact O-N 3Å; E1803-E1807 VanDerWaalsContact O-N 3.12Å; L1805-E1807 VanDerWaalsContact C-N 3.33Å; L1805-E1807 PolarHBondContact O-N 3.02Å; E1807-L1809 VanDerWaalsContact C-N 3.32Å |
| 1808 | Q | 84.2 | Confident | 78.7 | Confident | 48.6 Ų | 48.6 | 45.1 Ų | 45.1 | 23% | 0.227 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -0.7 | 178.1 | -63.2 | 177.3 | 32.8 | 0 | 0 | 113.2 | P1780 S1781 K1785 V1786 P1804 L1805 I1806 | P1780-Q1808 CarbonylContact C-O 3.59Å; P1780-Q1808 VanDerWaalsContact CA-O 3.3Å; P1780-Q1808 WeakPolarHBondContact CA-O 3.31Å; S1781-Q1808 WeakPolarHBondContact CB-O 3.33Å; S1781-Q1808 PolarHBondContact N-O 3.15Å; S1781-Q1808 PolarHBondContact OG-O 3.11Å; S1781-Q1808 VanDerWaalsContact OG-O 3.14Å; K1785-Q1808 HydrophobicContact CD-CB 4.37Å; K1785-Q1808 HydrophobicContact CD-CG 4.26Å; K1785-Q1808 VanDerWaalsContact CE-CD 3.42Å; K1785-Q1808 VanDerWaalsContact CE-OE1 3.26Å; V1786-Q1808 HydrophobicContact CG2-CB 3.71Å; P1804-Q1808 WeakPolarHBondContact O-CG 3.24Å; P1804-Q1808 PolarHBondContact O-NE2 3.01Å; L1805-Q1808 WeakPolarHBondContact O-CA 3.46Å; L1805-Q1808 WeakPolarHBondContact O-CB 3.39Å; L1805-Q1808 PolarHBondContact O-N 3.2Å; L1805-Q1808 VanDerWaalsContact O-N 3.12Å; I1806-Q1808 PolarHBondContact O-N 3.14Å; I1806-Q1808 VanDerWaalsContact O-N 3.13Å |
| 1809 | L | 85.5 | Confident | 79.4 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 143.2 | 176.5 | -69.6 | 171.4 | 0 | 0 | 0 | 111.2 | L1605 L1730 V1778 P1780 V1786 W1791 L1805 I1806 E1807 | L1605-L1809 HydrophobicContact CD1-CD1 4.42Å; L1730-L1809 HydrophobicContact CB-CB 4.23Å; L1730-L1809 VanDerWaalsContact CB-O 3.24Å; L1730-L1809 WeakPolarHBondContact CB-O 3.37Å; L1730-L1809 HydrophobicContact CD1-CB 3.77Å; L1730-L1809 VanDerWaalsContact CD1-CB 3.45Å; L1730-L1809 HydrophobicContact CD1-CD1 4.44Å; L1730-L1809 HydrophobicContact CD2-CB 4.02Å; L1730-L1809 HydrophobicContact CD2-CD1 4.16Å; L1730-L1809 PolarHBondContact N-O 2.8Å; V1778-L1809 HydrophobicContact CG2-CD1 4.31Å; V1778-L1809 HydrophobicContact CG2-CD2 4.22Å; P1780-L1809 HydrophobicContact CB-CD2 4.4Å; P1780-L1809 HydrophobicContact CG-CD2 4.3Å; V1786-L1809 HydrophobicContact CB-CD2 4.02Å; V1786-L1809 HydrophobicContact CB-CG 4.43Å; V1786-L1809 HydrophobicContact CG1-CD1 4.42Å; V1786-L1809 HydrophobicContact CG1-CD2 4.11Å; V1786-L1809 HydrophobicContact CG1-CG 4.33Å; V1786-L1809 HydrophobicContact CG2-CD2 4.25Å; V1786-L1809 HydrophobicContact CG2-CG 4.32Å; W1791-L1809 HydrophobicContact CH2-CD1 4.45Å; W1791-L1809 HydrophobicContact CZ3-CD1 4.31Å; L1805-L1809 PolarHBondContact O-N 2.86Å; I1806-L1809 PolarHBondContact O-N 3.31Å; I1806-L1809 VanDerWaalsContact O-N 3.11Å; E1807-L1809 VanDerWaalsContact C-N 3.32Å |
| 1810 | N | 85.6 | Confident | 79.6 | Confident | 5.4 Ų | 5.4 | 48.2 Ų | 48.2 | 3% | 0.029 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 150.3 | 178.1 | -60.3 | -61.1 | 0 | 0 | 0 | 110.2 | T1727 I1728 L1730 V1778 W1779 S1781 | T1727-N1810 VanDerWaalsContact CB-CG 3.4Å; T1727-N1810 VanDerWaalsContact CB-OD1 3.29Å; T1727-N1810 WeakPolarHBondContact CB-OD1 3.34Å; T1727-N1810 HydrophobicContact CG2-CB 4.41Å; T1727-N1810 VanDerWaalsContact CG2-ND2 3.3Å; T1727-N1810 WeakPolarHBondContact CG2-ND2 3.46Å; T1727-N1810 PolarHBondContact OG1-OD1 3.01Å; I1728-N1810 CarbonylContact O-C 3.51Å; I1728-N1810 VanDerWaalsContact O-CA 3.26Å; I1728-N1810 WeakPolarHBondContact O-CA 3.35Å; I1728-N1810 WeakPolarHBondContact O-CB 3.34Å; L1730-N1810 VanDerWaalsContact CD1-C 3.42Å; V1778-N1810 CarbonylContact C-O 3.49Å; V1778-N1810 WeakPolarHBondContact CA-O 3.37Å; V1778-N1810 WeakPolarHBondContact CB-O 3.37Å; W1779-N1810 HydrophobicContact CD2-CB 4.24Å; W1779-N1810 HydrophobicContact CG-CB 4.35Å; W1779-N1810 HydrophobicContact CZ2-CB 4.21Å; W1779-N1810 PolarHBondContact N-O 2.96Å; W1779-N1810 WeakPolarHBondContact O-CB 3.35Å; W1779-N1810 PolarHBondContact O-N 3.19Å; W1779-N1810 PolarHBondContact O-ND2 3.37Å; S1781-N1810 WeakPolarHBondContact CA-ND2 3.3Å; S1781-N1810 PolarHBondContact N-ND2 3.46Å |
| 1811 | I | 83.7 | Confident | 80 | Confident | 37.4 Ų | 37.4 | 48.2 Ų | 48.2 | 19% | 0.192 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 135 | 174.9 | -61.4 | 172.2 | 0 | 0 | 0 | 108.9 | I1728 P1729 L1730 S1734 Y1740 Y1758 I1776 W1779 T1813 | I1728-I1811 HydrophobicContact CB-CB 4.48Å; I1728-I1811 HydrophobicContact CG2-CB 4.5Å; I1728-I1811 HydrophobicContact CG2-CD1 4.23Å; I1728-I1811 PolarHBondContact O-N 3.07Å; P1729-I1811 WeakPolarHBondContact O-CD1 3.33Å; L1730-I1811 HydrophobicContact CB-CG1 4.43Å; L1730-I1811 HydrophobicContact CD1-CB 4.47Å; L1730-I1811 HydrophobicContact CD1-CD1 4.18Å; L1730-I1811 HydrophobicContact CD1-CG1 3.63Å; L1730-I1811 HydrophobicContact CD2-CD1 4.32Å; L1730-I1811 HydrophobicContact CD2-CG1 3.56Å; L1730-I1811 HydrophobicContact CG-CG1 4.12Å; S1734-I1811 VanDerWaalsContact OG-CD1 3.29Å; S1734-I1811 WeakPolarHBondContact OG-CD1 3.2Å; Y1740-I1811 HydrophobicContact CE2-CD1 4.06Å; Y1758-I1811 HydrophobicContact CE1-CD1 4.15Å; I1776-I1811 HydrophobicContact CD1-CD1 4.41Å; I1776-I1811 HydrophobicContact CD1-CG1 4.25Å; I1776-I1811 HydrophobicContact CD1-CG2 4.21Å; W1779-I1811 PolarHBondContact NE1-O 3.12Å; W1779-I1811 VanDerWaalsContact NE1-O 3.14Å; I1811-T1813 HydrophobicContact CG2-CG2 4.27Å |
| 1812 | Y | 81.3 | Confident | 80.5 | Confident | 47.6 Ų | 47.6 | 47.2 Ų | 47.2 | 19% | 0.187 | 27% | 0.273 | C | S | . | . | trans | -78.1 | 130.2 | 168.9 | 173.7 | -109.9 | 0 | 0 | 0 | 110.5 | L1409 Y1758 N1760 Q1777 | L1409-Y1812 HydrophobicContact CD1-CD1 4.17Å; L1409-Y1812 HydrophobicContact CD1-CD2 4.27Å; L1409-Y1812 HydrophobicContact CD1-CE1 4.23Å; L1409-Y1812 HydrophobicContact CD1-CE2 4.33Å; L1409-Y1812 HydrophobicContact CD1-CG 4.18Å; L1409-Y1812 HydrophobicContact CD2-CD1 4.4Å; L1409-Y1812 HydrophobicContact CD2-CD2 3.52Å; L1409-Y1812 VanDerWaalsContact CD2-CD2 3.48Å; L1409-Y1812 HydrophobicContact CD2-CE2 4.21Å; L1409-Y1812 HydrophobicContact CD2-CG 3.62Å; L1409-Y1812 HydrophobicContact CG-CD2 4.48Å; Y1758-Y1812 VanDerWaalsContact CB-OH 3.28Å; Y1758-Y1812 WeakPolarHBondContact CB-OH 3.32Å; Y1758-Y1812 HydrophobicContact CD1-CE2 4.22Å; Y1758-Y1812 AromaticContact CD1-CZ 3.85Å; Y1758-Y1812 WeakPolarHBondContact CD1-OH 3.36Å; Y1758-Y1812 WeakPolarHBondContact CD2-OH 3.45Å; Y1758-Y1812 HydrophobicContact CE1-CE2 4.08Å; Y1758-Y1812 PolarHBondContact O-OH 3.3Å; N1760-Y1812 PolarHBondContact ND2-O 3.19Å; N1760-Y1812 VanDerWaalsContact OD1-CD1 3.25Å; N1760-Y1812 WeakPolarHBondContact OD1-CD1 3.22Å; N1760-Y1812 WeakPolarHBondContact OD1-CE1 3.41Å; Q1777-Y1812 HydrophobicContact CB-CD1 4.08Å; Q1777-Y1812 HydrophobicContact CB-CG 4.37Å; Q1777-Y1812 WeakPolarHBondContact O-CB 3.41Å; Q1777-Y1812 PolarHBondContact O-N 3.06Å; Q1777-Y1812 VanDerWaalsContact OE1-CD1 3.23Å | ||
| 1813 | T | 78.3 | Confident | 80.5 | Confident | 35.2 Ų | 35.2 | 50.6 Ų | 50.6 | 22% | 0.216 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -131.8 | 143.8 | 169 | 68.7 | 0 | 0 | 0 | 0 | 109.2 | I1728 I1811 A1815 L1816 | I1728-T1813 HydrophobicContact CD1-CG2 4.11Å; I1811-T1813 HydrophobicContact CG2-CG2 4.27Å; T1813-A1815 PolarHBondContact O-N 3.03Å; T1813-A1815 VanDerWaalsContact O-N 3.13Å; T1813-L1816 CarbonylContact O-C 3.55Å; T1813-L1816 VanDerWaalsContact O-C 3.3Å; T1813-L1816 PolarHBondContact O-N 3.05Å; T1813-L1816 WeakPolarHBondContact OG1-CB 3.39Å; T1813-L1816 PolarHBondContact OG1-N 3.01Å |
| 1814 | P | 73.6 | Confident | 80.7 | Confident | 104 Ų | 104 | 52.1 Ų | 52.1 | 68% | 0.675 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -22 | 178.3 | -25.7 | 34.6 | 0 | 0 | 0 | 114.2 | N1760 L1816 | N1760-P1814 HydrophobicContact CB-CG 4.17Å; P1814-L1816 VanDerWaalsContact C-N 3.3Å; P1814-L1816 PolarHBondContact O-N 2.79Å |
| 1815 | A | 73.9 | Confident | 80.9 | Confident | 89.8 Ų | 89.8 | 49.8 Ų | 49.8 | 74% | 0.742 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -19.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | T1813 | T1813-A1815 PolarHBondContact O-N 3.03Å; T1813-A1815 VanDerWaalsContact O-N 3.13Å |
| 1816 | L | 75 | Confident | 81.2 | Confident | 42 Ų | 42 | 54.1 Ų | 54.1 | 22% | 0.22 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -131.5 | 83 | -177.2 | -86.6 | 146.9 | 0 | 0 | 0 | 109.8 | Q1726 I1728 T1813 P1814 | Q1726-L1816 HydrophobicContact CB-CD1 3.77Å; Q1726-L1816 HydrophobicContact CB-CD2 4.07Å; Q1726-L1816 HydrophobicContact CB-CG 4.42Å; Q1726-L1816 VanDerWaalsContact O-CD2 3.23Å; Q1726-L1816 WeakPolarHBondContact O-CD2 3.36Å; I1728-L1816 HydrophobicContact CD1-CD1 3.86Å; I1728-L1816 HydrophobicContact CG1-CD1 3.99Å; I1728-L1816 HydrophobicContact CG1-CD2 4.21Å; T1813-L1816 CarbonylContact O-C 3.55Å; T1813-L1816 VanDerWaalsContact O-C 3.3Å; T1813-L1816 PolarHBondContact O-N 3.05Å; T1813-L1816 WeakPolarHBondContact OG1-CB 3.39Å; T1813-L1816 PolarHBondContact OG1-N 3.01Å; P1814-L1816 VanDerWaalsContact C-N 3.3Å; P1814-L1816 PolarHBondContact O-N 2.79Å |
| 1817 | P | 76.3 | Confident | 81.4 | Confident | 52 Ų | 52 | 54.2 Ų | 54.2 | 34% | 0.338 | 32% | 0.319 | S | S | . | . | trans | -66.8 | 146 | 177.3 | 28.4 | -34.6 | 0 | 0 | 0 | 111.3 | S1724 Y1758 Y1819 I1820 | S1724-P1817 WeakPolarHBondContact CB-O 3.43Å; Y1758-P1817 WeakPolarHBondContact OH-CB 3.15Å; P1817-Y1819 VanDerWaalsContact C-N 3.27Å; P1817-Y1819 PolarHBondContact O-N 3.16Å; P1817-I1820 HydrophobicContact CG-CG1 4.41Å | ||
| 1818 | P | 78.9 | Confident | 81.7 | Confident | 6.2 Ų | 6.2 | 53.4 Ų | 53.4 | 4% | 0.04 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -65 | -26.9 | -176.7 | 23.3 | -32.4 | 0 | 0 | 0 | 113.4 | P1408 L1409 W1723 S1724 W1779 | P1408-P1818 WeakPolarHBondContact O-CG 3.21Å; L1409-P1818 HydrophobicContact CD2-CG 4.1Å; W1723-P1818 HydrophobicContact CH2-CB 4.27Å; W1723-P1818 HydrophobicContact CZ2-CB 4.48Å; W1723-P1818 HydrophobicContact CZ3-CB 4.49Å; S1724-P1818 WeakPolarHBondContact CB-O 3.35Å; S1724-P1818 PolarHBondContact N-O 3.08Å; W1779-P1818 HydrophobicContact CB-CB 4.3Å; W1779-P1818 HydrophobicContact CD2-CB 3.58Å; W1779-P1818 HydrophobicContact CE3-CB 3.48Å; W1779-P1818 VanDerWaalsContact CE3-CB 3.43Å; W1779-P1818 HydrophobicContact CG-CB 3.94Å; W1779-P1818 HydrophobicContact CH2-CB 4.48Å; W1779-P1818 HydrophobicContact CZ3-CB 3.97Å; W1779-P1818 WeakPolarHBondContact CZ3-O 3.28Å |
| 1819 | Y | 82.9 | Confident | 81.8 | Confident | 50 Ų | 50 | 55.3 Ų | 55.3 | 20% | 0.196 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 141.8 | 177 | 54.9 | -93 | 0 | 0 | 0 | 111 | P1408 L1616 Y1721 F1722 Y1758 P1817 | P1408-Y1819 HydrophobicContact CB-CD1 4.41Å; P1408-Y1819 HydrophobicContact CB-CE1 3.84Å; P1408-Y1819 HydrophobicContact CG-CE1 4.38Å; L1616-Y1819 HydrophobicContact CD1-CD1 4.04Å; L1616-Y1819 HydrophobicContact CD1-CE1 3.66Å; L1616-Y1819 VanDerWaalsContact CD1-CE1 3.47Å; L1616-Y1819 HydrophobicContact CD1-CG 4.26Å; L1616-Y1819 HydrophobicContact CD2-CD1 4.39Å; L1616-Y1819 HydrophobicContact CD2-CD2 4.43Å; L1616-Y1819 HydrophobicContact CD2-CE1 4.29Å; L1616-Y1819 HydrophobicContact CD2-CE2 4.38Å; L1616-Y1819 HydrophobicContact CG-CE1 4.46Å; Y1721-Y1819 AromaticContact CD1-CD2 3.48Å; Y1721-Y1819 HydrophobicContact CD1-CD2 3.48Å; Y1721-Y1819 VanDerWaalsContact CD1-CD2 3.5Å; Y1721-Y1819 AromaticContact CD1-CE2 3.87Å; Y1721-Y1819 HydrophobicContact CD1-CE2 4.11Å; Y1721-Y1819 HydrophobicContact CD1-CG 4.42Å; Y1721-Y1819 AromaticContact CE1-CD2 3.84Å; Y1721-Y1819 HydrophobicContact CE1-CD2 3.84Å; Y1721-Y1819 AromaticContact CE1-CE2 3.71Å; Y1721-Y1819 HydrophobicContact CE1-CE2 3.98Å; Y1721-Y1819 HydrophobicContact CG-CD2 4.05Å; F1722-Y1819 CarbonylContact O-C 3.54Å; F1722-Y1819 WeakPolarHBondContact O-CA 3.35Å; F1722-Y1819 WeakPolarHBondContact O-CB 3.43Å; Y1758-Y1819 HydrophobicContact CE2-CE1 4.24Å; Y1758-Y1819 HydrophobicContact CE2-CE2 4.25Å; Y1758-Y1819 AromaticContact CE2-CZ 3.69Å; Y1758-Y1819 VanDerWaalsContact CE2-OH 3.24Å; Y1758-Y1819 WeakPolarHBondContact CE2-OH 3.49Å; Y1758-Y1819 AromaticContact CZ-CZ 3.94Å; Y1758-Y1819 WeakPolarHBondContact OH-CE1 3.25Å; Y1758-Y1819 VanDerWaalsContact OH-CZ 3.3Å; Y1758-Y1819 PolarHBondContact OH-OH 3.34Å; P1817-Y1819 VanDerWaalsContact C-N 3.27Å; P1817-Y1819 PolarHBondContact O-N 3.16Å |
| 1820 | I | 82.5 | Confident | 81.8 | Confident | 75 Ų | 75 | 59.6 Ų | 59.6 | 39% | 0.385 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 126.5 | -175.2 | -58.6 | 169.3 | 0 | 0 | 0 | 108.7 | Y1721 F1722 P1817 | Y1721-I1820 CarbonylContact C-O 3.41Å; Y1721-I1820 VanDerWaalsContact CA-O 3.24Å; Y1721-I1820 WeakPolarHBondContact CA-O 3.27Å; F1722-I1820 HydrophobicContact CB-CB 4.48Å; F1722-I1820 HydrophobicContact CD1-CB 4.18Å; F1722-I1820 HydrophobicContact CD1-CG2 4.43Å; F1722-I1820 WeakPolarHBondContact CD1-O 3.31Å; F1722-I1820 HydrophobicContact CD2-CB 4.45Å; F1722-I1820 HydrophobicContact CE1-CB 3.66Å; F1722-I1820 HydrophobicContact CE1-CG2 3.53Å; F1722-I1820 HydrophobicContact CE2-CB 3.97Å; F1722-I1820 HydrophobicContact CE2-CD1 3.78Å; F1722-I1820 HydrophobicContact CE2-CG1 4.38Å; F1722-I1820 HydrophobicContact CE2-CG2 4.41Å; F1722-I1820 HydrophobicContact CZ-CB 3.56Å; F1722-I1820 HydrophobicContact CZ-CD1 3.83Å; F1722-I1820 HydrophobicContact CZ-CG1 4.28Å; F1722-I1820 HydrophobicContact CZ-CG2 3.53Å; F1722-I1820 PolarHBondContact N-O 2.91Å; F1722-I1820 PolarHBondContact O-N 3.05Å; P1817-I1820 HydrophobicContact CG-CG1 4.41Å |
| 1821 | A | 82.6 | Confident | 81.7 | Confident | 67 Ų | 67 | 60.3 Ų | 60.3 | 55% | 0.554 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71 | 133.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y1721 G1823 | Y1721-A1821 VanDerWaalsContact CD1-CA 3.45Å; Y1721-A1821 HydrophobicContact CD1-CB 3.85Å; Y1721-A1821 HydrophobicContact CE1-CB 3.7Å; A1821-G1823 PolarHBondContact O-N 3.02Å |
| 1822 | M | 83.1 | Confident | 81.8 | Confident | 29.4 Ų | 29.4 | 65.3 Ų | 65.3 | 15% | 0.145 | 38% | 0.379 | C | S | . | . | trans | -90.2 | 91.4 | 174.6 | -63.3 | -175.9 | 76.1 | 0 | 0 | 110.7 | H1706 P1708 A1720 F1722 E1824 V1825 | H1706-M1822 HydrophobicContact CB-CE 4.44Å; H1706-M1822 VanDerWaalsContact O-CE 3.26Å; H1706-M1822 WeakPolarHBondContact O-CE 3.46Å; P1708-M1822 HydrophobicContact CB-SD 3.73Å; P1708-M1822 HydrophobicContact CG-SD 4.19Å; A1720-M1822 HydrophobicContact CB-CB 4.13Å; A1720-M1822 HydrophobicContact CB-CG 4.4Å; A1720-M1822 HydrophobicContact CB-SD 4.03Å; A1720-M1822 WeakPolarHBondContact O-CB 3.23Å; A1720-M1822 PolarHBondContact O-N 2.68Å; F1722-M1822 HydrophobicContact CD1-CG 3.94Å; F1722-M1822 HydrophobicContact CD2-CE 4.37Å; F1722-M1822 HydrophobicContact CD2-CG 3.61Å; F1722-M1822 VanDerWaalsContact CD2-CG 3.48Å; F1722-M1822 HydrophobicContact CD2-SD 3.88Å; F1722-M1822 HydrophobicContact CE1-CE 4.39Å; F1722-M1822 HydrophobicContact CE1-SD 4.16Å; F1722-M1822 HydrophobicContact CE2-CE 3.33Å; F1722-M1822 VanDerWaalsContact CE2-CE 3.48Å; F1722-M1822 HydrophobicContact CE2-CG 3.38Å; F1722-M1822 VanDerWaalsContact CE2-CG 3.45Å; F1722-M1822 HydrophobicContact CE2-SD 3.22Å; F1722-M1822 WeakPolarHBondContact CE2-SD 3.13Å; F1722-M1822 HydrophobicContact CG-CG 4.4Å; F1722-M1822 HydrophobicContact CG-SD 4.41Å; F1722-M1822 HydrophobicContact CZ-CE 3.34Å; F1722-M1822 HydrophobicContact CZ-CG 4.12Å; F1722-M1822 HydrophobicContact CZ-SD 3.31Å; F1722-M1822 WeakPolarHBondContact CZ-SD 3.39Å; M1822-E1824 PolarHBondContact O-N 2.93Å; M1822-E1824 VanDerWaalsContact O-N 3.13Å; M1822-V1825 HydrophobicContact CB-CB 4.09Å; M1822-V1825 HydrophobicContact CB-CG2 3.77Å; M1822-V1825 HydrophobicContact CE-CB 4.43Å; M1822-V1825 HydrophobicContact CE-CG2 3.55Å; M1822-V1825 VanDerWaalsContact CE-CG2 3.44Å; M1822-V1825 HydrophobicContact CG-CG2 4.49Å; M1822-V1825 PolarHBondContact O-N 3.22Å; M1822-V1825 HydrophobicContact SD-CG2 4.15Å | ||
| 1823 | G | 77.6 | Confident | 82 | Confident | 77.6 Ų | 77.6 | 68.1 Ų | 68.1 | 80% | 0.8 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -17.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115 | A1821 V1825 | A1821-G1823 PolarHBondContact O-N 3.02Å; G1823-V1825 PolarHBondContact O-N 2.76Å; G1823-V1825 VanDerWaalsContact O-N 3.14Å |
| 1824 | E | 81.8 | Confident | 82.4 | Confident | 101.2 Ų | 101.2 | 68.5 Ų | 68.5 | 47% | 0.473 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 9.6 | -178.7 | -56.4 | -160.9 | 148 | 0 | 0 | 114.7 | M1822 H1839 S1840 R1841 | M1822-E1824 PolarHBondContact O-N 2.93Å; M1822-E1824 VanDerWaalsContact O-N 3.13Å; E1824-H1839 PolarHBondContact O-ND1 2.7Å; E1824-H1839 IonicContact OE2-CE1 3.27Å; E1824-H1839 IonicContact OE2-NE2 3.4Å; E1824-H1839 PolarHBondContact OE2-NE2 2.96Å; E1824-H1839 VanDerWaalsContact OE2-NE2 3.16Å; E1824-S1840 VanDerWaalsContact O-CB 3.28Å; E1824-S1840 WeakPolarHBondContact O-CB 3.33Å; E1824-S1840 PolarHBondContact O-N 3.33Å; E1824-S1840 PolarHBondContact O-OG 3.06Å; E1824-R1841 IonicContact OE1-CZ 3.44Å; E1824-R1841 IonicContact OE1-NE 2.69Å; E1824-R1841 IonicContact OE1-NH1 3.3Å; E1824-R1841 PolarHBondContact OE1-NH1 2.81Å; E1824-R1841 IonicContact OE1-NH2 3.2Å; E1824-R1841 PolarHBondContact OE1-NH2 3.13Å; E1824-R1841 VanDerWaalsContact OE2-CD 3.28Å; E1824-R1841 WeakPolarHBondContact OE2-CD 3.48Å; E1824-R1841 IonicContact OE2-CZ 2.72Å; E1824-R1841 IonicContact OE2-NE 2.66Å; E1824-R1841 PolarHBondContact OE2-NE 2.71Å; E1824-R1841 IonicContact OE2-NH1 2.91Å; E1824-R1841 PolarHBondContact OE2-NH1 2.79Å; E1824-R1841 IonicContact OE2-NH2 2.71Å |
| 1825 | V | 84.8 | Confident | 83.1 | Confident | 21.2 Ų | 21.2 | 64.4 Ų | 64.4 | 13% | 0.128 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 131.3 | -177.7 | 179.3 | 0 | 0 | 0 | 0 | 111.9 | L1704 A1720 M1822 G1823 V1827 V1837 S1838 | L1704-V1825 HydrophobicContact CD2-CB 4.46Å; L1704-V1825 HydrophobicContact CD2-CG1 4.36Å; L1704-V1825 HydrophobicContact CD2-CG2 3.57Å; A1720-V1825 HydrophobicContact CB-CB 4.04Å; A1720-V1825 HydrophobicContact CB-CG1 3.69Å; M1822-V1825 HydrophobicContact CB-CB 4.09Å; M1822-V1825 HydrophobicContact CB-CG2 3.77Å; M1822-V1825 HydrophobicContact CE-CB 4.43Å; M1822-V1825 HydrophobicContact CE-CG2 3.55Å; M1822-V1825 VanDerWaalsContact CE-CG2 3.44Å; M1822-V1825 HydrophobicContact CG-CG2 4.49Å; M1822-V1825 PolarHBondContact O-N 3.22Å; M1822-V1825 HydrophobicContact SD-CG2 4.15Å; G1823-V1825 PolarHBondContact O-N 2.76Å; G1823-V1825 VanDerWaalsContact O-N 3.14Å; V1825-V1827 HydrophobicContact CG1-CG2 4.43Å; V1825-V1837 HydrophobicContact CG1-CB 4.25Å; V1825-V1837 HydrophobicContact CG1-CG1 3.67Å; V1825-S1838 WeakPolarHBondContact CA-O 3.21Å |
| 1826 | K | 87.8 | Confident | 83.7 | Confident | 116 Ų | 116 | 60.9 Ų | 60.9 | 50% | 0.504 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 125.9 | 169.9 | -172.7 | -169.3 | 178.3 | -163.2 | 0 | 109.5 | E1828 V1837 S1838 | K1826-E1828 WeakPolarHBondContact CE-OE2 3.4Å; K1826-E1828 IonicContact NZ-OE1 3.2Å; K1826-E1828 IonicContact NZ-OE2 3.39Å; K1826-E1828 PolarHBondContact NZ-OE2 3Å; K1826-V1837 WeakPolarHBondContact O-CA 3.35Å; K1826-S1838 PolarHBondContact N-O 3.07Å; K1826-S1838 PolarHBondContact O-N 3.11Å; K1826-S1838 PolarHBondContact O-OG 2.88Å |
| 1827 | V | 88.5 | Confident | 84.3 | Confident | 15.4 Ų | 15.4 | 59.7 Ų | 59.7 | 9% | 0.093 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 137.6 | 173.2 | -175.3 | 0 | 0 | 0 | 0 | 109.4 | I1711 Q1718 A1720 V1825 Y1835 A1836 V1837 | I1711-V1827 HydrophobicContact CD1-CG1 4.02Å; I1711-V1827 HydrophobicContact CG2-CG1 4.12Å; Q1718-V1827 HydrophobicContact CB-CB 4.07Å; Q1718-V1827 HydrophobicContact CB-CG1 3.93Å; A1720-V1827 HydrophobicContact CB-CG2 3.76Å; V1825-V1827 HydrophobicContact CG1-CG2 4.43Å; V1827-Y1835 HydrophobicContact CG1-CD1 3.93Å; V1827-Y1835 HydrophobicContact CG1-CG 4.44Å; V1827-A1836 CarbonylContact C-O 3.53Å; V1827-A1836 WeakPolarHBondContact CA-O 3.38Å; V1827-V1837 HydrophobicContact CG2-CG1 4.39Å; V1827-V1837 HydrophobicContact CG2-CG2 4.37Å |
| 1828 | E | 87.6 | Confident | 84.9 | Confident | 97.6 Ų | 97.6 | 58.8 Ų | 58.8 | 46% | 0.456 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 122.7 | 176.4 | -176.7 | 172.7 | 169.9 | 0 | 0 | 110.1 | K1826 Y1835 A1836 | K1826-E1828 WeakPolarHBondContact CE-OE2 3.4Å; K1826-E1828 IonicContact NZ-OE1 3.2Å; K1826-E1828 IonicContact NZ-OE2 3.39Å; K1826-E1828 PolarHBondContact NZ-OE2 3Å; E1828-Y1835 CarbonylContact O-C 3.51Å; E1828-Y1835 WeakPolarHBondContact O-CA 3.37Å; E1828-A1836 HydrophobicContact CB-CB 4.39Å; E1828-A1836 PolarHBondContact N-O 2.96Å; E1828-A1836 PolarHBondContact O-N 3Å |
| 1829 | Y | 87 | Confident | 85.3 | Confident | 88.6 Ų | 88.6 | 59.7 Ų | 59.7 | 35% | 0.347 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 123.5 | 179.7 | 177.6 | -112.5 | 0 | 0 | 0 | 111.4 | K1400 L1401 G1831 N1832 Y1833 M1834 Y1835 | K1400-Y1829 WeakPolarHBondContact O-CE2 3.46Å; K1400-Y1829 PolarHBondContact O-OH 3.01Å; L1401-Y1829 HydrophobicContact CD2-CD1 4.28Å; L1401-Y1829 HydrophobicContact CD2-CD2 4.33Å; L1401-Y1829 HydrophobicContact CD2-CE1 4.36Å; L1401-Y1829 HydrophobicContact CD2-CE2 4.19Å; L1401-Y1829 HydrophobicContact CD2-CG 4.36Å; Y1829-G1831 VanDerWaalsContact CE1-CA 3.48Å; Y1829-G1831 VanDerWaalsContact CZ-CA 3.45Å; Y1829-G1831 VanDerWaalsContact OH-CA 3.28Å; Y1829-G1831 WeakPolarHBondContact OH-CA 3.35Å; Y1829-N1832 PolarHBondContact OH-N 3.27Å; Y1829-Y1833 PolarHBondContact OH-N 2.79Å; Y1829-M1834 VanDerWaalsContact CD2-O 3.3Å; Y1829-M1834 WeakPolarHBondContact CD2-O 3.33Å; Y1829-Y1835 AromaticContact CD2-CD1 3.94Å; Y1829-Y1835 HydrophobicContact CD2-CD1 3.99Å; Y1829-Y1835 AromaticContact CD2-CE1 3.63Å; Y1829-Y1835 HydrophobicContact CD2-CE1 3.63Å; Y1829-Y1835 HydrophobicContact CD2-CE2 4.38Å; Y1829-Y1835 HydrophobicContact CD2-CG 4.43Å; Y1829-Y1835 AromaticContact CD2-CZ 3.87Å; Y1829-Y1835 HydrophobicContact CE2-CE1 4.41Å; Y1829-Y1835 HydrophobicContact CE2-CE2 4.48Å; Y1829-Y1835 HydrophobicContact CG-CE1 4.38Å |
| 1830 | L | 84.3 | Confident | 85.4 | Confident | 93.4 Ų | 93.4 | 60.6 Ų | 60.6 | 49% | 0.489 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | -2.4 | -176.1 | -61.9 | -178.6 | 0 | 0 | 0 | 114 | V1343 M1834 A1836 | V1343-L1830 HydrophobicContact CG1-CD1 3.86Å; V1343-L1830 HydrophobicContact CG2-CD1 3.91Å; L1830-M1834 HydrophobicContact CB-CB 4.27Å; L1830-M1834 PolarHBondContact N-O 3.23Å; L1830-A1836 HydrophobicContact CD1-CB 4Å; L1830-A1836 HydrophobicContact CD2-CB 4.16Å; L1830-A1836 HydrophobicContact CG-CB 4.08Å |
| 1831 | G | 84.2 | Confident | 85.5 | Confident | 20.6 Ų | 20.6 | 66.7 Ų | 66.7 | 21% | 0.212 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 92.1 | 163.4 | -169.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y1829 Y1833 M1834 | Y1829-G1831 VanDerWaalsContact CE1-CA 3.48Å; Y1829-G1831 VanDerWaalsContact CZ-CA 3.45Å; Y1829-G1831 VanDerWaalsContact OH-CA 3.28Å; Y1829-G1831 WeakPolarHBondContact OH-CA 3.35Å; G1831-Y1833 VanDerWaalsContact C-N 3.3Å; G1831-Y1833 PolarHBondContact O-N 3.07Å; G1831-Y1833 VanDerWaalsContact O-N 3.16Å; G1831-M1834 WeakPolarHBondContact O-CB 3.39Å; G1831-M1834 WeakPolarHBondContact O-CE 3.36Å; G1831-M1834 PolarHBondContact O-N 3.19Å; G1831-M1834 VanDerWaalsContact O-N 3.12Å |
| 1832 | N | 84.8 | Confident | 85.5 | Confident | 140.6 Ų | 140.6 | 67.6 Ų | 67.6 | 75% | 0.752 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 43.6 | 178.1 | -61 | -5.8 | 0 | 0 | 0 | 114.1 | Y1829 M1834 | Y1829-N1832 PolarHBondContact OH-N 3.27Å; N1832-M1834 HydrophobicContact CB-CE 4.3Å; N1832-M1834 WeakPolarHBondContact O-CG 3.45Å; N1832-M1834 PolarHBondContact O-N 3.17Å; N1832-M1834 VanDerWaalsContact O-N 3.12Å |
| 1833 | Y | 85.7 | Confident | 85.6 | Confident | 107.6 Ų | 107.6 | 73.1 Ų | 73.1 | 42% | 0.422 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 14.5 | -177.8 | -43.7 | -73.9 | 0 | 0 | 0 | 115.3 | P1346 L1398 S1399 K1400 P1403 Y1829 G1831 Y1835 | P1346-Y1833 WeakPolarHBondContact CD-O 3.22Å; L1398-Y1833 WeakPolarHBondContact O-CE1 3.45Å; L1398-Y1833 PolarHBondContact O-OH 3.28Å; S1399-Y1833 VanDerWaalsContact C-OH 3.3Å; S1399-Y1833 PolarHBondContact O-OH 2.94Å; K1400-Y1833 VanDerWaalsContact C-CD1 3.45Å; K1400-Y1833 VanDerWaalsContact C-CE1 3.47Å; K1400-Y1833 WeakPolarHBondContact O-CD1 3.48Å; K1400-Y1833 PolarHBondContact O-N 3.45Å; P1403-Y1833 HydrophobicContact CB-CD1 4.48Å; P1403-Y1833 HydrophobicContact CB-CE1 4.26Å; P1403-Y1833 HydrophobicContact CG-CD1 4.34Å; P1403-Y1833 HydrophobicContact CG-CG 4.46Å; Y1829-Y1833 PolarHBondContact OH-N 2.79Å; G1831-Y1833 VanDerWaalsContact C-N 3.3Å; G1831-Y1833 PolarHBondContact O-N 3.07Å; G1831-Y1833 VanDerWaalsContact O-N 3.16Å; Y1833-Y1835 WeakPolarHBondContact O-CD2 3.33Å; Y1833-Y1835 VanDerWaalsContact O-CE2 3.25Å; Y1833-Y1835 WeakPolarHBondContact O-CE2 3.31Å |
| 1834 | M | 86.6 | Confident | 86 | Confident | 44.2 Ų | 44.2 | 70.8 Ų | 70.8 | 22% | 0.218 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 141.6 | 179.5 | -60.5 | -110.1 | -80.6 | 0 | 0 | 111.5 | V1343 L1344 G1345 A1622 R1625 Y1829 L1830 G1831 N1832 | V1343-M1834 HydrophobicContact CG1-CB 4.04Å; V1343-M1834 HydrophobicContact CG1-CE 3.88Å; L1344-M1834 WeakPolarHBondContact O-CA 3.23Å; G1345-M1834 VanDerWaalsContact CA-SD 3.56Å; A1622-M1834 HydrophobicContact CB-CE 3.38Å; A1622-M1834 VanDerWaalsContact CB-CE 3.43Å; A1622-M1834 HydrophobicContact CB-SD 4.16Å; R1625-M1834 HydrophobicContact CG-CE 3.99Å; Y1829-M1834 VanDerWaalsContact CD2-O 3.3Å; Y1829-M1834 WeakPolarHBondContact CD2-O 3.33Å; L1830-M1834 HydrophobicContact CB-CB 4.27Å; L1830-M1834 PolarHBondContact N-O 3.23Å; G1831-M1834 WeakPolarHBondContact O-CB 3.39Å; G1831-M1834 WeakPolarHBondContact O-CE 3.36Å; G1831-M1834 PolarHBondContact O-N 3.19Å; G1831-M1834 VanDerWaalsContact O-N 3.12Å; N1832-M1834 HydrophobicContact CB-CE 4.3Å; N1832-M1834 WeakPolarHBondContact O-CG 3.45Å; N1832-M1834 PolarHBondContact O-N 3.17Å; N1832-M1834 VanDerWaalsContact O-N 3.12Å |
| 1835 | Y | 88.1 | Confident | 86.3 | Confident | 17 Ų | 17 | 71.2 Ų | 71.2 | 7% | 0.067 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 127.7 | -178.1 | -59.5 | -91.3 | 0 | 0 | 0 | 110.3 | V1343 L1344 L1401 F1615 V1619 I1711 Q1718 V1827 E1828 Y1829 Y1833 | V1343-Y1835 CarbonylContact C-O 3.55Å; V1343-Y1835 WeakPolarHBondContact CA-O 3.48Å; L1344-Y1835 PolarHBondContact N-O 3.19Å; L1344-Y1835 PolarHBondContact O-N 3.13Å; L1401-Y1835 VanDerWaalsContact C-OH 3.26Å; L1401-Y1835 PolarHBondContact O-OH 3.25Å; F1615-Y1835 WeakPolarHBondContact CE2-OH 3.13Å; F1615-Y1835 WeakPolarHBondContact CZ-OH 3.4Å; V1619-Y1835 HydrophobicContact CG1-CD2 4.32Å; V1619-Y1835 HydrophobicContact CG1-CE2 4.36Å; I1711-Y1835 VanDerWaalsContact CD1-CB 3.41Å; I1711-Y1835 HydrophobicContact CD1-CD1 3.99Å; I1711-Y1835 HydrophobicContact CD1-CD2 3.87Å; I1711-Y1835 HydrophobicContact CD1-CE2 4.48Å; I1711-Y1835 HydrophobicContact CD1-CG 3.47Å; I1711-Y1835 VanDerWaalsContact CD1-CG 3.4Å; I1711-Y1835 HydrophobicContact CG2-CD1 3.98Å; I1711-Y1835 HydrophobicContact CG2-CE1 3.9Å; I1711-Y1835 HydrophobicContact CG2-CG 4.34Å; Q1718-Y1835 HydrophobicContact CG-CE1 4.23Å; Q1718-Y1835 VanDerWaalsContact OE1-CE1 3.29Å; V1827-Y1835 HydrophobicContact CG1-CD1 3.93Å; V1827-Y1835 HydrophobicContact CG1-CG 4.44Å; E1828-Y1835 CarbonylContact O-C 3.51Å; E1828-Y1835 WeakPolarHBondContact O-CA 3.37Å; Y1829-Y1835 AromaticContact CD2-CD1 3.94Å; Y1829-Y1835 HydrophobicContact CD2-CD1 3.99Å; Y1829-Y1835 AromaticContact CD2-CE1 3.63Å; Y1829-Y1835 HydrophobicContact CD2-CE1 3.63Å; Y1829-Y1835 HydrophobicContact CD2-CE2 4.38Å; Y1829-Y1835 HydrophobicContact CD2-CG 4.43Å; Y1829-Y1835 AromaticContact CD2-CZ 3.87Å; Y1829-Y1835 HydrophobicContact CE2-CE1 4.41Å; Y1829-Y1835 HydrophobicContact CE2-CE2 4.48Å; Y1829-Y1835 HydrophobicContact CG-CE1 4.38Å; Y1833-Y1835 WeakPolarHBondContact O-CD2 3.33Å; Y1833-Y1835 VanDerWaalsContact O-CE2 3.25Å; Y1833-Y1835 WeakPolarHBondContact O-CE2 3.31Å |
| 1836 | A | 88.1 | Confident | 86.5 | Confident | 16.6 Ų | 16.6 | 71.1 Ų | 71.1 | 14% | 0.137 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 133.6 | 166 | 0 | 0 | 0 | 0 | 0 | 109.4 | M1341 P1342 V1827 E1828 L1830 | M1341-A1836 HydrophobicContact CB-CB 4.46Å; M1341-A1836 HydrophobicContact CE-CB 3.94Å; P1342-A1836 WeakPolarHBondContact O-CA 3.39Å; V1827-A1836 CarbonylContact C-O 3.53Å; V1827-A1836 WeakPolarHBondContact CA-O 3.38Å; E1828-A1836 HydrophobicContact CB-CB 4.39Å; E1828-A1836 PolarHBondContact N-O 2.96Å; E1828-A1836 PolarHBondContact O-N 3Å; L1830-A1836 HydrophobicContact CD1-CB 4Å; L1830-A1836 HydrophobicContact CD2-CB 4.16Å; L1830-A1836 HydrophobicContact CG-CB 4.08Å |
| 1837 | V | 87.4 | Confident | 86.6 | Confident | 17.2 Ų | 17.2 | 66.7 Ų | 66.7 | 10% | 0.104 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 136.5 | 175.6 | -102.5 | 0 | 0 | 0 | 0 | 109.8 | P1342 L1344 L1704 L1707 P1708 I1711 A1720 V1825 K1826 V1827 | P1342-V1837 HydrophobicContact CB-CG2 3.92Å; P1342-V1837 WeakPolarHBondContact CD-O 3.43Å; P1342-V1837 HydrophobicContact CG-CG2 4.4Å; P1342-V1837 PolarHBondContact O-N 2.95Å; L1344-V1837 HydrophobicContact CD1-CG1 3.77Å; L1344-V1837 HydrophobicContact CD1-CG2 4.09Å; L1344-V1837 HydrophobicContact CG-CG1 4.32Å; L1344-V1837 HydrophobicContact CG-CG2 4.21Å; L1704-V1837 HydrophobicContact CD1-CB 4.48Å; L1704-V1837 HydrophobicContact CD1-CG1 4.27Å; L1704-V1837 HydrophobicContact CD1-CG2 4.04Å; L1707-V1837 HydrophobicContact CD1-CG2 3.88Å; L1707-V1837 HydrophobicContact CD2-CG2 4.28Å; P1708-V1837 HydrophobicContact CG-CB 4.45Å; P1708-V1837 HydrophobicContact CG-CG1 4.08Å; P1708-V1837 HydrophobicContact CG-CG2 4.17Å; I1711-V1837 HydrophobicContact CD1-CG1 4.38Å; I1711-V1837 HydrophobicContact CD1-CG2 3.92Å; A1720-V1837 HydrophobicContact CB-CG1 4.37Å; V1825-V1837 HydrophobicContact CG1-CB 4.25Å; V1825-V1837 HydrophobicContact CG1-CG1 3.67Å; K1826-V1837 WeakPolarHBondContact O-CA 3.35Å; V1827-V1837 HydrophobicContact CG2-CG1 4.39Å; V1827-V1837 HydrophobicContact CG2-CG2 4.37Å |
| 1838 | S | 87.5 | Confident | 86.7 | Confident | 32.2 Ų | 32.2 | 68.3 Ų | 68.3 | 23% | 0.225 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 153.4 | 179.9 | 57.9 | 0 | 0 | 0 | 0 | 111.1 | V1825 K1826 | V1825-S1838 WeakPolarHBondContact CA-O 3.21Å; K1826-S1838 PolarHBondContact N-O 3.07Å; K1826-S1838 PolarHBondContact O-N 3.11Å; K1826-S1838 PolarHBondContact O-OG 2.88Å |
| 1839 | H | 87.9 | Confident | 86.8 | Confident | 25.4 Ų | 25.4 | 65.4 Ų | 65.4 | 12% | 0.118 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 134.6 | 172.2 | -168.4 | -74.5 | 0 | 0 | 0 | 109.7 | G1703 L1704 E1824 R1841 I1842 | G1703-H1839 WeakPolarHBondContact O-CB 3.49Å; G1703-H1839 PolarHBondContact O-CD2 2.95Å; G1703-H1839 VanDerWaalsContact O-CD2 3.26Å; L1704-H1839 HydrophobicContact CD2-CB 3.91Å; L1704-H1839 HydrophobicContact CG-CB 4.37Å; E1824-H1839 PolarHBondContact O-ND1 2.7Å; E1824-H1839 IonicContact OE2-CE1 3.27Å; E1824-H1839 IonicContact OE2-NE2 3.4Å; E1824-H1839 PolarHBondContact OE2-NE2 2.96Å; E1824-H1839 VanDerWaalsContact OE2-NE2 3.16Å; H1839-R1841 VanDerWaalsContact C-N 3.26Å; H1839-R1841 PolarHBondContact ND1-N 2.98Å; H1839-R1841 VanDerWaalsContact ND1-N 3.15Å; H1839-R1841 PolarHBondContact O-N 2.98Å; H1839-R1841 VanDerWaalsContact O-N 3.08Å; H1839-I1842 HydrophobicContact CB-CB 4.08Å; H1839-I1842 WeakPolarHBondContact CB-O 3.14Å; H1839-I1842 WeakPolarHBondContact ND1-CB 3.41Å; H1839-I1842 WeakPolarHBondContact ND1-CG1 3.25Å; H1839-I1842 PolarHBondContact ND1-N 3.17Å; H1839-I1842 VanDerWaalsContact ND1-N 3.14Å; H1839-I1842 PolarHBondContact O-N 3.44Å |
| 1840 | S | 84.8 | Confident | 86.7 | Confident | 68.2 Ų | 68.2 | 63.4 Ų | 63.4 | 48% | 0.477 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -57.8 | -36.9 | -176.2 | 56.2 | 0 | 0 | 0 | 0 | 114 | E1824 | E1824-S1840 VanDerWaalsContact O-CB 3.28Å; E1824-S1840 WeakPolarHBondContact O-CB 3.33Å; E1824-S1840 PolarHBondContact O-N 3.33Å; E1824-S1840 PolarHBondContact O-OG 3.06Å |
| 1841 | R | 84.6 | Confident | 86.8 | Confident | 203.4 Ų | 203.4 | 60.3 Ų | 60.3 | 77% | 0.768 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -110 | -27.8 | -177.9 | -60.2 | -177.8 | -160.7 | 174.9 | 3.8 | 115.1 | E1824 H1839 K1843 | E1824-R1841 IonicContact OE1-CZ 3.44Å; E1824-R1841 IonicContact OE1-NE 2.69Å; E1824-R1841 IonicContact OE1-NH1 3.3Å; E1824-R1841 PolarHBondContact OE1-NH1 2.81Å; E1824-R1841 IonicContact OE1-NH2 3.2Å; E1824-R1841 PolarHBondContact OE1-NH2 3.13Å; E1824-R1841 VanDerWaalsContact OE2-CD 3.28Å; E1824-R1841 WeakPolarHBondContact OE2-CD 3.48Å; E1824-R1841 IonicContact OE2-CZ 2.72Å; E1824-R1841 IonicContact OE2-NE 2.66Å; E1824-R1841 PolarHBondContact OE2-NE 2.71Å; E1824-R1841 IonicContact OE2-NH1 2.91Å; E1824-R1841 PolarHBondContact OE2-NH1 2.79Å; E1824-R1841 IonicContact OE2-NH2 2.71Å; H1839-R1841 VanDerWaalsContact C-N 3.26Å; H1839-R1841 PolarHBondContact ND1-N 2.98Å; H1839-R1841 VanDerWaalsContact ND1-N 3.15Å; H1839-R1841 PolarHBondContact O-N 2.98Å; H1839-R1841 VanDerWaalsContact O-N 3.08Å; R1841-K1843 PolarHBondContact O-N 2.74Å |
| 1842 | I | 84.4 | Confident | 86.6 | Confident | 86 Ų | 86 | 66.9 Ų | 66.9 | 44% | 0.441 | 33% | 0.328 | S | S | . | . | trans | -103.9 | 114.5 | -170.3 | -59 | 172.8 | 0 | 0 | 0 | 108.3 | H1839 | H1839-I1842 HydrophobicContact CB-CB 4.08Å; H1839-I1842 WeakPolarHBondContact CB-O 3.14Å; H1839-I1842 WeakPolarHBondContact ND1-CB 3.41Å; H1839-I1842 WeakPolarHBondContact ND1-CG1 3.25Å; H1839-I1842 PolarHBondContact ND1-N 3.17Å; H1839-I1842 VanDerWaalsContact ND1-N 3.14Å; H1839-I1842 PolarHBondContact O-N 3.44Å | ||
| 1843 | K | 84.3 | Confident | 86.3 | Confident | 144.6 Ų | 144.6 | 64.8 Ų | 64.8 | 63% | 0.629 | 32% | 0.324 | S | S | * | . | trans | -72.9 | 139.6 | 173.9 | -67.4 | -174.2 | 178.6 | -176 | 0 | 109.8 | D1310 R1841 K1845 | D1310-K1843 IonicContact OD1-NZ 2.74Å; D1310-K1843 PolarHBondContact OD1-NZ 2.92Å; D1310-K1843 IonicContact OD2-NZ 3.14Å; D1310-K1843 PolarHBondContact OD2-NZ 3.13Å; R1841-K1843 PolarHBondContact O-N 2.74Å; K1843-K1845 PolarHBondContact O-N 2.99Å | ||
| 1844 | P | 86.7 | Confident | 86 | Confident | 30.8 Ų | 30.8 | 60.5 Ų | 60.5 | 20% | 0.2 | 31% | 0.31 | C | S | . | . | trans | -63.2 | 147.4 | 172.8 | 27.9 | -34.4 | 0 | 0 | 0 | 110 | P1309 L1340 M1341 Y1700 T1701 | P1309-P1844 WeakPolarHBondContact CD-O 3.11Å; P1309-P1844 HydrophobicContact CG-CG 3.72Å; L1340-P1844 HydrophobicContact CB-CB 4.46Å; L1340-P1844 HydrophobicContact CB-CG 4.18Å; L1340-P1844 WeakPolarHBondContact O-CB 3.39Å; L1340-P1844 WeakPolarHBondContact O-CG 3.4Å; M1341-P1844 HydrophobicContact CG-CG 4.43Å; Y1700-P1844 HydrophobicContact CE2-CB 4.21Å; T1701-P1844 CarbonylContact O-C 3.54Å; T1701-P1844 VanDerWaalsContact O-CA 3.24Å; T1701-P1844 WeakPolarHBondContact O-CA 3.32Å; T1701-P1844 WeakPolarHBondContact O-CB 3.21Å | ||
| 1845 | K | 87.3 | Confident | 85.7 | Confident | 108 Ų | 108 | 59.7 Ų | 59.7 | 47% | 0.47 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 145.5 | 178.3 | 58.3 | 175.8 | -178.7 | 178.4 | 0 | 110.7 | T1306 L1307 Y1700 T1701 K1843 | T1306-K1845 HydrophobicContact CG2-CB 4.01Å; T1306-K1845 HydrophobicContact CG2-CD 4.5Å; L1307-K1845 WeakPolarHBondContact O-CA 3.41Å; Y1700-K1845 WeakPolarHBondContact CA-O 3.4Å; T1701-K1845 PolarHBondContact N-O 3.39Å; T1701-K1845 PolarHBondContact O-N 2.81Å; T1701-K1845 VanDerWaalsContact OG1-CE 3.23Å; T1701-K1845 WeakPolarHBondContact OG1-CE 3.38Å; T1701-K1845 WeakPolarHBondContact OG1-CG 3.22Å; K1843-K1845 PolarHBondContact O-N 2.99Å |
| 1846 | L | 89.4 | Confident | 85.4 | Confident | 20.4 Ų | 20.4 | 60.5 Ų | 60.5 | 11% | 0.107 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 112.2 | 175.1 | -173.8 | 78.9 | 0 | 0 | 0 | 108.6 | T1306 L1307 L1338 L1340 Y1628 L1650 I1698 Q1699 Y1700 F1848 | T1306-L1846 CarbonylContact C-O 3.59Å; T1306-L1846 WeakPolarHBondContact CA-O 3.47Å; L1307-L1846 PolarHBondContact N-O 2.93Å; L1307-L1846 PolarHBondContact O-N 2.97Å; L1338-L1846 HydrophobicContact CD1-CD2 3.66Å; L1340-L1846 HydrophobicContact CD2-CB 3.52Å; L1340-L1846 VanDerWaalsContact CD2-CB 3.48Å; L1340-L1846 HydrophobicContact CD2-CD2 3.8Å; L1340-L1846 HydrophobicContact CD2-CG 4.26Å; Y1628-L1846 HydrophobicContact CD1-CD1 3.86Å; Y1628-L1846 HydrophobicContact CD1-CD2 3.93Å; Y1628-L1846 HydrophobicContact CD1-CG 4.43Å; Y1628-L1846 HydrophobicContact CD2-CD1 4.16Å; Y1628-L1846 HydrophobicContact CD2-CD2 4.07Å; Y1628-L1846 HydrophobicContact CE1-CD1 3.9Å; Y1628-L1846 HydrophobicContact CE2-CD2 4.46Å; Y1628-L1846 HydrophobicContact CG-CD2 4.28Å; L1650-L1846 HydrophobicContact CD2-CD1 4.31Å; I1698-L1846 HydrophobicContact CG2-CD1 3.57Å; I1698-L1846 HydrophobicContact CG2-CG 4.35Å; Q1699-L1846 CarbonylContact O-C 3.56Å; Q1699-L1846 WeakPolarHBondContact O-CA 3.35Å; Y1700-L1846 HydrophobicContact CD2-CD1 4.39Å; L1846-F1848 HydrophobicContact CD1-CZ 4.49Å; L1846-F1848 HydrophobicContact CD2-CD1 4.04Å; L1846-F1848 HydrophobicContact CD2-CD2 4.21Å; L1846-F1848 HydrophobicContact CD2-CE1 4.1Å; L1846-F1848 HydrophobicContact CD2-CE2 3.97Å; L1846-F1848 HydrophobicContact CD2-CG 4.45Å; L1846-F1848 HydrophobicContact CD2-CZ 3.38Å; L1846-F1848 VanDerWaalsContact CD2-CZ 3.46Å; L1846-F1848 HydrophobicContact CG-CE1 4.39Å; L1846-F1848 HydrophobicContact CG-CE2 4.02Å; L1846-F1848 HydrophobicContact CG-CZ 3.71Å |
| 1847 | S | 89.5 | Confident | 85.1 | Confident | 23.8 Ų | 23.8 | 60.4 Ų | 60.4 | 17% | 0.166 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 132.1 | 179.5 | 17.4 | 0 | 0 | 0 | 0 | 110.9 | V1305 T1306 I1698 Q1699 | V1305-S1847 CarbonylContact O-C 3.54Å; V1305-S1847 VanDerWaalsContact O-CA 3.31Å; V1305-S1847 WeakPolarHBondContact O-CA 3.4Å; T1306-S1847 WeakPolarHBondContact CG2-OG 3.49Å; T1306-S1847 WeakPolarHBondContact OG1-CB 3.4Å; T1306-S1847 PolarHBondContact OG1-OG 2.9Å; I1698-S1847 CarbonylContact C-O 3.46Å; I1698-S1847 WeakPolarHBondContact CA-O 3.37Å; Q1699-S1847 WeakPolarHBondContact CB-OG 3.36Å; Q1699-S1847 PolarHBondContact N-O 3.21Å; Q1699-S1847 PolarHBondContact O-N 3.02Å; Q1699-S1847 PolarHBondContact O-OG 2.96Å; Q1699-S1847 PolarHBondContact OE1-OG 3.14Å |
| 1848 | F | 90.4 | Very high | 84.7 | Confident | 47.8 Ų | 47.8 | 61.3 Ų | 61.3 | 21% | 0.21 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 132.2 | 171.6 | -53.6 | -84.8 | 0 | 0 | 0 | 108.1 | T1304 V1305 L1307 I1323 L1333 F1335 L1630 L1696 N1697 I1698 L1846 | T1304-F1848 CarbonylContact C-O 3.5Å; T1304-F1848 VanDerWaalsContact CA-O 3.26Å; T1304-F1848 WeakPolarHBondContact CA-O 3.42Å; V1305-F1848 PolarHBondContact N-O 3.17Å; V1305-F1848 WeakPolarHBondContact O-CD2 3.45Å; V1305-F1848 PolarHBondContact O-N 2.81Å; L1307-F1848 HydrophobicContact CD1-CE2 3.76Å; L1307-F1848 HydrophobicContact CD1-CZ 4.43Å; L1307-F1848 HydrophobicContact CG-CE2 4.09Å; I1323-F1848 HydrophobicContact CD1-CB 3.83Å; L1333-F1848 HydrophobicContact CD1-CB 4.18Å; L1333-F1848 HydrophobicContact CD1-CD1 3.57Å; L1333-F1848 HydrophobicContact CD1-CD2 4.13Å; L1333-F1848 HydrophobicContact CD1-CE1 3.99Å; L1333-F1848 HydrophobicContact CD1-CE2 4.43Å; L1333-F1848 HydrophobicContact CD1-CG 3.66Å; L1333-F1848 HydrophobicContact CD1-CZ 4.39Å; F1335-F1848 HydrophobicContact CE1-CE1 4.13Å; F1335-F1848 HydrophobicContact CE1-CE2 4.39Å; F1335-F1848 AromaticContact CE1-CZ 3.56Å; F1335-F1848 HydrophobicContact CE1-CZ 3.56Å; F1335-F1848 AromaticContact CZ-CE1 3.89Å; F1335-F1848 HydrophobicContact CZ-CE1 3.98Å; F1335-F1848 AromaticContact CZ-CE2 3.83Å; F1335-F1848 HydrophobicContact CZ-CE2 3.83Å; F1335-F1848 AromaticContact CZ-CZ 3.36Å; F1335-F1848 HydrophobicContact CZ-CZ 3.36Å; L1630-F1848 HydrophobicContact CD1-CE1 4.13Å; L1630-F1848 HydrophobicContact CD2-CE1 3.75Å; L1630-F1848 HydrophobicContact CD2-CZ 4.32Å; L1696-F1848 HydrophobicContact CD1-CB 4.32Å; L1696-F1848 HydrophobicContact CD1-CD1 4.36Å; N1697-F1848 CarbonylContact O-C 3.55Å; N1697-F1848 WeakPolarHBondContact O-CA 3.36Å; I1698-F1848 HydrophobicContact CB-CD1 4.43Å; I1698-F1848 HydrophobicContact CD1-CD1 4.11Å; I1698-F1848 HydrophobicContact CD1-CE1 4.02Å; I1698-F1848 HydrophobicContact CG1-CD1 3.94Å; I1698-F1848 HydrophobicContact CG1-CE1 4.25Å; I1698-F1848 HydrophobicContact CG2-CD1 4.03Å; I1698-F1848 HydrophobicContact CG2-CE1 3.95Å; I1698-F1848 HydrophobicContact CG2-CZ 4.47Å; L1846-F1848 HydrophobicContact CD1-CZ 4.49Å; L1846-F1848 HydrophobicContact CD2-CD1 4.04Å; L1846-F1848 HydrophobicContact CD2-CD2 4.21Å; L1846-F1848 HydrophobicContact CD2-CE1 4.1Å; L1846-F1848 HydrophobicContact CD2-CE2 3.97Å; L1846-F1848 HydrophobicContact CD2-CG 4.45Å; L1846-F1848 HydrophobicContact CD2-CZ 3.38Å; L1846-F1848 VanDerWaalsContact CD2-CZ 3.46Å; L1846-F1848 HydrophobicContact CG-CE1 4.39Å; L1846-F1848 HydrophobicContact CG-CE2 4.02Å; L1846-F1848 HydrophobicContact CG-CZ 3.71Å |
| 1849 | S | 88.9 | Confident | 84.2 | Confident | 38 Ų | 38 | 59.9 Ų | 59.9 | 27% | 0.266 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 139.8 | 177.2 | 54.9 | 0 | 0 | 0 | 0 | 111 | A1303 N1697 | A1303-S1849 WeakPolarHBondContact O-CA 3.43Å; N1697-S1849 VanDerWaalsContact CB-OG 3.23Å; N1697-S1849 WeakPolarHBondContact CB-OG 3.37Å; N1697-S1849 PolarHBondContact N-O 3.13Å; N1697-S1849 PolarHBondContact ND2-OG 3.3Å; N1697-S1849 VanDerWaalsContact ND2-OG 3.1Å; N1697-S1849 PolarHBondContact O-N 3.18Å; N1697-S1849 PolarHBondContact O-OG 3.13Å |
| 1850 | L | 86.6 | Confident | 83.7 | Confident | 46.4 Ų | 46.4 | 59.7 Ų | 59.7 | 24% | 0.243 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 105.2 | 174.1 | -63.4 | 171.2 | 0 | 0 | 0 | 107.3 | A1303 I1323 R1325 V1331 L1695 L1696 | A1303-L1850 PolarHBondContact N-O 3.15Å; A1303-L1850 PolarHBondContact O-N 2.92Å; I1323-L1850 HydrophobicContact CB-CD1 3.97Å; I1323-L1850 HydrophobicContact CG2-CD1 3.55Å; I1323-L1850 HydrophobicContact CG2-CG 4.16Å; R1325-L1850 PolarHBondContact NH1-O 2.76Å; V1331-L1850 HydrophobicContact CB-CD1 3.98Å; V1331-L1850 HydrophobicContact CG2-CD1 3.46Å; V1331-L1850 VanDerWaalsContact CG2-CD1 3.42Å; V1331-L1850 HydrophobicContact CG2-CD2 3.94Å; V1331-L1850 HydrophobicContact CG2-CG 4.37Å; L1695-L1850 HydrophobicContact CD1-CD2 4.34Å; L1695-L1850 HydrophobicContact CD2-CD2 4.41Å; L1695-L1850 HydrophobicContact CG-CD2 4.13Å; L1696-L1850 HydrophobicContact CB-CD2 4.49Å; L1696-L1850 HydrophobicContact CD1-CD2 4.05Å |
| 1851 | P | 84.9 | Confident | 83.6 | Confident | 28.2 Ų | 28.2 | 57.3 Ų | 57.3 | 18% | 0.183 | 30% | 0.296 | C | S | . | . | trans | -66.2 | 145.2 | -179 | 9.7 | -7.4 | 0 | 0 | 0 | 110.8 | R1325 L1695 S1853 S1854 | R1325-P1851 PolarHBondContact NH1-O 3.22Å; R1325-P1851 PolarHBondContact NH2-O 2.76Å; L1695-P1851 VanDerWaalsContact O-CD 3.24Å; L1695-P1851 WeakPolarHBondContact O-CD 3.42Å; P1851-S1853 VanDerWaalsContact C-N 3.27Å; P1851-S1853 PolarHBondContact O-N 3.13Å; P1851-S1854 WeakPolarHBondContact CB-OG 3.14Å; P1851-S1854 WeakPolarHBondContact CD-OG 3.34Å; P1851-S1854 WeakPolarHBondContact CG-OG 3.41Å; P1851-S1854 PolarHBondContact O-N 3.31Å; P1851-S1854 PolarHBondContact O-OG 2.95Å | ||
| 1852 | K | 80 | Confident | 83.4 | Confident | 158.2 Ų | 158.2 | 56.1 Ų | 56.1 | 69% | 0.688 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -22.6 | 176 | -133.5 | 179.1 | 179.6 | 177.3 | 0 | 113.2 | R1297 V1300 E1302 | R1297-K1852 PolarHBondContact NH2-O 3.23Å; R1297-K1852 VanDerWaalsContact NH2-O 3.1Å; V1300-K1852 HydrophobicContact CB-CG 4.44Å; V1300-K1852 HydrophobicContact CG1-CB 4.34Å; V1300-K1852 HydrophobicContact CG1-CG 4Å; V1300-K1852 WeakPolarHBondContact O-CD 3.42Å; V1300-K1852 VanDerWaalsContact O-CE 3.24Å; V1300-K1852 WeakPolarHBondContact O-CE 3.4Å; V1300-K1852 PolarHBondContact O-NZ 2.85Å; E1302-K1852 HydrophobicContact CB-CB 4.33Å |
| 1853 | S | 78.7 | Confident | 83.5 | Confident | 96.4 Ų | 96.4 | 55.6 Ų | 55.6 | 67% | 0.674 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -20.9 | -177.1 | 53.1 | 0 | 0 | 0 | 0 | 113.6 | R1297 P1851 | R1297-S1853 PolarHBondContact NH2-O 3.1Å; P1851-S1853 VanDerWaalsContact C-N 3.27Å; P1851-S1853 PolarHBondContact O-N 3.13Å |
| 1854 | S | 79.8 | Confident | 83.7 | Confident | 18 Ų | 18 | 48.8 Ų | 48.8 | 13% | 0.126 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -77.7 | 145.5 | 179.8 | 59.1 | 0 | 0 | 0 | 0 | 111.9 | R1297 R1325 G1694 L1695 P1851 L1856 | R1297-S1854 PolarHBondContact NH1-O 3.18Å; R1297-S1854 PolarHBondContact NH2-O 2.94Å; R1325-S1854 PolarHBondContact NH2-O 3.16Å; R1325-S1854 PolarHBondContact NH2-OG 3.07Å; G1694-S1854 WeakPolarHBondContact O-CB 3.34Å; G1694-S1854 PolarHBondContact O-OG 3.46Å; L1695-S1854 WeakPolarHBondContact CD1-OG 3.37Å; P1851-S1854 WeakPolarHBondContact CB-OG 3.14Å; P1851-S1854 WeakPolarHBondContact CD-OG 3.34Å; P1851-S1854 WeakPolarHBondContact CG-OG 3.41Å; P1851-S1854 PolarHBondContact O-N 3.31Å; P1851-S1854 PolarHBondContact O-OG 2.95Å; S1854-L1856 PolarHBondContact O-N 3.02Å |
| 1855 | S | 79.4 | Confident | 83.8 | Confident | 27.8 Ų | 27.8 | 48.4 Ų | 48.4 | 19% | 0.194 | 26% | 0.264 | C | S | . | . | trans | -79.5 | 126.2 | 172.8 | -177.1 | 0 | 0 | 0 | 0 | 110.5 | L1857 G1858 A1859 D2018 | S1855-L1857 VanDerWaalsContact C-N 3.32Å; S1855-L1857 PolarHBondContact OG-N 2.96Å; S1855-G1858 PolarHBondContact O-N 3.2Å; S1855-G1858 PolarHBondContact OG-N 3.01Å; S1855-G1858 VanDerWaalsContact OG-N 3.14Å; S1855-A1859 PolarHBondContact O-N 3.11Å; S1855-D2018 WeakPolarHBondContact CB-OD2 3.32Å; S1855-D2018 VanDerWaalsContact OG-CG 3.25Å; S1855-D2018 PolarHBondContact OG-OD2 3.21Å | ||
| 1856 | L | 82.4 | Confident | 83.8 | Confident | 32.6 Ų | 32.6 | 43.4 Ų | 43.4 | 17% | 0.171 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -38.3 | 171.7 | -176.1 | 136.4 | 0 | 0 | 0 | 111 | E1295 Y1329 V1331 L1634 L1641 L1695 S1854 G1858 A1859 V1860 | E1295-L1856 VanDerWaalsContact OE2-CB 3.28Å; E1295-L1856 WeakPolarHBondContact OE2-CB 3.32Å; E1295-L1856 PolarHBondContact OE2-N 3.1Å; Y1329-L1856 HydrophobicContact CD1-CD1 4.31Å; Y1329-L1856 HydrophobicContact CD1-CD2 3.5Å; Y1329-L1856 VanDerWaalsContact CD1-CD2 3.44Å; Y1329-L1856 HydrophobicContact CE1-CD2 3.98Å; Y1329-L1856 HydrophobicContact CG-CD1 4.15Å; Y1329-L1856 HydrophobicContact CG-CD2 4.02Å; V1331-L1856 HydrophobicContact CG2-CD1 4.36Å; L1634-L1856 HydrophobicContact CD1-CD2 4.18Å; L1634-L1856 HydrophobicContact CD1-CG 4.26Å; L1634-L1856 HydrophobicContact CD2-CD1 4.03Å; L1634-L1856 HydrophobicContact CD2-CD2 4.3Å; L1634-L1856 HydrophobicContact CD2-CG 4.1Å; L1641-L1856 HydrophobicContact CD1-CD2 3.8Å; L1695-L1856 HydrophobicContact CD1-CB 4.29Å; L1695-L1856 HydrophobicContact CD2-CB 4.37Å; L1695-L1856 HydrophobicContact CD2-CD1 4.39Å; L1695-L1856 HydrophobicContact CD2-CG 4Å; S1854-L1856 PolarHBondContact O-N 3.02Å; L1856-G1858 VanDerWaalsContact C-N 3.29Å; L1856-G1858 PolarHBondContact O-N 3.08Å; L1856-A1859 VanDerWaalsContact O-CB 3.32Å; L1856-A1859 WeakPolarHBondContact O-CB 3.34Å; L1856-A1859 PolarHBondContact O-N 3.36Å; L1856-V1860 WeakPolarHBondContact O-CG2 3.42Å |
| 1857 | L | 81.6 | Confident | 83.5 | Confident | 14.8 Ų | 14.8 | 44.6 Ų | 44.6 | 8% | 0.077 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -70.3 | -36.2 | 178.3 | -66.8 | 177 | 0 | 0 | 0 | 111.6 | W1293 E1295 Y1329 S1855 A1859 V1860 F1861 L1935 D2018 F2022 | W1293-L1857 HydrophobicContact CB-CD1 4.34Å; W1293-L1857 HydrophobicContact CB-CD2 4.01Å; W1293-L1857 HydrophobicContact CE3-CD2 4.22Å; E1295-L1857 HydrophobicContact CB-CD1 4.31Å; E1295-L1857 HydrophobicContact CB-CG 4.38Å; Y1329-L1857 HydrophobicContact CE1-CD2 4.07Å; S1855-L1857 VanDerWaalsContact C-N 3.32Å; S1855-L1857 PolarHBondContact OG-N 2.96Å; L1857-A1859 PolarHBondContact O-N 3.21Å; L1857-A1859 VanDerWaalsContact O-N 3.17Å; L1857-V1860 PolarHBondContact O-N 3.11Å; L1857-F1861 HydrophobicContact CB-CD2 4.18Å; L1857-F1861 HydrophobicContact CD2-CD2 4.22Å; L1857-F1861 HydrophobicContact CD2-CE2 4.16Å; L1857-F1861 WeakPolarHBondContact O-CB 3.48Å; L1857-F1861 PolarHBondContact O-N 2.96Å; L1857-L1935 HydrophobicContact CB-CD1 3.7Å; L1857-L1935 HydrophobicContact CB-CD2 4.3Å; L1857-L1935 HydrophobicContact CD1-CD1 4.39Å; L1857-L1935 HydrophobicContact CG-CD1 4.48Å; L1857-D2018 HydrophobicContact CB-CB 4.38Å; L1857-D2018 HydrophobicContact CD1-CB 4.01Å; L1857-D2018 VanDerWaalsContact CD1-O 3.28Å; L1857-D2018 WeakPolarHBondContact CD1-O 3.21Å; L1857-F2022 HydrophobicContact CD2-CE1 4.46Å; L1857-F2022 HydrophobicContact CD2-CE2 4.36Å; L1857-F2022 HydrophobicContact CD2-CZ 3.76Å |
| 1858 | G | 79.4 | Confident | 83 | Confident | 36 Ų | 36 | 48.3 Ų | 48.3 | 37% | 0.371 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -64.7 | -14.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115 | S1855 L1856 V1860 L1935 | S1855-G1858 PolarHBondContact O-N 3.2Å; S1855-G1858 PolarHBondContact OG-N 3.01Å; S1855-G1858 VanDerWaalsContact OG-N 3.14Å; L1856-G1858 VanDerWaalsContact C-N 3.29Å; L1856-G1858 PolarHBondContact O-N 3.08Å; G1858-V1860 VanDerWaalsContact C-N 3.33Å; G1858-L1935 VanDerWaalsContact CA-CD2 3.46Å |
| 1859 | A | 77.1 | Confident | 82.2 | Confident | 3.8 Ų | 3.8 | 48 Ų | 48 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -82 | -14.1 | 171 | 0 | 0 | 0 | 0 | 0 | 113.3 | W1632 R1693 L1695 S1855 L1856 L1857 | W1632-A1859 HydrophobicContact CH2-CB 4.45Å; R1693-A1859 HydrophobicContact CB-CB 4.15Å; R1693-A1859 WeakPolarHBondContact CD-O 3.24Å; R1693-A1859 PolarHBondContact NH1-O 3.24Å; L1695-A1859 HydrophobicContact CB-CB 3.77Å; L1695-A1859 HydrophobicContact CD1-CB 4.41Å; L1695-A1859 HydrophobicContact CD2-CB 3.78Å; L1695-A1859 HydrophobicContact CG-CB 4.36Å; S1855-A1859 PolarHBondContact O-N 3.11Å; L1856-A1859 VanDerWaalsContact O-CB 3.32Å; L1856-A1859 WeakPolarHBondContact O-CB 3.34Å; L1856-A1859 PolarHBondContact O-N 3.36Å; L1857-A1859 PolarHBondContact O-N 3.21Å; L1857-A1859 VanDerWaalsContact O-N 3.17Å |
| 1860 | V | 77.7 | Confident | 81.5 | Confident | 21 Ų | 21 | 53.2 Ų | 53.2 | 13% | 0.127 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | -45.3 | -176.9 | -176 | 0 | 0 | 0 | 0 | 111.3 | W1293 L1634 T1642 F1646 L1856 L1857 G1858 | W1293-V1860 HydrophobicContact CZ3-CG1 4.4Å; L1634-V1860 HydrophobicContact CD1-CG2 3.23Å; T1642-V1860 HydrophobicContact CG2-CG1 3.85Å; F1646-V1860 HydrophobicContact CE2-CG2 4.45Å; L1856-V1860 WeakPolarHBondContact O-CG2 3.42Å; L1857-V1860 PolarHBondContact O-N 3.11Å; G1858-V1860 VanDerWaalsContact C-N 3.33Å |
| 1861 | F | 81.9 | Confident | 81.2 | Confident | 16.4 Ų | 16.4 | 57.5 Ų | 57.5 | 7% | 0.072 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -108.7 | 141.8 | -173.5 | -57.7 | -60.5 | 0 | 0 | 0 | 111 | W1293 T1642 L1857 P1933 L1935 F2022 | W1293-F1861 HydrophobicContact CB-CE2 4.47Å; W1293-F1861 HydrophobicContact CD2-CE2 4.24Å; W1293-F1861 AromaticContact CD2-CZ 3.97Å; W1293-F1861 HydrophobicContact CD2-CZ 4.1Å; W1293-F1861 HydrophobicContact CE3-CE1 4.43Å; W1293-F1861 AromaticContact CE3-CE2 3.42Å; W1293-F1861 HydrophobicContact CE3-CE2 3.42Å; W1293-F1861 AromaticContact CE3-CZ 3.28Å; W1293-F1861 HydrophobicContact CE3-CZ 3.28Å; W1293-F1861 HydrophobicContact CH2-CZ 4.2Å; W1293-F1861 HydrophobicContact CZ3-CE1 4.18Å; W1293-F1861 AromaticContact CZ3-CE2 3.9Å; W1293-F1861 HydrophobicContact CZ3-CE2 3.9Å; W1293-F1861 AromaticContact CZ3-CZ 3.34Å; W1293-F1861 HydrophobicContact CZ3-CZ 3.34Å; T1642-F1861 HydrophobicContact CG2-CE1 4.2Å; T1642-F1861 HydrophobicContact CG2-CZ 4.24Å; L1857-F1861 HydrophobicContact CB-CD2 4.18Å; L1857-F1861 HydrophobicContact CD2-CD2 4.22Å; L1857-F1861 HydrophobicContact CD2-CE2 4.16Å; L1857-F1861 WeakPolarHBondContact O-CB 3.48Å; L1857-F1861 PolarHBondContact O-N 2.96Å; F1861-P1933 HydrophobicContact CD1-CB 3.77Å; F1861-P1933 HydrophobicContact CD1-CG 4.06Å; F1861-P1933 HydrophobicContact CE1-CB 3.87Å; F1861-P1933 HydrophobicContact CE1-CG 4.25Å; F1861-L1935 HydrophobicContact CB-CB 4.09Å; F1861-F2022 HydrophobicContact CD1-CE1 4.02Å; F1861-F2022 AromaticContact CD2-CE1 3.69Å; F1861-F2022 HydrophobicContact CD2-CE1 4.02Å; F1861-F2022 AromaticContact CD2-CZ 3.99Å; F1861-F2022 HydrophobicContact CD2-CZ 3.99Å; F1861-F2022 HydrophobicContact CE1-CB 3.96Å; F1861-F2022 HydrophobicContact CE1-CD1 4.36Å; F1861-F2022 AromaticContact CE1-CE1 3.74Å; F1861-F2022 HydrophobicContact CE1-CE1 4.01Å; F1861-F2022 HydrophobicContact CE1-CG 4.44Å; F1861-F2022 HydrophobicContact CE2-CD1 4.38Å; F1861-F2022 AromaticContact CE2-CE1 3.41Å; F1861-F2022 HydrophobicContact CE2-CE1 3.41Å; F1861-F2022 VanDerWaalsContact CE2-CE1 3.44Å; F1861-F2022 AromaticContact CE2-CZ 3.69Å; F1861-F2022 HydrophobicContact CE2-CZ 3.91Å; F1861-F2022 HydrophobicContact CG-CE1 4Å; F1861-F2022 HydrophobicContact CZ-CB 4.1Å; F1861-F2022 AromaticContact CZ-CD1 3.89Å; F1861-F2022 HydrophobicContact CZ-CD1 4.09Å; F1861-F2022 AromaticContact CZ-CE1 3.41Å; F1861-F2022 HydrophobicContact CZ-CE1 3.41Å; F1861-F2022 VanDerWaalsContact CZ-CE1 3.41Å; F1861-F2022 HydrophobicContact CZ-CG 4.36Å; F1861-F2022 HydrophobicContact CZ-CZ 4.31Å |
| 1862 | Y | 81.6 | Confident | 81.3 | Confident | 179.4 Ų | 179.4 | 57.2 Ų | 57.2 | 70% | 0.704 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 148 | 171.6 | -66.2 | -80.3 | 0 | 0 | 0 | 109.9 | A1864 G1934 L1935 | Y1862-A1864 PolarHBondContact O-N 3.33Å; Y1862-G1934 CarbonylContact O-C 3.53Å; Y1862-G1934 WeakPolarHBondContact O-CA 3.48Å; Y1862-L1935 WeakPolarHBondContact O-CB 3.27Å; Y1862-L1935 PolarHBondContact O-N 3.12Å |
| 1863 | P | 85.9 | Confident | 81.5 | Confident | 75.6 Ų | 75.6 | 57.2 Ų | 57.2 | 49% | 0.491 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 136.8 | 172.7 | 18.4 | -22.4 | 0 | 0 | 0 | 109.7 | Q1931 L1935 A2053 | P1863-Q1931 PolarHBondContact O-NE2 2.04Å; P1863-L1935 CarbonylContact C-O 3.59Å; P1863-L1935 VanDerWaalsContact CA-O 3.26Å; P1863-L1935 WeakPolarHBondContact CA-O 3.23Å; P1863-A2053 HydrophobicContact CB-CB 3.87Å; P1863-A2053 HydrophobicContact CG-CB 4.22Å; P1863-A2053 WeakPolarHBondContact O-CB 3.34Å |
| 1864 | A | 87.5 | Confident | 82 | Confident | 1.8 Ų | 1.8 | 53.4 Ų | 53.4 | 2% | 0.015 | 27% | 0.269 | C | S | . | . | trans | -122.3 | 155.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y1862 V1929 D1930 Q1931 G1934 L1935 D2052 A2053 | Y1862-A1864 PolarHBondContact O-N 3.33Å; A1864-V1929 HydrophobicContact CB-CB 4.31Å; A1864-V1929 HydrophobicContact CB-CG1 4.09Å; A1864-V1929 VanDerWaalsContact CB-CG1 3.4Å; A1864-D1930 WeakPolarHBondContact CB-OD1 3.49Å; A1864-Q1931 HydrophobicContact CB-CB 4.28Å; A1864-Q1931 HydrophobicContact CB-CG 3.71Å; A1864-Q1931 WeakPolarHBondContact CB-O 3.43Å; A1864-G1934 VanDerWaalsContact CB-CA 3.46Å; A1864-L1935 PolarHBondContact N-O 3.27Å; A1864-D2052 WeakPolarHBondContact O-CB 3.33Å; A1864-A2053 PolarHBondContact O-N 3.02Å; A1864-A2053 VanDerWaalsContact O-N 3.08Å | ||
| 1865 | S | 88.6 | Confident | 82.3 | Confident | 22.8 Ų | 22.8 | 55.4 Ų | 55.4 | 16% | 0.159 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -91.2 | 144.3 | 176.2 | -174.4 | 0 | 0 | 0 | 0 | 111 | V1929 D1930 D2052 S2054 | S1865-V1929 CarbonylContact O-C 3.52Å; S1865-V1929 WeakPolarHBondContact O-CA 3.31Å; S1865-V1929 VanDerWaalsContact O-CG1 3.26Å; S1865-V1929 WeakPolarHBondContact O-CG1 3.32Å; S1865-D1930 WeakPolarHBondContact CB-OD2 3.1Å; S1865-D1930 PolarHBondContact N-OD1 3.24Å; S1865-D1930 PolarHBondContact O-N 3.18Å; S1865-D1930 VanDerWaalsContact O-OD1 3.08Å; S1865-D1930 VanDerWaalsContact OG-CB 3.31Å; S1865-D1930 WeakPolarHBondContact OG-CB 3.3Å; S1865-D2052 VanDerWaalsContact CA-OD2 3.26Å; S1865-D2052 WeakPolarHBondContact CA-OD2 3.35Å; S1865-D2052 WeakPolarHBondContact CB-OD2 3.16Å; S1865-D2052 PolarHBondContact OG-OD2 3.36Å; S1865-S2054 PolarHBondContact OG-OG 3.03Å |
| 1866 | V | 87.5 | Confident | 82.7 | Confident | 2.6 Ų | 2.6 | 55 Ų | 55 | 2% | 0.016 | 28% | 0.279 | C | S | . | . | B | Isolated β-bridge | trans | -90.3 | 124.6 | 177.4 | 176.2 | 0 | 0 | 0 | 0 | 109.4 | R1868 L1872 Q1928 V1929 F1936 F2027 I2050 D2052 L2057 | V1866-R1868 PolarHBondContact O-N 2.96Å; V1866-R1868 VanDerWaalsContact O-N 3.16Å; V1866-L1872 HydrophobicContact CG1-CD1 3.92Å; V1866-L1872 HydrophobicContact CG1-CD2 4.29Å; V1866-L1872 HydrophobicContact CG1-CG 4.48Å; V1866-Q1928 CarbonylContact C-O 3.55Å; V1866-Q1928 WeakPolarHBondContact CA-O 3.41Å; V1866-V1929 HydrophobicContact CG2-CG1 4.37Å; V1866-F1936 HydrophobicContact CG2-CB 4.4Å; V1866-F1936 HydrophobicContact CG2-CD1 3.96Å; V1866-F1936 HydrophobicContact CG2-CE1 4.35Å; V1866-F1936 HydrophobicContact CG2-CG 4.1Å; V1866-F2027 HydrophobicContact CG1-CE1 4.03Å; V1866-F2027 HydrophobicContact CG1-CZ 4.01Å; V1866-F2027 HydrophobicContact CG2-CE1 4.27Å; V1866-F2027 HydrophobicContact CG2-CZ 4.39Å; V1866-I2050 HydrophobicContact CG2-CG2 4.08Å; V1866-D2052 HydrophobicContact CG2-CB 4.36Å; V1866-D2052 PolarHBondContact N-OD2 3.05Å; V1866-L2057 HydrophobicContact CB-CD1 3.96Å; V1866-L2057 HydrophobicContact CG1-CD1 4.29Å |
| 1867 | E | 84.7 | Confident | 82.7 | Confident | 45.8 Ų | 45.8 | 55.7 Ų | 55.7 | 21% | 0.214 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 119.4 | -179.7 | -69.9 | -177.6 | -158.8 | 0 | 0 | 110.8 | Y1871 Q1928 D1930 R2025 | E1867-Y1871 HydrophobicContact CB-CD2 4.4Å; E1867-Y1871 WeakPolarHBondContact OE2-CD2 3.29Å; E1867-Q1928 HydrophobicContact CB-CB 4.35Å; E1867-Q1928 VanDerWaalsContact CD-NE2 3.35Å; E1867-Q1928 HydrophobicContact CG-CB 4.39Å; E1867-Q1928 PolarHBondContact N-O 3.06Å; E1867-Q1928 WeakPolarHBondContact OE1-CG 3.47Å; E1867-Q1928 PolarHBondContact OE1-NE2 2.98Å; E1867-Q1928 VanDerWaalsContact OE1-NE2 3.1Å; E1867-Q1928 PolarHBondContact OE2-NE2 3.22Å; E1867-Q1928 VanDerWaalsContact OE2-NE2 3.12Å; E1867-D1930 HydrophobicContact CG-CB 4.37Å; E1867-R2025 IonicContact OE1-NH1 3.42Å |
| 1868 | R | 78.3 | Confident | 82.7 | Confident | 100.4 Ų | 100.4 | 56 Ų | 56 | 38% | 0.379 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 161.8 | -178.9 | -57.8 | 179.1 | -173.5 | -166.7 | 1.9 | 111.9 | V1866 D1987 N2055 L2057 | V1866-R1868 PolarHBondContact O-N 2.96Å; V1866-R1868 VanDerWaalsContact O-N 3.16Å; R1868-D1987 IonicContact CZ-OD1 3.39Å; R1868-D1987 VanDerWaalsContact CZ-OD1 3.28Å; R1868-D1987 IonicContact CZ-OD2 2.65Å; R1868-D1987 IonicContact NH1-OD1 3.32Å; R1868-D1987 PolarHBondContact NH1-OD1 3.24Å; R1868-D1987 IonicContact NH1-OD2 2.84Å; R1868-D1987 PolarHBondContact NH1-OD2 3.29Å; R1868-D1987 IonicContact NH2-OD1 3.47Å; R1868-D1987 PolarHBondContact NH2-OD1 2.8Å; R1868-N2055 VanDerWaalsContact NH2-CB 3.34Å; R1868-N2055 PolarHBondContact NH2-ND2 3.29Å; R1868-N2055 PolarHBondContact NH2-OD1 3.28Å; R1868-L2057 HydrophobicContact CG-CD2 4.21Å |
| 1869 | G | 74 | Confident | 82.6 | Confident | 43 Ų | 43 | 56 Ų | 56 | 44% | 0.443 | 29% | 0.287 | S | S | . | . | S | Bend | trans | 93.7 | -139.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y1871 L1872 R2731 | G1869-Y1871 PolarHBondContact O-N 3.16Å; G1869-Y1871 VanDerWaalsContact O-N 3.13Å; G1869-L1872 PolarHBondContact O-N 3.04Å; G1869-R2731 VanDerWaalsContact CA-NH2 3.34Å |
| 1870 | H | 73.5 | Confident | 82.5 | Confident | 146.8 Ų | 146.8 | 61.2 Ų | 61.2 | 68% | 0.68 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -17.7 | -169.1 | -66.7 | -40.4 | 0 | 0 | 0 | 115.6 | R1873 R2731 | H1870-R1873 PolarHBondContact O-NE 3.14Å; H1870-R1873 VanDerWaalsContact O-NE 3.1Å; H1870-R1873 PolarHBondContact O-NH2 2.72Å; H1870-R2731 PolarHBondContact CD2-NH1 3.32Å; H1870-R2731 PolarHBondContact NE2-NH1 3.42Å |
| 1871 | Y | 80.1 | Confident | 82.3 | Confident | 135.2 Ų | 135.2 | 61.1 Ų | 61.1 | 53% | 0.53 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -35.2 | -180 | -57.8 | -69 | 0 | 0 | 0 | 112.7 | E1867 G1869 R1873 T1926 G1927 Q1928 | E1867-Y1871 HydrophobicContact CB-CD2 4.4Å; E1867-Y1871 WeakPolarHBondContact OE2-CD2 3.29Å; G1869-Y1871 PolarHBondContact O-N 3.16Å; G1869-Y1871 VanDerWaalsContact O-N 3.13Å; Y1871-R1873 PolarHBondContact O-N 3.11Å; Y1871-T1926 CarbonylContact O-C 3.57Å; Y1871-T1926 VanDerWaalsContact O-O 3.05Å; Y1871-G1927 VanDerWaalsContact O-CA 3.27Å; Y1871-G1927 WeakPolarHBondContact O-CA 3.37Å; Y1871-Q1928 HydrophobicContact CG-CB 4.39Å |
| 1872 | L | 86.5 | Confident | 81.8 | Confident | 22.2 Ų | 22.2 | 61.4 Ų | 61.4 | 12% | 0.116 | 31% | 0.308 | C | S | . | . | trans | -88 | 113.2 | -180 | -173.6 | 62.5 | 0 | 0 | 0 | 109.9 | V1866 G1869 L1925 T1926 F2027 I2050 L2057 I2059 | V1866-L1872 HydrophobicContact CG1-CD1 3.92Å; V1866-L1872 HydrophobicContact CG1-CD2 4.29Å; V1866-L1872 HydrophobicContact CG1-CG 4.48Å; G1869-L1872 PolarHBondContact O-N 3.04Å; L1872-L1925 HydrophobicContact CD1-CD1 4.12Å; L1872-T1926 CarbonylContact C-O 3.59Å; L1872-T1926 VanDerWaalsContact CA-O 3.3Å; L1872-T1926 WeakPolarHBondContact CA-O 3.35Å; L1872-F2027 HydrophobicContact CD1-CZ 4.28Å; L1872-I2050 HydrophobicContact CD1-CD1 4.27Å; L1872-L2057 HydrophobicContact CD2-CD1 4.16Å; L1872-I2059 HydrophobicContact CD1-CD1 4.24Å; L1872-I2059 HydrophobicContact CD2-CD1 3.87Å; L1872-I2059 HydrophobicContact CG-CD1 4.1Å | ||
| 1873 | R | 85.6 | Confident | 81.1 | Confident | 158.6 Ų | 158.6 | 56.1 Ų | 56.1 | 60% | 0.598 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 136.5 | 179.4 | -56.7 | -178.8 | -176.5 | -168.2 | -4.1 | 110.2 | H1870 Y1871 L1925 T1926 | H1870-R1873 PolarHBondContact O-NE 3.14Å; H1870-R1873 VanDerWaalsContact O-NE 3.1Å; H1870-R1873 PolarHBondContact O-NH2 2.72Å; Y1871-R1873 PolarHBondContact O-N 3.11Å; R1873-L1925 CarbonylContact O-C 3.52Å; R1873-L1925 WeakPolarHBondContact O-CA 3.41Å; R1873-T1926 PolarHBondContact N-O 3.34Å; R1873-T1926 PolarHBondContact O-N 3Å; R1873-T1926 PolarHBondContact O-OG1 3.26Å |
| 1874 | A | 88.1 | Confident | 79.9 | Confident | 17.2 Ų | 17.2 | 55.2 Ų | 55.2 | 14% | 0.142 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 140.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | D1924 L1925 A1981 V1983 L2048 I2059 V2061 | A1874-D1924 CarbonylContact C-O 3.53Å; A1874-D1924 VanDerWaalsContact CA-O 3.3Å; A1874-D1924 WeakPolarHBondContact CA-O 3.34Å; A1874-L1925 HydrophobicContact CB-CD1 3.95Å; A1874-A1981 WeakPolarHBondContact O-CB 3.23Å; A1874-V1983 WeakPolarHBondContact O-CG2 3.11Å; A1874-L2048 HydrophobicContact CB-CD1 3.93Å; A1874-I2059 HydrophobicContact CB-CG2 3.83Å; A1874-V2061 HydrophobicContact CB-CG1 3.68Å; A1874-V2061 VanDerWaalsContact CB-CG1 3.44Å; A1874-V2061 HydrophobicContact CB-CG2 3.77Å |
| 1875 | S | 87.2 | Confident | 78.8 | Confident | 60.4 Ų | 60.4 | 60.1 Ų | 60.1 | 42% | 0.422 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 148.7 | 177 | 65.8 | 0 | 0 | 0 | 0 | 111 | I1923 D1924 | S1875-I1923 VanDerWaalsContact O-CA 3.29Å; S1875-I1923 WeakPolarHBondContact O-CA 3.39Å; S1875-D1924 PolarHBondContact N-O 3.11Å; S1875-D1924 PolarHBondContact O-N 3.16Å; S1875-D1924 VanDerWaalsContact O-N 3.11Å |
| 1876 | L | 86.9 | Confident | 77.4 | Confident | 18.6 Ų | 18.6 | 60.6 Ų | 60.6 | 10% | 0.097 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 115 | 179.1 | 176.2 | 64 | 0 | 0 | 0 | 110.2 | W1921 V1922 I1923 K2044 F2046 V2061 R2063 | L1876-W1921 HydrophobicContact CD1-CB 4.17Å; L1876-W1921 HydrophobicContact CD1-CE3 3.9Å; L1876-W1921 HydrophobicContact CD2-CE3 4.42Å; L1876-W1921 HydrophobicContact CD2-CZ3 4.46Å; L1876-W1921 HydrophobicContact CG-CE3 4.22Å; L1876-W1921 HydrophobicContact CG-CZ3 4.44Å; L1876-V1922 WeakPolarHBondContact CA-O 3.42Å; L1876-I1923 HydrophobicContact CD1-CG1 3.79Å; L1876-K2044 WeakPolarHBondContact CD2-O 3.45Å; L1876-F2046 HydrophobicContact CD1-CD2 3.81Å; L1876-F2046 HydrophobicContact CD1-CE2 3.87Å; L1876-F2046 HydrophobicContact CD2-CD2 3.91Å; L1876-F2046 HydrophobicContact CD2-CE2 4.27Å; L1876-F2046 HydrophobicContact CG-CD2 4.45Å; L1876-V2061 HydrophobicContact CB-CB 4.06Å; L1876-V2061 HydrophobicContact CB-CG1 3.54Å; L1876-V2061 HydrophobicContact CB-CG2 4.22Å; L1876-V2061 HydrophobicContact CD2-CG2 4.45Å; L1876-R2063 HydrophobicContact CD2-CB 3.93Å; L1876-R2063 HydrophobicContact CG-CB 4.26Å |
| 1877 | A | 83.1 | Confident | 75.9 | Confident | 47 Ų | 47 | 69.2 Ų | 69.2 | 39% | 0.388 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 160.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | W1921 V1922 | A1877-W1921 CarbonylContact O-C 3.48Å; A1877-W1921 WeakPolarHBondContact O-CA 3.4Å; A1877-V1922 HydrophobicContact CB-CB 4.5Å; A1877-V1922 PolarHBondContact N-O 3.11Å; A1877-V1922 PolarHBondContact O-N 3.08Å |
| 1878 | L | 81.4 | Confident | 74.2 | Confident | 21.2 Ų | 21.2 | 74.4 Ų | 74.4 | 11% | 0.111 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 107.8 | 169.9 | -175.6 | 70.1 | 0 | 0 | 0 | 107.7 | R1919 F1920 W1921 E2039 P2040 R2063 | L1878-R1919 HydrophobicContact CD1-CB 4.4Å; L1878-R1919 HydrophobicContact CD1-CG 3.95Å; L1878-R1919 VanDerWaalsContact CD2-CZ 3.47Å; L1878-R1919 VanDerWaalsContact CD2-NH1 3.34Å; L1878-R1919 HydrophobicContact CG-CG 4.12Å; L1878-R1919 PolarHBondContact O-NH2 3.44Å; L1878-F1920 CarbonylContact C-O 3.6Å; L1878-F1920 WeakPolarHBondContact CA-O 3.35Å; L1878-W1921 HydrophobicContact CB-CE3 4.08Å; L1878-W1921 HydrophobicContact CB-CH2 4.45Å; L1878-W1921 HydrophobicContact CB-CZ3 4.02Å; L1878-W1921 HydrophobicContact CD1-CD2 3.79Å; L1878-W1921 HydrophobicContact CD1-CE3 3.92Å; L1878-W1921 HydrophobicContact CD1-CG 4.28Å; L1878-W1921 HydrophobicContact CD1-CH2 4.3Å; L1878-W1921 HydrophobicContact CD1-CZ2 4.28Å; L1878-W1921 HydrophobicContact CD1-CZ3 4.17Å; L1878-W1921 HydrophobicContact CD2-CH2 4.28Å; L1878-W1921 HydrophobicContact CD2-CZ2 4.43Å; L1878-W1921 HydrophobicContact CD2-CZ3 4.42Å; L1878-W1921 HydrophobicContact CG-CE3 4.45Å; L1878-W1921 HydrophobicContact CG-CZ3 4.36Å; L1878-E2039 HydrophobicContact CD2-CB 4.31Å; L1878-E2039 HydrophobicContact CD2-CG 3.96Å; L1878-P2040 HydrophobicContact CD2-CG 4.37Å; L1878-R2063 VanDerWaalsContact CB-NH1 3.25Å |
| 1879 | A | 77.4 | Confident | 72.4 | Confident | 35.4 Ų | 35.4 | 73.2 Ų | 73.2 | 29% | 0.293 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 153.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1881 R1919 F1920 V1922 | A1879-L1881 HydrophobicContact CB-CD1 4.02Å; A1879-R1919 CarbonylContact O-C 3.59Å; A1879-R1919 WeakPolarHBondContact O-CA 3.28Å; A1879-R1919 VanDerWaalsContact O-CG 3.24Å; A1879-R1919 WeakPolarHBondContact O-CG 3.39Å; A1879-F1920 PolarHBondContact N-O 3.14Å; A1879-F1920 PolarHBondContact O-N 3.01Å; A1879-V1922 HydrophobicContact CB-CG2 3.82Å |
| 1880 | W | 75.6 | Confident | 70.7 | Confident | 113.2 Ų | 113.2 | 76 Ų | 76 | 43% | 0.429 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 122.1 | 166.4 | -71.3 | 99.6 | 0 | 0 | 0 | 108.8 | K1917 Q1918 R1919 T2037 | W1880-K1917 HydrophobicContact CB-CD 4.35Å; W1880-K1917 HydrophobicContact CE3-CB 3.8Å; W1880-K1917 HydrophobicContact CZ3-CB 4.28Å; W1880-K1917 VanDerWaalsContact CZ3-O 3.32Å; W1880-K1917 WeakPolarHBondContact CZ3-O 3.42Å; W1880-Q1918 WeakPolarHBondContact CA-O 3.33Å; W1880-R1919 HydrophobicContact CD2-CB 4.21Å; W1880-R1919 HydrophobicContact CD2-CG 3.83Å; W1880-R1919 VanDerWaalsContact CD2-CG 3.5Å; W1880-R1919 VanDerWaalsContact CE2-NE 3.32Å; W1880-R1919 HydrophobicContact CE3-CB 4.16Å; W1880-R1919 HydrophobicContact CE3-CG 3.84Å; W1880-R1919 HydrophobicContact CG-CG 4.22Å; W1880-R1919 HydrophobicContact CH2-CB 4.37Å; W1880-R1919 HydrophobicContact CH2-CG 4.02Å; W1880-R1919 HydrophobicContact CZ2-CB 4.47Å; W1880-R1919 HydrophobicContact CZ2-CG 4.03Å; W1880-R1919 VanDerWaalsContact CZ2-CZ 3.47Å; W1880-R1919 HydrophobicContact CZ3-CB 4.24Å; W1880-R1919 HydrophobicContact CZ3-CG 3.91Å; W1880-T2037 HydrophobicContact CH2-CG2 4.35Å |
| 1881 | L | 72.3 | Confident | 68.8 | Low | 18.6 Ų | 18.6 | 75.7 Ų | 75.7 | 10% | 0.097 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 144.8 | 173 | -72.1 | 92 | 0 | 0 | 0 | 110.5 | A1879 E1885 I1886 K1917 Q1918 F1920 V1922 L2032 | A1879-L1881 HydrophobicContact CB-CD1 4.02Å; L1881-E1885 WeakPolarHBondContact CA-OE2 3.31Å; L1881-E1885 HydrophobicContact CB-CB 4.48Å; L1881-E1885 HydrophobicContact CD2-CB 4.25Å; L1881-I1886 HydrophobicContact CB-CD1 4.41Å; L1881-I1886 HydrophobicContact CB-CG1 4.07Å; L1881-I1886 HydrophobicContact CD2-CG1 4.43Å; L1881-K1917 WeakPolarHBondContact O-CA 3.38Å; L1881-Q1918 PolarHBondContact N-O 3.1Å; L1881-Q1918 VanDerWaalsContact N-O 3.09Å; L1881-Q1918 PolarHBondContact O-N 3.17Å; L1881-Q1918 VanDerWaalsContact O-N 3.07Å; L1881-F1920 HydrophobicContact CB-CD2 4.1Å; L1881-F1920 HydrophobicContact CB-CE2 4.3Å; L1881-F1920 HydrophobicContact CD1-CB 4.02Å; L1881-F1920 HydrophobicContact CD1-CD2 3.94Å; L1881-F1920 HydrophobicContact CD1-CG 4.18Å; L1881-F1920 HydrophobicContact CG-CD2 4.39Å; L1881-V1922 HydrophobicContact CD1-CG2 3.97Å; L1881-L2032 HydrophobicContact CD1-CD2 4.34Å; L1881-L2032 HydrophobicContact CD2-CD1 4.02Å; L1881-L2032 HydrophobicContact CD2-CD2 4.02Å |
| 1882 | T | 72.7 | Confident | 66.6 | Low | 22.6 Ų | 22.6 | 75.7 Ų | 75.7 | 14% | 0.139 | 39% | 0.389 | C | S | . | . | trans | -87.8 | 154.4 | 171.7 | 58.3 | 0 | 0 | 0 | 0 | 111 | S1884 E1885 I1886 L1915 K1917 | T1882-S1884 WeakPolarHBondContact CB-OG 3.32Å; T1882-S1884 PolarHBondContact O-N 3.18Å; T1882-S1884 VanDerWaalsContact O-N 3.1Å; T1882-S1884 PolarHBondContact OG1-OG 2.99Å; T1882-E1885 VanDerWaalsContact CB-OE2 3.3Å; T1882-E1885 WeakPolarHBondContact CB-OE2 3.28Å; T1882-E1885 WeakPolarHBondContact CG2-OE2 3.32Å; T1882-E1885 PolarHBondContact N-OE2 3.27Å; T1882-E1885 PolarHBondContact O-N 3.12Å; T1882-E1885 VanDerWaalsContact OG1-CD 3.28Å; T1882-E1885 VanDerWaalsContact OG1-CG 3.28Å; T1882-E1885 WeakPolarHBondContact OG1-CG 3.37Å; T1882-E1885 PolarHBondContact OG1-N 2.95Å; T1882-E1885 PolarHBondContact OG1-OE2 3.31Å; T1882-I1886 WeakPolarHBondContact O-CD1 3.48Å; T1882-I1886 VanDerWaalsContact O-CG1 3.31Å; T1882-I1886 WeakPolarHBondContact O-CG1 3.34Å; T1882-I1886 PolarHBondContact O-N 3.09Å; T1882-I1886 VanDerWaalsContact O-N 3.14Å; T1882-L1915 HydrophobicContact CG2-CD2 4.37Å; T1882-K1917 HydrophobicContact CG2-CD 4.45Å; T1882-K1917 HydrophobicContact CG2-CG 4.19Å | ||
| 1883 | D | 66.1 | Low | 64 | Low | 69 Ų | 69 | 80.2 Ų | 80.2 | 37% | 0.369 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -53.1 | -29.4 | 174.1 | -78.6 | -38.3 | 0 | 0 | 0 | 112.9 | I1886 R1887 L1915 | D1883-I1886 PolarHBondContact O-N 3.06Å; D1883-R1887 WeakPolarHBondContact O-CB 3.37Å; D1883-R1887 VanDerWaalsContact O-CD 3.23Å; D1883-R1887 WeakPolarHBondContact O-CD 3.12Å; D1883-R1887 VanDerWaalsContact O-CG 3.28Å; D1883-R1887 WeakPolarHBondContact O-CG 3.33Å; D1883-R1887 PolarHBondContact O-N 3.11Å; D1883-R1887 VanDerWaalsContact O-N 3.11Å; D1883-L1915 HydrophobicContact CB-CD2 4.3Å |
| 1884 | S | 61.4 | Low | 61.4 | Low | 56.6 Ų | 56.6 | 79.8 Ų | 79.8 | 40% | 0.396 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -67 | -45.3 | 173 | 35 | 0 | 0 | 0 | 0 | 112.8 | T1882 I1886 R1887 H1888 | T1882-S1884 WeakPolarHBondContact CB-OG 3.32Å; T1882-S1884 PolarHBondContact O-N 3.18Å; T1882-S1884 VanDerWaalsContact O-N 3.1Å; T1882-S1884 PolarHBondContact OG1-OG 2.99Å; S1884-I1886 VanDerWaalsContact C-N 3.27Å; S1884-I1886 PolarHBondContact O-N 2.91Å; S1884-R1887 CarbonylContact O-C 3.58Å; S1884-R1887 PolarHBondContact O-N 3.35Å; S1884-H1888 WeakPolarHBondContact O-CA 3.19Å; S1884-H1888 VanDerWaalsContact O-CB 3.27Å; S1884-H1888 WeakPolarHBondContact O-CB 3.43Å; S1884-H1888 VanDerWaalsContact O-CG 3.27Å; S1884-H1888 PolarHBondContact O-N 3.18Å; S1884-H1888 PolarHBondContact O-ND1 2.83Å |
| 1885 | E | 62.8 | Low | 58.7 | Low | 104 Ų | 104 | 84.1 Ų | 84.1 | 49% | 0.486 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -69.9 | -31.2 | -179.8 | -70.3 | 159 | 140.2 | 0 | 0 | 112 | L1881 T1882 R1887 H1888 S1889 | L1881-E1885 WeakPolarHBondContact CA-OE2 3.31Å; L1881-E1885 HydrophobicContact CB-CB 4.48Å; L1881-E1885 HydrophobicContact CD2-CB 4.25Å; T1882-E1885 VanDerWaalsContact CB-OE2 3.3Å; T1882-E1885 WeakPolarHBondContact CB-OE2 3.28Å; T1882-E1885 WeakPolarHBondContact CG2-OE2 3.32Å; T1882-E1885 PolarHBondContact N-OE2 3.27Å; T1882-E1885 PolarHBondContact O-N 3.12Å; T1882-E1885 VanDerWaalsContact OG1-CD 3.28Å; T1882-E1885 VanDerWaalsContact OG1-CG 3.28Å; T1882-E1885 WeakPolarHBondContact OG1-CG 3.37Å; T1882-E1885 PolarHBondContact OG1-N 2.95Å; T1882-E1885 PolarHBondContact OG1-OE2 3.31Å; E1885-R1887 VanDerWaalsContact C-N 3.33Å; E1885-R1887 PolarHBondContact O-N 2.85Å; E1885-H1888 PolarHBondContact O-N 2.74Å; E1885-S1889 PolarHBondContact O-N 2.8Å; E1885-S1889 PolarHBondContact O-OG 3.3Å |
| 1886 | I | 60.8 | Low | 56.1 | Low | 33.8 Ų | 33.8 | 89.4 Ų | 89.4 | 17% | 0.173 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -68.4 | -38.1 | 174.2 | -59.1 | 165.3 | 0 | 0 | 0 | 110.6 | P1282 L1881 T1882 D1883 S1884 H1888 S1889 D1890 F1920 L2032 | P1282-I1886 HydrophobicContact CB-CG2 4.49Å; L1881-I1886 HydrophobicContact CB-CD1 4.41Å; L1881-I1886 HydrophobicContact CB-CG1 4.07Å; L1881-I1886 HydrophobicContact CD2-CG1 4.43Å; T1882-I1886 WeakPolarHBondContact O-CD1 3.48Å; T1882-I1886 VanDerWaalsContact O-CG1 3.31Å; T1882-I1886 WeakPolarHBondContact O-CG1 3.34Å; T1882-I1886 PolarHBondContact O-N 3.09Å; T1882-I1886 VanDerWaalsContact O-N 3.14Å; D1883-I1886 PolarHBondContact O-N 3.06Å; S1884-I1886 VanDerWaalsContact C-N 3.27Å; S1884-I1886 PolarHBondContact O-N 2.91Å; I1886-H1888 PolarHBondContact O-N 2.97Å; I1886-H1888 VanDerWaalsContact O-N 3.15Å; I1886-S1889 PolarHBondContact O-N 3.47Å; I1886-S1889 PolarHBondContact O-OG 3.25Å; I1886-D1890 PolarHBondContact O-N 3.14Å; I1886-F1920 HydrophobicContact CD1-CE2 3.6Å; I1886-F1920 HydrophobicContact CD1-CZ 3.8Å; I1886-F1920 HydrophobicContact CG1-CE2 4.27Å; I1886-F1920 HydrophobicContact CG1-CZ 4.41Å; I1886-L2032 HydrophobicContact CG1-CD1 4.43Å; I1886-L2032 HydrophobicContact CG2-CD1 4.44Å |
| 1887 | R | 55.1 | Low | 53.5 | Low | 184.2 Ų | 184.2 | 98 Ų | 98 | 70% | 0.695 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -90.4 | -11.7 | -176.7 | -70.7 | -179 | -174.3 | -127.2 | 2.6 | 115.6 | D1883 S1884 E1885 S1889 D1890 | D1883-R1887 WeakPolarHBondContact O-CB 3.37Å; D1883-R1887 VanDerWaalsContact O-CD 3.23Å; D1883-R1887 WeakPolarHBondContact O-CD 3.12Å; D1883-R1887 VanDerWaalsContact O-CG 3.28Å; D1883-R1887 WeakPolarHBondContact O-CG 3.33Å; D1883-R1887 PolarHBondContact O-N 3.11Å; D1883-R1887 VanDerWaalsContact O-N 3.11Å; S1884-R1887 CarbonylContact O-C 3.58Å; S1884-R1887 PolarHBondContact O-N 3.35Å; E1885-R1887 VanDerWaalsContact C-N 3.33Å; E1885-R1887 PolarHBondContact O-N 2.85Å; R1887-S1889 VanDerWaalsContact C-N 3.32Å; R1887-S1889 PolarHBondContact O-N 3.07Å; R1887-D1890 WeakPolarHBondContact CA-OD2 3.47Å; R1887-D1890 PolarHBondContact O-N 3.38Å |
| 1888 | H | 48.2 | Very low | 51.1 | Low | 155.4 Ų | 155.4 | 100.8 Ų | 100.8 | 72% | 0.719 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | 28.4 | -178.6 | -85.1 | 42.9 | 0 | 0 | 0 | 113.6 | S1884 E1885 I1886 | S1884-H1888 WeakPolarHBondContact O-CA 3.19Å; S1884-H1888 VanDerWaalsContact O-CB 3.27Å; S1884-H1888 WeakPolarHBondContact O-CB 3.43Å; S1884-H1888 VanDerWaalsContact O-CG 3.27Å; S1884-H1888 PolarHBondContact O-N 3.18Å; S1884-H1888 PolarHBondContact O-ND1 2.83Å; E1885-H1888 PolarHBondContact O-N 2.74Å; I1886-H1888 PolarHBondContact O-N 2.97Å; I1886-H1888 VanDerWaalsContact O-N 3.15Å |
| 1889 | S | 42.5 | Very low | 48.7 | Very low | 74.2 Ų | 74.2 | 106.3 Ų | 106.3 | 52% | 0.519 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111.1 | -8.3 | 165.4 | 49.9 | 0 | 0 | 0 | 0 | 113.9 | K1289 E1885 I1886 R1887 I1891 | K1289-S1889 VanDerWaalsContact CE-OG 3.25Å; K1289-S1889 WeakPolarHBondContact CE-OG 3.31Å; E1885-S1889 PolarHBondContact O-N 2.8Å; E1885-S1889 PolarHBondContact O-OG 3.3Å; I1886-S1889 PolarHBondContact O-N 3.47Å; I1886-S1889 PolarHBondContact O-OG 3.25Å; R1887-S1889 VanDerWaalsContact C-N 3.32Å; R1887-S1889 PolarHBondContact O-N 3.07Å; S1889-I1891 PolarHBondContact O-N 3.2Å; S1889-I1891 VanDerWaalsContact O-N 3.14Å |
| 1890 | D | 37.8 | Very low | 46.6 | Very low | 102 Ų | 102 | 110.6 Ų | 110.6 | 55% | 0.545 | 59% | 0.585 | S | S | . | * | trans | -87.4 | 61.7 | -178.1 | -72.8 | -23.7 | 0 | 0 | 0 | 113.8 | K1289 I1886 R1887 L1892 | K1289-D1890 WeakPolarHBondContact CE-OD1 3.49Å; K1289-D1890 IonicContact NZ-OD1 3.37Å; K1289-D1890 PolarHBondContact NZ-OD1 3.37Å; K1289-D1890 IonicContact NZ-OD2 3.91Å; K1289-D1890 PolarHBondContact NZ-OD2 2.87Å; I1886-D1890 PolarHBondContact O-N 3.14Å; R1887-D1890 WeakPolarHBondContact CA-OD2 3.47Å; R1887-D1890 PolarHBondContact O-N 3.38Å; D1890-L1892 VanDerWaalsContact C-N 3.29Å; D1890-L1892 PolarHBondContact O-N 2.84Å | ||
| 1891 | I | 33.6 | Very low | 44.4 | Very low | 140.4 Ų | 140.4 | 115.1 Ų | 115.1 | 72% | 0.72 | 61% | 0.607 | S | S | * | * | trans | -115.3 | 84.4 | 170.9 | -50.5 | 176.9 | 0 | 0 | 0 | 111.1 | R1290 S1889 | R1290-I1891 PolarHBondContact NH2-O 3.24Å; S1889-I1891 PolarHBondContact O-N 3.2Å; S1889-I1891 VanDerWaalsContact O-N 3.14Å | ||
| 1892 | L | 32.6 | Very low | 42.6 | Very low | 135.6 Ų | 135.6 | 121.1 Ų | 121.1 | 71% | 0.71 | 64% | 0.644 | S | S | * | * | trans | -146.4 | 63.1 | 154.8 | -99.4 | 146.2 | 0 | 0 | 0 | 111 | R1639 D1890 D1894 | R1639-L1892 PolarHBondContact NH1-O 3.27Å; R1639-L1892 PolarHBondContact NH2-O 2.8Å; D1890-L1892 VanDerWaalsContact C-N 3.29Å; D1890-L1892 PolarHBondContact O-N 2.84Å; L1892-D1894 PolarHBondContact O-N 2.69Å | ||
| 1893 | T | 32.1 | Very low | 40.6 | Very low | 116.6 Ų | 116.6 | 130.5 Ų | 130.5 | 72% | 0.715 | 68% | 0.677 | S | S | * | * | trans | -111.4 | 112.9 | 158.3 | 52.1 | 0 | 0 | 0 | 0 | 109.4 | S1895 | T1893-S1895 PolarHBondContact O-N 3.09Š| ||
| 1894 | D | 31.9 | Very low | 39 | Very low | 149.6 Ų | 149.6 | 134.2 Ų | 134.2 | 80% | 0.8 | 70% | 0.697 | S | S | * | * | trans | -59 | 109.5 | -180 | -137.4 | -9.3 | 0 | 0 | 0 | 112.9 | L1892 Q1896 | L1892-D1894 PolarHBondContact O-N 2.69Å; D1894-Q1896 PolarHBondContact O-N 3.38Å | ||
| 1895 | S | 31.1 | Very low | 37.7 | Very low | 107.4 Ų | 107.4 | 136.7 Ų | 136.7 | 75% | 0.751 | 72% | 0.715 | S | S | * | * | trans | -76.9 | 91.1 | 165.4 | -178.8 | 0 | 0 | 0 | 0 | 111.8 | T1893 K1897 | T1893-S1895 PolarHBondContact O-N 3.09Å; S1895-K1897 PolarHBondContact O-N 2.81Å | ||
| 1896 | Q | 33.1 | Very low | 36.2 | Very low | 172.6 Ų | 172.6 | 140.8 Ų | 140.8 | 81% | 0.807 | 73% | 0.734 | S | S | * | * | trans | -116.1 | 106.8 | 148.1 | -76.7 | -170 | 9.1 | 0 | 0 | 112.4 | D1894 S1898 | D1894-Q1896 PolarHBondContact O-N 3.38Å; Q1896-S1898 VanDerWaalsContact C-N 3.33Å; Q1896-S1898 PolarHBondContact O-N 3.15Å; Q1896-S1898 VanDerWaalsContact O-N 3.14Å | ||
| 1897 | K | 32.1 | Very low | 34.8 | Very low | 199.6 Ų | 199.6 | 144.8 Ų | 144.8 | 87% | 0.868 | 77% | 0.765 | S | S | * | * | trans | 5.3 | 84.6 | 160.6 | -116.9 | 174.6 | 179.8 | 172.6 | 0 | 115.2 | S1895 T1899 | S1895-K1897 PolarHBondContact O-N 2.81Å; K1897-T1899 PolarHBondContact O-N 3.24Å | ||
| 1898 | S | 32.6 | Very low | 33.6 | Very low | 105.8 Ų | 105.8 | 141.8 Ų | 141.8 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | trans | -122.5 | 101 | 147.3 | 72.2 | 0 | 0 | 0 | 0 | 110.5 | Q1896 T1900 | Q1896-S1898 VanDerWaalsContact C-N 3.33Å; Q1896-S1898 PolarHBondContact O-N 3.15Å; Q1896-S1898 VanDerWaalsContact O-N 3.14Å; S1898-T1900 PolarHBondContact O-N 3.01Å; S1898-T1900 VanDerWaalsContact O-N 3.08Å | ||
| 1899 | T | 30.4 | Very low | 32.9 | Very low | 135.8 Ų | 135.8 | 139.6 Ų | 139.6 | 83% | 0.833 | 78% | 0.775 | S | S | * | * | trans | -78 | 102.9 | 172.2 | 46.5 | 0 | 0 | 0 | 0 | 110.3 | K1897 | K1897-T1899 PolarHBondContact O-N 3.24Š| ||
| 1900 | T | 33.8 | Very low | 32.3 | Very low | 125.4 Ų | 125.4 | 141.1 Ų | 141.1 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -135.3 | 111.3 | 161.6 | 15.8 | 0 | 0 | 0 | 0 | 110.3 | S1898 V1902 | S1898-T1900 PolarHBondContact O-N 3.01Å; S1898-T1900 VanDerWaalsContact O-N 3.08Å; T1900-V1902 PolarHBondContact O-N 3.31Å | ||
| 1901 | K | 30.4 | Very low | 32.1 | Very low | 207.6 Ų | 207.6 | 141.2 Ų | 141.2 | 90% | 0.903 | 80% | 0.8 | S | S | * | * | trans | -55.8 | 119.1 | 164.9 | -80.6 | 171.6 | 175.3 | 172.8 | 0 | 110.7 | ||||
| 1902 | V | 34.4 | Very low | 32.2 | Very low | 144 Ų | 144 | 141.2 Ų | 141.2 | 87% | 0.873 | 81% | 0.807 | S | S | * | * | trans | -132.7 | 134.7 | 145.5 | -177.8 | 0 | 0 | 0 | 0 | 108.1 | T1900 | T1900-V1902 PolarHBondContact O-N 3.31Š| ||
| 1903 | R | 30.9 | Very low | 32.5 | Very low | 221 Ų | 221 | 139 Ų | 139 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | trans | -103.5 | 144 | -175.1 | -155.9 | -176.1 | -176.1 | 171.2 | -0.5 | 111 | S1905 | R1903-S1905 PolarHBondContact O-N 3.29Š| ||
| 1904 | N | 32.5 | Very low | 32.9 | Very low | 145.8 Ų | 145.8 | 138.5 Ų | 138.5 | 78% | 0.78 | 81% | 0.809 | S | S | * | * | trans | 56.1 | 126.1 | 160.3 | -54.6 | -11.1 | 0 | 0 | 0 | 116.6 | ||||
| 1905 | S | 33.6 | Very low | 33.6 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | -164.8 | 118.5 | 124.5 | 49 | 0 | 0 | 0 | 0 | 111.7 | R1903 | R1903-S1905 PolarHBondContact O-N 3.29Š| |||
| 1906 | E | 30.3 | Very low | 35 | Very low | 189 Ų | 189 | 138.9 Ų | 138.9 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -26.6 | 134.2 | 154.9 | -65.4 | 165.2 | 142.8 | 0 | 0 | 114.3 | ||||
| 1907 | S | 32.5 | Very low | 36.5 | Very low | 119.4 Ų | 119.4 | 135.7 Ų | 135.7 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | 156.9 | 113.8 | 144 | 57.6 | 0 | 0 | 0 | 0 | 113.3 | S1909 | S1907-S1909 PolarHBondContact O-N 3.35Š| ||
| 1908 | S | 29.4 | Very low | 38.5 | Very low | 121 Ų | 121 | 131 Ų | 131 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | trans | -106.3 | 116.4 | 161.9 | 47.1 | 0 | 0 | 0 | 0 | 112 | A1910 | S1908-A1910 PolarHBondContact O-N 2.99Å; S1908-A1910 VanDerWaalsContact O-N 3.09Å | ||
| 1909 | S | 32.4 | Very low | 40.7 | Very low | 109.8 Ų | 109.8 | 127.4 Ų | 127.4 | 77% | 0.768 | 73% | 0.73 | S | S | * | * | trans | -109.3 | 110 | 159.6 | 40.9 | 0 | 0 | 0 | 0 | 111.3 | S1907 S1911 | S1907-S1909 PolarHBondContact O-N 3.35Å; S1909-S1911 VanDerWaalsContact C-N 3.3Å; S1909-S1911 PolarHBondContact O-N 3.17Å; S1909-S1911 VanDerWaalsContact O-N 3.14Å | ||
| 1910 | A | 31 | Very low | 43.3 | Very low | 105 Ų | 105 | 121.5 Ų | 121.5 | 87% | 0.868 | 69% | 0.692 | S | S | * | * | trans | -73.3 | 92.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | S1908 T1912 | S1908-A1910 PolarHBondContact O-N 2.99Å; S1908-A1910 VanDerWaalsContact O-N 3.09Å; A1910-T1912 PolarHBondContact O-N 2.89Å; A1910-T1912 VanDerWaalsContact O-N 3.17Å | ||
| 1911 | S | 33.7 | Very low | 45.7 | Very low | 103.6 Ų | 103.6 | 115.8 Ų | 115.8 | 72% | 0.724 | 66% | 0.657 | S | S | * | * | trans | -81.2 | 113.8 | 166.1 | 54.4 | 0 | 0 | 0 | 0 | 108.3 | S1909 A1913 | S1909-S1911 VanDerWaalsContact C-N 3.3Å; S1909-S1911 PolarHBondContact O-N 3.17Å; S1909-S1911 VanDerWaalsContact O-N 3.14Å; S1911-A1913 VanDerWaalsContact C-N 3.33Å; S1911-A1913 PolarHBondContact O-N 3.15Å | ||
| 1912 | T | 35 | Very low | 48.5 | Very low | 141.6 Ų | 141.6 | 106.5 Ų | 106.5 | 87% | 0.869 | 62% | 0.617 | S | S | * | * | trans | -59.6 | 93.1 | 171.7 | 32.5 | 0 | 0 | 0 | 0 | 109.6 | A1910 S1914 | A1910-T1912 PolarHBondContact O-N 2.89Å; A1910-T1912 VanDerWaalsContact O-N 3.17Å; T1912-S1914 PolarHBondContact O-N 3.11Å; T1912-S1914 VanDerWaalsContact O-N 3.09Å | ||
| 1913 | A | 38.6 | Very low | 51.1 | Low | 88.6 Ų | 88.6 | 99.6 Ų | 99.6 | 73% | 0.732 | 58% | 0.576 | S | S | * | * | trans | -64.3 | 103.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108 | S1911 L1915 | S1911-A1913 VanDerWaalsContact C-N 3.33Å; S1911-A1913 PolarHBondContact O-N 3.15Å; A1913-L1915 VanDerWaalsContact C-N 3.29Å; A1913-L1915 PolarHBondContact O-N 3.26Å | ||
| 1914 | S | 41.6 | Very low | 53.8 | Low | 105.4 Ų | 105.4 | 90.7 Ų | 90.7 | 74% | 0.737 | 55% | 0.545 | S | S | * | . | trans | -59.3 | 107 | 172 | 102.7 | 0 | 0 | 0 | 0 | 108.5 | T1912 K1916 | T1912-S1914 PolarHBondContact O-N 3.11Å; T1912-S1914 VanDerWaalsContact O-N 3.09Å; S1914-K1916 PolarHBondContact O-N 3.14Å; S1914-K1916 VanDerWaalsContact O-N 3.11Å | ||
| 1915 | L | 47.1 | Very low | 56.6 | Low | 111.8 Ų | 111.8 | 83.8 Ų | 83.8 | 59% | 0.585 | 51% | 0.507 | S | S | * | . | trans | -55.8 | 111.3 | 172.4 | -84 | 129.1 | 0 | 0 | 0 | 108.3 | T1882 D1883 A1913 K1917 | T1882-L1915 HydrophobicContact CG2-CD2 4.37Å; D1883-L1915 HydrophobicContact CB-CD2 4.3Å; A1913-L1915 VanDerWaalsContact C-N 3.29Å; A1913-L1915 PolarHBondContact O-N 3.26Å; L1915-K1917 VanDerWaalsContact C-N 3.31Å; L1915-K1917 PolarHBondContact O-N 3.09Å | ||
| 1916 | K | 58.7 | Low | 59.3 | Low | 154.2 Ų | 154.2 | 80.6 Ų | 80.6 | 67% | 0.67 | 48% | 0.483 | S | S | * | . | trans | -72.3 | 90 | 177.1 | -76.5 | -176.4 | 177.2 | 178.5 | 0 | 108.4 | S1914 Q1918 | S1914-K1916 PolarHBondContact O-N 3.14Å; S1914-K1916 VanDerWaalsContact O-N 3.11Å; K1916-Q1918 PolarHBondContact O-N 3.29Å; K1916-Q1918 VanDerWaalsContact O-N 3.15Å | ||
| 1917 | K | 65.9 | Low | 62.1 | Low | 106 Ų | 106 | 71.9 Ų | 71.9 | 46% | 0.461 | 44% | 0.444 | S | S | . | . | trans | -62.8 | 128.8 | 168.4 | -69.4 | -175.7 | 176.5 | -177.1 | 0 | 108.6 | W1880 L1881 T1882 L1915 | W1880-K1917 HydrophobicContact CB-CD 4.35Å; W1880-K1917 HydrophobicContact CE3-CB 3.8Å; W1880-K1917 HydrophobicContact CZ3-CB 4.28Å; W1880-K1917 VanDerWaalsContact CZ3-O 3.32Å; W1880-K1917 WeakPolarHBondContact CZ3-O 3.42Å; L1881-K1917 WeakPolarHBondContact O-CA 3.38Å; T1882-K1917 HydrophobicContact CG2-CD 4.45Å; T1882-K1917 HydrophobicContact CG2-CG 4.19Å; L1915-K1917 VanDerWaalsContact C-N 3.31Å; L1915-K1917 PolarHBondContact O-N 3.09Å | ||
| 1918 | Q | 72.8 | Confident | 64.8 | Low | 99.6 Ų | 99.6 | 67.6 Ų | 67.6 | 47% | 0.465 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 151.9 | 173.8 | -71.8 | -175.5 | 14.5 | 0 | 0 | 109.6 | W1880 L1881 K1916 F1920 | W1880-Q1918 WeakPolarHBondContact CA-O 3.33Å; L1881-Q1918 PolarHBondContact N-O 3.1Å; L1881-Q1918 VanDerWaalsContact N-O 3.09Å; L1881-Q1918 PolarHBondContact O-N 3.17Å; L1881-Q1918 VanDerWaalsContact O-N 3.07Å; K1916-Q1918 PolarHBondContact O-N 3.29Å; K1916-Q1918 VanDerWaalsContact O-N 3.15Å; Q1918-F1920 HydrophobicContact CB-CD2 4.4Å; Q1918-F1920 HydrophobicContact CB-CE2 3.68Å; Q1918-F1920 HydrophobicContact CB-CZ 4.23Å |
| 1919 | R | 79.6 | Confident | 67.7 | Low | 30.4 Ų | 30.4 | 61.8 Ų | 61.8 | 12% | 0.115 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 133.8 | 179.6 | -114.9 | 176.7 | 168.8 | 178.4 | -9.3 | 110.2 | L1878 A1879 W1880 G2035 P2036 T2037 I2038 E2039 | L1878-R1919 HydrophobicContact CD1-CB 4.4Å; L1878-R1919 HydrophobicContact CD1-CG 3.95Å; L1878-R1919 VanDerWaalsContact CD2-CZ 3.47Å; L1878-R1919 VanDerWaalsContact CD2-NH1 3.34Å; L1878-R1919 HydrophobicContact CG-CG 4.12Å; L1878-R1919 PolarHBondContact O-NH2 3.44Å; A1879-R1919 CarbonylContact O-C 3.59Å; A1879-R1919 WeakPolarHBondContact O-CA 3.28Å; A1879-R1919 VanDerWaalsContact O-CG 3.24Å; A1879-R1919 WeakPolarHBondContact O-CG 3.39Å; W1880-R1919 HydrophobicContact CD2-CB 4.21Å; W1880-R1919 HydrophobicContact CD2-CG 3.83Å; W1880-R1919 VanDerWaalsContact CD2-CG 3.5Å; W1880-R1919 VanDerWaalsContact CE2-NE 3.32Å; W1880-R1919 HydrophobicContact CE3-CB 4.16Å; W1880-R1919 HydrophobicContact CE3-CG 3.84Å; W1880-R1919 HydrophobicContact CG-CG 4.22Å; W1880-R1919 HydrophobicContact CH2-CB 4.37Å; W1880-R1919 HydrophobicContact CH2-CG 4.02Å; W1880-R1919 HydrophobicContact CZ2-CB 4.47Å; W1880-R1919 HydrophobicContact CZ2-CG 4.03Å; W1880-R1919 VanDerWaalsContact CZ2-CZ 3.47Å; W1880-R1919 HydrophobicContact CZ3-CB 4.24Å; W1880-R1919 HydrophobicContact CZ3-CG 3.91Å; R1919-G2035 WeakPolarHBondContact O-CA 3.2Å; R1919-G2035 PolarHBondContact O-N 3.21Å; R1919-P2036 WeakPolarHBondContact CD-O 3.36Å; R1919-P2036 WeakPolarHBondContact CG-O 3.42Å; R1919-P2036 PolarHBondContact NH1-O 3.04Å; R1919-T2037 WeakPolarHBondContact CD-O 3.44Å; R1919-T2037 PolarHBondContact NH1-O 3.21Å; R1919-T2037 VanDerWaalsContact NH1-O 3.12Å; R1919-I2038 PolarHBondContact NH1-O 3.24Å; R1919-I2038 VanDerWaalsContact NH1-O 3.12Å; R1919-E2039 IonicContact CZ-OE2 3.5Å; R1919-E2039 VanDerWaalsContact NH1-N 3.11Å; R1919-E2039 IonicContact NH1-OE2 3.44Å; R1919-E2039 PolarHBondContact NH1-OE2 2.65Å; R1919-E2039 IonicContact NH2-OE2 3.33Å; R1919-E2039 PolarHBondContact NH2-OE2 3.21Å |
| 1920 | F | 84.4 | Confident | 70.3 | Confident | 12.2 Ų | 12.2 | 59.5 Ų | 59.5 | 5% | 0.054 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 141.4 | 176.6 | -65.5 | -95.3 | 0 | 0 | 0 | 110.5 | P1282 L1878 A1879 L1881 I1886 Q1918 V1922 L2032 I2033 P2034 | P1282-F1920 HydrophobicContact CG-CE1 4.09Å; P1282-F1920 HydrophobicContact CG-CZ 4.41Å; L1878-F1920 CarbonylContact C-O 3.6Å; L1878-F1920 WeakPolarHBondContact CA-O 3.35Å; A1879-F1920 PolarHBondContact N-O 3.14Å; A1879-F1920 PolarHBondContact O-N 3.01Å; L1881-F1920 HydrophobicContact CB-CD2 4.1Å; L1881-F1920 HydrophobicContact CB-CE2 4.3Å; L1881-F1920 HydrophobicContact CD1-CB 4.02Å; L1881-F1920 HydrophobicContact CD1-CD2 3.94Å; L1881-F1920 HydrophobicContact CD1-CG 4.18Å; L1881-F1920 HydrophobicContact CG-CD2 4.39Å; I1886-F1920 HydrophobicContact CD1-CE2 3.6Å; I1886-F1920 HydrophobicContact CD1-CZ 3.8Å; I1886-F1920 HydrophobicContact CG1-CE2 4.27Å; I1886-F1920 HydrophobicContact CG1-CZ 4.41Å; Q1918-F1920 HydrophobicContact CB-CD2 4.4Å; Q1918-F1920 HydrophobicContact CB-CE2 3.68Å; Q1918-F1920 HydrophobicContact CB-CZ 4.23Å; F1920-V1922 HydrophobicContact CB-CG2 4.44Å; F1920-V1922 PolarHBondContact O-N 3.06Å; F1920-L2032 HydrophobicContact CB-CB 4.47Å; F1920-L2032 HydrophobicContact CB-CD2 4.41Å; F1920-L2032 HydrophobicContact CD1-CB 4.04Å; F1920-L2032 HydrophobicContact CG-CB 4.38Å; F1920-I2033 CarbonylContact C-O 3.45Å; F1920-I2033 VanDerWaalsContact CA-O 3.3Å; F1920-I2033 WeakPolarHBondContact CA-O 3.42Å; F1920-P2034 HydrophobicContact CD1-CB 4.41Å; F1920-P2034 HydrophobicContact CD1-CG 4.32Å; F1920-P2034 HydrophobicContact CE1-CB 4.37Å; F1920-P2034 HydrophobicContact CE1-CG 4.12Å |
| 1921 | W | 85.7 | Confident | 72.8 | Confident | 6.4 Ų | 6.4 | 60 Ų | 60 | 2% | 0.024 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 115.9 | 154.9 | -63.2 | 109.7 | 0 | 0 | 0 | 107.8 | L1876 A1877 L1878 I2033 P2036 P2040 K2044 F2046 R2063 | L1876-W1921 HydrophobicContact CD1-CB 4.17Å; L1876-W1921 HydrophobicContact CD1-CE3 3.9Å; L1876-W1921 HydrophobicContact CD2-CE3 4.42Å; L1876-W1921 HydrophobicContact CD2-CZ3 4.46Å; L1876-W1921 HydrophobicContact CG-CE3 4.22Å; L1876-W1921 HydrophobicContact CG-CZ3 4.44Å; A1877-W1921 CarbonylContact O-C 3.48Å; A1877-W1921 WeakPolarHBondContact O-CA 3.4Å; L1878-W1921 HydrophobicContact CB-CE3 4.08Å; L1878-W1921 HydrophobicContact CB-CH2 4.45Å; L1878-W1921 HydrophobicContact CB-CZ3 4.02Å; L1878-W1921 HydrophobicContact CD1-CD2 3.79Å; L1878-W1921 HydrophobicContact CD1-CE3 3.92Å; L1878-W1921 HydrophobicContact CD1-CG 4.28Å; L1878-W1921 HydrophobicContact CD1-CH2 4.3Å; L1878-W1921 HydrophobicContact CD1-CZ2 4.28Å; L1878-W1921 HydrophobicContact CD1-CZ3 4.17Å; L1878-W1921 HydrophobicContact CD2-CH2 4.28Å; L1878-W1921 HydrophobicContact CD2-CZ2 4.43Å; L1878-W1921 HydrophobicContact CD2-CZ3 4.42Å; L1878-W1921 HydrophobicContact CG-CE3 4.45Å; L1878-W1921 HydrophobicContact CG-CZ3 4.36Å; W1921-I2033 HydrophobicContact CB-CB 4.14Å; W1921-I2033 WeakPolarHBondContact CB-O 3.4Å; W1921-I2033 PolarHBondContact N-O 3.02Å; W1921-I2033 PolarHBondContact O-N 2.99Å; W1921-P2036 HydrophobicContact CZ2-CG 4.32Å; W1921-P2040 HydrophobicContact CH2-CG 3.87Å; W1921-P2040 HydrophobicContact CZ2-CG 3.92Å; W1921-K2044 HydrophobicContact CD2-CG 4.27Å; W1921-K2044 HydrophobicContact CE3-CG 4.48Å; W1921-K2044 HydrophobicContact CH2-CB 3.73Å; W1921-K2044 HydrophobicContact CH2-CG 4.27Å; W1921-K2044 HydrophobicContact CZ2-CB 3.82Å; W1921-K2044 HydrophobicContact CZ2-CG 4.01Å; W1921-K2044 HydrophobicContact CZ3-CB 4.28Å; W1921-K2044 HydrophobicContact CZ3-CG 4.36Å; W1921-F2046 HydrophobicContact CB-CE2 4.02Å; W1921-F2046 HydrophobicContact CB-CZ 4.29Å; W1921-F2046 AromaticContact CD1-CZ 3.98Å; W1921-F2046 HydrophobicContact CD2-CE2 4.35Å; W1921-F2046 AromaticContact CG-CE2 3.93Å; W1921-F2046 HydrophobicContact CG-CE2 4.01Å; W1921-F2046 HydrophobicContact CG-CZ 4.17Å; W1921-R2063 HydrophobicContact CZ3-CB 4.44Å |
| 1922 | V | 87.7 | Confident | 75.1 | Confident | 11.8 Ų | 11.8 | 59.4 Ų | 59.4 | 7% | 0.072 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 114.9 | 178.7 | -174 | 0 | 0 | 0 | 0 | 107.3 | L1876 A1877 A1879 L1881 F1920 R2030 I2031 L2032 | L1876-V1922 WeakPolarHBondContact CA-O 3.42Å; A1877-V1922 HydrophobicContact CB-CB 4.5Å; A1877-V1922 PolarHBondContact N-O 3.11Å; A1877-V1922 PolarHBondContact O-N 3.08Å; A1879-V1922 HydrophobicContact CB-CG2 3.82Å; L1881-V1922 HydrophobicContact CD1-CG2 3.97Å; F1920-V1922 HydrophobicContact CB-CG2 4.44Å; F1920-V1922 PolarHBondContact O-N 3.06Å; V1922-R2030 HydrophobicContact CG1-CG 3.86Å; V1922-I2031 WeakPolarHBondContact CA-O 3.2Å; V1922-L2032 HydrophobicContact CB-CD2 4.35Å; V1922-L2032 HydrophobicContact CG1-CD2 4.1Å; V1922-L2032 HydrophobicContact CG2-CD2 3.8Å |
| 1923 | I | 89.7 | Confident | 77.4 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 111.7 | 170.5 | -53.9 | 165.5 | 0 | 0 | 0 | 107.5 | S1875 L1876 V1940 R2030 I2031 I2033 F2046 L2048 V2061 | S1875-I1923 VanDerWaalsContact O-CA 3.29Å; S1875-I1923 WeakPolarHBondContact O-CA 3.39Å; L1876-I1923 HydrophobicContact CD1-CG1 3.79Å; I1923-V1940 HydrophobicContact CD1-CG1 4.36Å; I1923-R2030 WeakPolarHBondContact O-CA 3.34Å; I1923-I2031 HydrophobicContact CB-CB 4.16Å; I1923-I2031 HydrophobicContact CB-CD1 4.49Å; I1923-I2031 HydrophobicContact CD1-CB 4.48Å; I1923-I2031 HydrophobicContact CD1-CG2 4.41Å; I1923-I2031 HydrophobicContact CG2-CD1 4.48Å; I1923-I2031 PolarHBondContact N-O 3.22Å; I1923-I2031 PolarHBondContact O-N 3Å; I1923-I2033 HydrophobicContact CD1-CD1 3.86Å; I1923-F2046 HydrophobicContact CD1-CB 3.95Å; I1923-F2046 HydrophobicContact CD1-CD1 4.46Å; I1923-F2046 HydrophobicContact CD1-CD2 3.9Å; I1923-F2046 HydrophobicContact CD1-CE2 4.48Å; I1923-F2046 HydrophobicContact CD1-CG 3.88Å; I1923-F2046 HydrophobicContact CG1-CD2 4.44Å; I1923-L2048 HydrophobicContact CD1-CD1 4.45Å; I1923-L2048 HydrophobicContact CD1-CD2 4.17Å; I1923-L2048 HydrophobicContact CG2-CD1 4.06Å; I1923-L2048 HydrophobicContact CG2-CD2 4.02Å; I1923-V2061 HydrophobicContact CD1-CG2 4.48Å; I1923-V2061 HydrophobicContact CG1-CG2 4.44Å; I1923-V2061 HydrophobicContact CG2-CG2 4.31Å |
| 1924 | D | 88.6 | Confident | 79.6 | Confident | 33.2 Ų | 33.2 | 51.7 Ų | 51.7 | 18% | 0.178 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 114.1 | 172.8 | -83.5 | -11.6 | 0 | 0 | 0 | 108.8 | A1874 S1875 R2030 | A1874-D1924 CarbonylContact C-O 3.53Å; A1874-D1924 VanDerWaalsContact CA-O 3.3Å; A1874-D1924 WeakPolarHBondContact CA-O 3.34Å; S1875-D1924 PolarHBondContact N-O 3.11Å; S1875-D1924 PolarHBondContact O-N 3.16Å; S1875-D1924 VanDerWaalsContact O-N 3.11Å; D1924-R2030 WeakPolarHBondContact OD1-CB 3.3Å; D1924-R2030 VanDerWaalsContact OD1-CG 3.29Å; D1924-R2030 WeakPolarHBondContact OD1-CG 3.31Å; D1924-R2030 IonicContact OD1-CZ 3.21Å; D1924-R2030 IonicContact OD1-NE 3.28Å; D1924-R2030 PolarHBondContact OD1-NE 3.04Å; D1924-R2030 IonicContact OD1-NH2 3.04Å; D1924-R2030 PolarHBondContact OD1-NH2 2.97Å; D1924-R2030 IonicContact OD2-CZ 3.4Å; D1924-R2030 IonicContact OD2-NE 3.24Å; D1924-R2030 PolarHBondContact OD2-NE 3.23Å; D1924-R2030 IonicContact OD2-NH2 3.15Å; D1924-R2030 PolarHBondContact OD2-NH2 3.17Å |
| 1925 | L | 90.7 | Very high | 81.9 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 122.2 | 177 | 177.4 | 69.4 | 0 | 0 | 0 | 109.3 | L1872 R1873 A1874 L1938 F2027 Q2028 V2029 L2048 I2050 I2059 | L1872-L1925 HydrophobicContact CD1-CD1 4.12Å; R1873-L1925 CarbonylContact O-C 3.52Å; R1873-L1925 WeakPolarHBondContact O-CA 3.41Å; A1874-L1925 HydrophobicContact CB-CD1 3.95Å; L1925-L1938 HydrophobicContact CD2-CD1 4Å; L1925-L1938 HydrophobicContact CD2-CD2 4.04Å; L1925-F2027 HydrophobicContact CD2-CE2 4.25Å; L1925-F2027 HydrophobicContact CG-CE2 4.18Å; L1925-Q2028 CarbonylContact O-C 3.48Å; L1925-Q2028 WeakPolarHBondContact O-CA 3.38Å; L1925-V2029 HydrophobicContact CB-CB 4.46Å; L1925-V2029 HydrophobicContact CB-CG2 3.8Å; L1925-V2029 HydrophobicContact CD2-CG2 3.91Å; L1925-V2029 HydrophobicContact CG-CG2 4.18Å; L1925-V2029 PolarHBondContact N-O 3.11Å; L1925-V2029 PolarHBondContact O-N 3.08Å; L1925-L2048 HydrophobicContact CD1-CD1 4.47Å; L1925-L2048 HydrophobicContact CD2-CD2 4.31Å; L1925-I2050 HydrophobicContact CD2-CD1 4.19Å; L1925-I2059 HydrophobicContact CD1-CD1 4.12Å |
| 1926 | T | 89.5 | Confident | 84 | Confident | 43.2 Ų | 43.2 | 42.4 Ų | 42.4 | 27% | 0.265 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 141.6 | 176.1 | 54.4 | 0 | 0 | 0 | 0 | 110.1 | Y1871 L1872 R1873 F2027 Q2028 | Y1871-T1926 CarbonylContact O-C 3.57Å; Y1871-T1926 VanDerWaalsContact O-O 3.05Å; L1872-T1926 CarbonylContact C-O 3.59Å; L1872-T1926 VanDerWaalsContact CA-O 3.3Å; L1872-T1926 WeakPolarHBondContact CA-O 3.35Å; R1873-T1926 PolarHBondContact N-O 3.34Å; R1873-T1926 PolarHBondContact O-N 3Å; R1873-T1926 PolarHBondContact O-OG1 3.26Å; T1926-F2027 WeakPolarHBondContact CA-O 3.45Å; T1926-Q2028 HydrophobicContact CG2-CB 4.01Å; T1926-Q2028 HydrophobicContact CG2-CG 3.69Å |
| 1927 | G | 89.6 | Confident | 85.6 | Confident | 6 Ų | 6 | 39 Ų | 39 | 6% | 0.062 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | -178.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y1871 K2026 F2027 | Y1871-G1927 VanDerWaalsContact O-CA 3.27Å; Y1871-G1927 WeakPolarHBondContact O-CA 3.37Å; G1927-K2026 WeakPolarHBondContact O-CA 3.41Å; G1927-F2027 VanDerWaalsContact C-CD1 3.5Å; G1927-F2027 VanDerWaalsContact C-CE1 3.42Å; G1927-F2027 VanDerWaalsContact CA-CE1 3.48Å; G1927-F2027 VanDerWaalsContact CA-CZ 3.49Å; G1927-F2027 PolarHBondContact N-O 2.87Å; G1927-F2027 WeakPolarHBondContact O-CD1 3.34Å; G1927-F2027 PolarHBondContact O-N 3.15Å |
| 1928 | Q | 89.5 | Confident | 86.8 | Confident | 29.4 Ų | 29.4 | 34 Ų | 34 | 14% | 0.137 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 146.9 | 174.3 | -170.4 | 171.4 | -58.1 | 0 | 0 | 109.8 | V1866 E1867 Y1871 R2025 K2026 | V1866-Q1928 CarbonylContact C-O 3.55Å; V1866-Q1928 WeakPolarHBondContact CA-O 3.41Å; E1867-Q1928 HydrophobicContact CB-CB 4.35Å; E1867-Q1928 VanDerWaalsContact CD-NE2 3.35Å; E1867-Q1928 HydrophobicContact CG-CB 4.39Å; E1867-Q1928 PolarHBondContact N-O 3.06Å; E1867-Q1928 WeakPolarHBondContact OE1-CG 3.47Å; E1867-Q1928 PolarHBondContact OE1-NE2 2.98Å; E1867-Q1928 VanDerWaalsContact OE1-NE2 3.1Å; E1867-Q1928 PolarHBondContact OE2-NE2 3.22Å; E1867-Q1928 VanDerWaalsContact OE2-NE2 3.12Å; Y1871-Q1928 HydrophobicContact CG-CB 4.39Å; Q1928-R2025 CarbonylContact C-O 3.47Å; Q1928-R2025 VanDerWaalsContact CA-O 3.27Å; Q1928-R2025 WeakPolarHBondContact CA-O 3.34Å; Q1928-R2025 HydrophobicContact CG-CB 3.71Å; Q1928-R2025 VanDerWaalsContact CG-CB 3.45Å; Q1928-R2025 WeakPolarHBondContact CG-O 3.14Å; Q1928-K2026 HydrophobicContact CG-CG 4.35Å |
| 1929 | V | 89 | Confident | 87.7 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | B | Isolated β-bridge | trans | -105.5 | 142.7 | 175.9 | -95.1 | 0 | 0 | 0 | 0 | 111.2 | A1864 S1865 V1866 Q1931 F1932 F1936 V2021 R2025 F2027 | A1864-V1929 HydrophobicContact CB-CB 4.31Å; A1864-V1929 HydrophobicContact CB-CG1 4.09Å; A1864-V1929 VanDerWaalsContact CB-CG1 3.4Å; S1865-V1929 CarbonylContact O-C 3.52Å; S1865-V1929 WeakPolarHBondContact O-CA 3.31Å; S1865-V1929 VanDerWaalsContact O-CG1 3.26Å; S1865-V1929 WeakPolarHBondContact O-CG1 3.32Å; V1866-V1929 HydrophobicContact CG2-CG1 4.37Å; V1929-Q1931 VanDerWaalsContact C-N 3.29Å; V1929-Q1931 VanDerWaalsContact CG1-O 3.3Å; V1929-Q1931 WeakPolarHBondContact CG1-O 3.25Å; V1929-Q1931 VanDerWaalsContact CG2-O 3.31Å; V1929-Q1931 WeakPolarHBondContact CG2-O 3.43Å; V1929-Q1931 PolarHBondContact O-N 3.16Å; V1929-F1932 HydrophobicContact CG2-CB 4.26Å; V1929-F1936 HydrophobicContact CG1-CD1 4.12Å; V1929-F1936 HydrophobicContact CG1-CE1 4.24Å; V1929-F1936 HydrophobicContact CG2-CD1 4.5Å; V1929-F1936 HydrophobicContact CG2-CE1 4.27Å; V1929-V2021 HydrophobicContact CG1-CB 4.49Å; V1929-V2021 HydrophobicContact CG1-CG2 4.21Å; V1929-V2021 HydrophobicContact CG2-CB 4.11Å; V1929-V2021 HydrophobicContact CG2-CG1 4.13Å; V1929-V2021 HydrophobicContact CG2-CG2 3.95Å; V1929-R2025 HydrophobicContact CG2-CB 4.4Å; V1929-R2025 WeakPolarHBondContact CG2-O 3.26Å; V1929-R2025 PolarHBondContact N-O 3.2Å; V1929-R2025 PolarHBondContact O-NH1 2.93Å; V1929-F2027 HydrophobicContact CG1-CD1 4.26Å; V1929-F2027 HydrophobicContact CG1-CE1 4.27Å; V1929-F2027 HydrophobicContact CG2-CD1 3.95Å; V1929-F2027 HydrophobicContact CG2-CE1 3.82Å |
| 1930 | D | 87.4 | Confident | 88.2 | Confident | 60.2 Ų | 60.2 | 28.5 Ų | 28.5 | 32% | 0.322 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -64.7 | -34.5 | -179.8 | 109.1 | -1.5 | 0 | 0 | 0 | 112.9 | A1864 S1865 E1867 R2025 | A1864-D1930 WeakPolarHBondContact CB-OD1 3.49Å; S1865-D1930 WeakPolarHBondContact CB-OD2 3.1Å; S1865-D1930 PolarHBondContact N-OD1 3.24Å; S1865-D1930 PolarHBondContact O-N 3.18Å; S1865-D1930 VanDerWaalsContact O-OD1 3.08Å; S1865-D1930 VanDerWaalsContact OG-CB 3.31Å; S1865-D1930 WeakPolarHBondContact OG-CB 3.3Å; E1867-D1930 HydrophobicContact CG-CB 4.37Å; D1930-R2025 VanDerWaalsContact O-CZ 3.32Å; D1930-R2025 PolarHBondContact O-NH1 3.04Å; D1930-R2025 PolarHBondContact O-NH2 3.02Å; D1930-R2025 VanDerWaalsContact O-NH2 3.1Å |
| 1931 | Q | 84.9 | Confident | 88.3 | Confident | 116.2 Ų | 116.2 | 29.3 Ų | 29.3 | 54% | 0.543 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -133.2 | 142.2 | -179.1 | -56.8 | 177.9 | 35.2 | 0 | 0 | 110.6 | P1863 A1864 V1929 G1934 | P1863-Q1931 PolarHBondContact O-NE2 2.04Å; A1864-Q1931 HydrophobicContact CB-CB 4.28Å; A1864-Q1931 HydrophobicContact CB-CG 3.71Å; A1864-Q1931 WeakPolarHBondContact CB-O 3.43Å; V1929-Q1931 VanDerWaalsContact C-N 3.29Å; V1929-Q1931 VanDerWaalsContact CG1-O 3.3Å; V1929-Q1931 WeakPolarHBondContact CG1-O 3.25Å; V1929-Q1931 VanDerWaalsContact CG2-O 3.31Å; V1929-Q1931 WeakPolarHBondContact CG2-O 3.43Å; V1929-Q1931 PolarHBondContact O-N 3.16Å; Q1931-G1934 WeakPolarHBondContact O-CA 3.37Å |
| 1932 | F | 82.2 | Confident | 88.1 | Confident | 91.2 Ų | 91.2 | 30.2 Ų | 30.2 | 40% | 0.4 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -138.5 | 138.1 | -177 | 111.5 | -80.6 | 0 | 0 | 0 | 110.4 | V1929 V2021 F2022 E2023 E2024 R2025 | V1929-F1932 HydrophobicContact CG2-CB 4.26Å; F1932-V2021 HydrophobicContact CD2-CG1 4.18Å; F1932-V2021 WeakPolarHBondContact CD2-O 3.44Å; F1932-V2021 HydrophobicContact CE2-CG1 4.38Å; F1932-V2021 WeakPolarHBondContact CE2-O 3.47Å; F1932-F2022 VanDerWaalsContact CE2-CA 3.44Å; F1932-F2022 WeakPolarHBondContact CE2-O 3.46Å; F1932-F2022 VanDerWaalsContact CZ-O 3.24Å; F1932-F2022 WeakPolarHBondContact CZ-O 3.37Å; F1932-E2023 WeakPolarHBondContact CE2-O 3.28Å; F1932-E2023 VanDerWaalsContact CZ-N 3.34Å; F1932-E2023 VanDerWaalsContact CZ-O 3.32Å; F1932-E2023 WeakPolarHBondContact CZ-O 3.32Å; F1932-E2024 WeakPolarHBondContact CD2-O 3.29Å; F1932-E2024 VanDerWaalsContact CE2-C 3.48Å; F1932-E2024 VanDerWaalsContact CE2-O 3.25Å; F1932-E2024 WeakPolarHBondContact CE2-O 3.28Å; F1932-R2025 HydrophobicContact CB-CG 4.26Å; F1932-R2025 HydrophobicContact CD1-CB 4.39Å; F1932-R2025 HydrophobicContact CD1-CG 3.2Å; F1932-R2025 HydrophobicContact CE1-CG 3.62Å; F1932-R2025 HydrophobicContact CG-CG 4Å |
| 1933 | P | 83.1 | Confident | 87.5 | Confident | 67.6 Ų | 67.6 | 30.7 Ų | 30.7 | 44% | 0.439 | 16% | 0.155 | S | C | . | . | S | Bend | cis | -71 | 140.4 | -1.7 | 32.5 | -36.6 | 0 | 0 | 0 | 112 | F1861 V2021 F2022 | F1861-P1933 HydrophobicContact CD1-CB 3.77Å; F1861-P1933 HydrophobicContact CD1-CG 4.06Å; F1861-P1933 HydrophobicContact CE1-CB 3.87Å; F1861-P1933 HydrophobicContact CE1-CG 4.25Å; P1933-V2021 CarbonylContact C-O 3.55Å; P1933-V2021 VanDerWaalsContact CA-O 3.26Å; P1933-V2021 WeakPolarHBondContact CA-O 3.34Å; P1933-V2021 WeakPolarHBondContact CB-O 3.46Å; P1933-F2022 HydrophobicContact CB-CB 4.02Å; P1933-F2022 HydrophobicContact CB-CD1 3.87Å; P1933-F2022 HydrophobicContact CB-CE1 4.4Å |
| 1934 | G | 85 | Confident | 86.1 | Confident | 0.6 Ų | 0.6 | 34.1 Ų | 34.1 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 151.1 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y1862 A1864 Q1931 G2020 V2021 | Y1862-G1934 CarbonylContact O-C 3.53Å; Y1862-G1934 WeakPolarHBondContact O-CA 3.48Å; A1864-G1934 VanDerWaalsContact CB-CA 3.46Å; Q1931-G1934 WeakPolarHBondContact O-CA 3.37Å; G1934-G2020 CarbonylContact O-C 3.54Å; G1934-G2020 WeakPolarHBondContact O-CA 3.24Å; G1934-V2021 PolarHBondContact N-O 3.07Å; G1934-V2021 VanDerWaalsContact N-O 3.14Å; G1934-V2021 PolarHBondContact O-N 3.04Å |
| 1935 | L | 89.6 | Confident | 84.4 | Confident | 17.2 Ų | 17.2 | 36.7 Ų | 36.7 | 9% | 0.09 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 135.4 | -179.2 | 179.7 | 71 | 0 | 0 | 0 | 111.4 | L1857 G1858 F1861 Y1862 P1863 A1864 D2018 V2019 | L1857-L1935 HydrophobicContact CB-CD1 3.7Å; L1857-L1935 HydrophobicContact CB-CD2 4.3Å; L1857-L1935 HydrophobicContact CD1-CD1 4.39Å; L1857-L1935 HydrophobicContact CG-CD1 4.48Å; G1858-L1935 VanDerWaalsContact CA-CD2 3.46Å; F1861-L1935 HydrophobicContact CB-CB 4.09Å; Y1862-L1935 WeakPolarHBondContact O-CB 3.27Å; Y1862-L1935 PolarHBondContact O-N 3.12Å; P1863-L1935 CarbonylContact C-O 3.59Å; P1863-L1935 VanDerWaalsContact CA-O 3.26Å; P1863-L1935 WeakPolarHBondContact CA-O 3.23Å; A1864-L1935 PolarHBondContact N-O 3.27Å; L1935-D2018 HydrophobicContact CD1-CB 4.21Å; L1935-V2019 WeakPolarHBondContact CA-O 3.44Å; L1935-V2019 WeakPolarHBondContact CD1-O 3.46Å |
| 1936 | F | 90.9 | Very high | 82.2 | Confident | 4.2 Ų | 4.2 | 44 Ų | 44 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 162.7 | 163.5 | 64.2 | -94.1 | 0 | 0 | 0 | 109.9 | V1866 V1929 L1938 V2019 V2021 F2027 I2050 L2051 D2052 | V1866-F1936 HydrophobicContact CG2-CB 4.4Å; V1866-F1936 HydrophobicContact CG2-CD1 3.96Å; V1866-F1936 HydrophobicContact CG2-CE1 4.35Å; V1866-F1936 HydrophobicContact CG2-CG 4.1Å; V1929-F1936 HydrophobicContact CG1-CD1 4.12Å; V1929-F1936 HydrophobicContact CG1-CE1 4.24Å; V1929-F1936 HydrophobicContact CG2-CD1 4.5Å; V1929-F1936 HydrophobicContact CG2-CE1 4.27Å; F1936-L1938 HydrophobicContact CE2-CB 4.41Å; F1936-V2019 HydrophobicContact CD2-CB 4.16Å; F1936-V2019 HydrophobicContact CD2-CG2 4.39Å; F1936-V2019 HydrophobicContact CE1-CB 4.22Å; F1936-V2019 HydrophobicContact CE1-CG1 4.01Å; F1936-V2019 HydrophobicContact CE2-CB 3.74Å; F1936-V2019 HydrophobicContact CE2-CG1 4.08Å; F1936-V2019 HydrophobicContact CE2-CG2 4.03Å; F1936-V2019 HydrophobicContact CG-CB 4.5Å; F1936-V2019 HydrophobicContact CZ-CB 3.77Å; F1936-V2019 HydrophobicContact CZ-CG1 3.61Å; F1936-V2019 HydrophobicContact CZ-CG2 4.4Å; F1936-V2019 PolarHBondContact N-O 3.03Å; F1936-V2019 VanDerWaalsContact N-O 3.11Å; F1936-V2019 WeakPolarHBondContact O-CA 3.31Å; F1936-V2019 PolarHBondContact O-N 3.18Å; F1936-V2019 VanDerWaalsContact O-O 3.12Å; F1936-V2021 HydrophobicContact CD1-CG2 4.41Å; F1936-V2021 HydrophobicContact CE1-CG2 3.8Å; F1936-F2027 AromaticContact CE1-CD1 3.89Å; F1936-F2027 HydrophobicContact CE1-CD1 3.93Å; F1936-F2027 HydrophobicContact CE1-CD2 4.4Å; F1936-F2027 AromaticContact CE1-CE1 3.83Å; F1936-F2027 HydrophobicContact CE1-CE1 3.83Å; F1936-F2027 HydrophobicContact CE1-CE2 4.32Å; F1936-F2027 HydrophobicContact CE1-CG 4.2Å; F1936-F2027 AromaticContact CE1-CZ 3.99Å; F1936-F2027 HydrophobicContact CE1-CZ 4.03Å; F1936-F2027 HydrophobicContact CE2-CE2 4.41Å; F1936-F2027 HydrophobicContact CE2-CZ 4.45Å; F1936-F2027 HydrophobicContact CZ-CD1 4.21Å; F1936-F2027 AromaticContact CZ-CD2 3.85Å; F1936-F2027 HydrophobicContact CZ-CD2 3.89Å; F1936-F2027 AromaticContact CZ-CE1 3.95Å; F1936-F2027 HydrophobicContact CZ-CE1 4.02Å; F1936-F2027 AromaticContact CZ-CE2 3.68Å; F1936-F2027 HydrophobicContact CZ-CE2 3.68Å; F1936-F2027 AromaticContact CZ-CG 3.93Å; F1936-F2027 HydrophobicContact CZ-CG 4.14Å; F1936-F2027 AromaticContact CZ-CZ 3.74Å; F1936-F2027 HydrophobicContact CZ-CZ 3.74Å; F1936-I2050 HydrophobicContact CB-CG2 4.21Å; F1936-I2050 HydrophobicContact CD2-CG2 3.7Å; F1936-I2050 HydrophobicContact CE2-CG2 4.39Å; F1936-I2050 HydrophobicContact CG-CG2 4.18Å; F1936-L2051 WeakPolarHBondContact CA-O 3.32Å; F1936-L2051 WeakPolarHBondContact CB-O 3.34Å; F1936-D2052 HydrophobicContact CB-CB 4.38Å |
| 1937 | R | 91.5 | Very high | 79.8 | Confident | 83.8 Ų | 83.8 | 48.2 Ų | 48.2 | 32% | 0.316 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 134.8 | 177.6 | -176.8 | 174.4 | 178.3 | -173.3 | 2.4 | 110.5 | R1297 L1939 D2016 Y2017 D2018 I2050 L2051 | R1297-R1937 VanDerWaalsContact NH1-NH1 3.2Å; R1937-L1939 HydrophobicContact CG-CD2 4.39Å; R1937-D2016 IonicContact CZ-OD1 3.2Å; R1937-D2016 IonicContact CZ-OD2 3.26Å; R1937-D2016 IonicContact NE-OD1 3.28Å; R1937-D2016 PolarHBondContact NE-OD1 3.14Å; R1937-D2016 IonicContact NE-OD2 3.27Å; R1937-D2016 VanDerWaalsContact NH2-CG 3.3Å; R1937-D2016 IonicContact NH2-OD1 3.14Å; R1937-D2016 PolarHBondContact NH2-OD1 2.99Å; R1937-D2016 VanDerWaalsContact NH2-OD1 3.12Å; R1937-D2016 IonicContact NH2-OD2 3.22Å; R1937-D2016 PolarHBondContact NH2-OD2 3.11Å; R1937-Y2017 CarbonylContact C-O 3.54Å; R1937-Y2017 WeakPolarHBondContact CA-O 3.29Å; R1937-Y2017 WeakPolarHBondContact CG-O 3.44Å; R1937-D2018 WeakPolarHBondContact CD-OD1 3.28Å; R1937-D2018 WeakPolarHBondContact CG-OD1 3.38Å; R1937-D2018 IonicContact NE-OD1 3.22Å; R1937-I2050 CarbonylContact O-C 3.56Å; R1937-I2050 WeakPolarHBondContact O-CA 3.32Å; R1937-L2051 HydrophobicContact CB-CB 4.27Å; R1937-L2051 PolarHBondContact N-O 3.04Å; R1937-L2051 PolarHBondContact O-N 3.13Å |
| 1938 | L | 91.8 | Very high | 77.2 | Confident | 1.2 Ų | 1.2 | 55 Ų | 55 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 120.4 | -176.9 | 176.9 | 63.8 | 0 | 0 | 0 | 110.2 | L1925 F1936 V1940 Y2017 V2019 V2029 I2031 L2048 I2050 | L1925-L1938 HydrophobicContact CD2-CD1 4Å; L1925-L1938 HydrophobicContact CD2-CD2 4.04Å; F1936-L1938 HydrophobicContact CE2-CB 4.41Å; L1938-V1940 HydrophobicContact CG-CG2 4.46Å; L1938-Y2017 PolarHBondContact N-O 3.05Å; L1938-Y2017 PolarHBondContact O-N 3.16Å; L1938-V2019 HydrophobicContact CB-CG2 4.13Å; L1938-V2029 HydrophobicContact CD2-CG1 4.26Å; L1938-V2029 HydrophobicContact CD2-CG2 4.31Å; L1938-I2031 HydrophobicContact CD2-CD1 4.09Å; L1938-L2048 HydrophobicContact CD1-CB 4.32Å; L1938-L2048 HydrophobicContact CD1-CD2 4.11Å; L1938-I2050 HydrophobicContact CD1-CG1 3.85Å |
| 1939 | L | 91.3 | Very high | 74.7 | Confident | 13.2 Ų | 13.2 | 58.1 Ų | 58.1 | 7% | 0.069 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 139.1 | 176.3 | -58.7 | 164 | 0 | 0 | 0 | 109.2 | R1937 Y1941 P2013 L2015 D2016 L2048 V2049 L2051 | R1937-L1939 HydrophobicContact CG-CD2 4.39Å; L1939-Y1941 HydrophobicContact CB-CD2 4.45Å; L1939-Y1941 HydrophobicContact CB-CE2 3.67Å; L1939-Y1941 HydrophobicContact CD1-CE2 4.41Å; L1939-Y1941 WeakPolarHBondContact CD1-OH 3.35Å; L1939-P2013 HydrophobicContact CB-CB 4.48Å; L1939-P2013 HydrophobicContact CD2-CB 4.22Å; L1939-P2013 HydrophobicContact CD2-CG 4.08Å; L1939-L2015 CarbonylContact C-O 3.51Å; L1939-L2015 WeakPolarHBondContact CA-O 3.25Å; L1939-D2016 HydrophobicContact CD2-CB 3.78Å; L1939-D2016 VanDerWaalsContact CD2-CG 3.46Å; L1939-D2016 VanDerWaalsContact CD2-OD1 3.27Å; L1939-D2016 WeakPolarHBondContact CD2-OD1 3.3Å; L1939-L2048 CarbonylContact O-C 3.56Å; L1939-L2048 WeakPolarHBondContact O-CA 3.4Å; L1939-V2049 HydrophobicContact CB-CB 4.18Å; L1939-V2049 HydrophobicContact CD1-CB 4.46Å; L1939-V2049 PolarHBondContact N-O 3.12Å; L1939-V2049 PolarHBondContact O-N 3.18Å; L1939-L2051 HydrophobicContact CD1-CD1 3.79Å; L1939-L2051 HydrophobicContact CD1-CG 4.31Å |
| 1940 | V | 90 | Very high | 72.1 | Confident | 0.8 Ų | 0.8 | 64.9 Ų | 64.9 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 123.9 | 178.4 | -173.3 | 0 | 0 | 0 | 0 | 109.8 | I1923 L1938 P2013 L2014 L2015 I2031 I2033 F2046 L2048 | I1923-V1940 HydrophobicContact CD1-CG1 4.36Å; L1938-V1940 HydrophobicContact CG-CG2 4.46Å; V1940-P2013 CarbonylContact O-C 3.52Å; V1940-L2014 WeakPolarHBondContact O-CA 3.36Å; V1940-L2014 VanDerWaalsContact O-CB 3.3Å; V1940-L2014 WeakPolarHBondContact O-CB 3.35Å; V1940-L2014 PolarHBondContact O-N 3.29Å; V1940-L2015 HydrophobicContact CB-CB 4.06Å; V1940-L2015 HydrophobicContact CB-CD1 4.16Å; V1940-L2015 HydrophobicContact CB-CG 4.47Å; V1940-L2015 HydrophobicContact CG1-CD1 4.27Å; V1940-L2015 HydrophobicContact CG2-CB 4Å; V1940-L2015 HydrophobicContact CG2-CD1 4.05Å; V1940-L2015 HydrophobicContact CG2-CG 4.5Å; V1940-L2015 PolarHBondContact N-O 2.98Å; V1940-L2015 PolarHBondContact O-N 3.13Å; V1940-I2031 HydrophobicContact CG2-CD1 3.77Å; V1940-I2033 HydrophobicContact CG1-CD1 4.34Å; V1940-F2046 HydrophobicContact CG1-CD1 4.42Å; V1940-L2048 HydrophobicContact CB-CD2 4.29Å; V1940-L2048 HydrophobicContact CG1-CD2 4.14Å; V1940-L2048 HydrophobicContact CG2-CD2 3.76Å; V1940-L2048 HydrophobicContact CG2-CG 4.42Å |
| 1941 | Y | 87.2 | Confident | 69.6 | Low | 28.4 Ų | 28.4 | 68.9 Ų | 68.9 | 11% | 0.111 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 143.7 | 178.7 | -59.9 | -93.7 | 0 | 0 | 0 | 110.8 | L1939 D1943 E2011 P2013 F2046 R2047 V2049 | L1939-Y1941 HydrophobicContact CB-CD2 4.45Å; L1939-Y1941 HydrophobicContact CB-CE2 3.67Å; L1939-Y1941 HydrophobicContact CD1-CE2 4.41Å; L1939-Y1941 WeakPolarHBondContact CD1-OH 3.35Å; Y1941-D1943 PolarHBondContact O-N 3.01Å; Y1941-E2011 HydrophobicContact CD1-CB 4.46Å; Y1941-E2011 WeakPolarHBondContact CE1-O 3.26Å; Y1941-P2013 HydrophobicContact CD1-CB 4.13Å; Y1941-P2013 VanDerWaalsContact CE1-CA 3.48Å; Y1941-P2013 HydrophobicContact CE1-CB 3.67Å; Y1941-P2013 HydrophobicContact CE1-CG 4.28Å; Y1941-P2013 HydrophobicContact CE2-CB 4.31Å; Y1941-F2046 WeakPolarHBondContact O-CA 3.22Å; Y1941-R2047 PolarHBondContact N-O 2.94Å; Y1941-R2047 PolarHBondContact O-N 3.04Å; Y1941-V2049 HydrophobicContact CD2-CG2 3.94Å; Y1941-V2049 HydrophobicContact CE2-CB 4.26Å; Y1941-V2049 HydrophobicContact CE2-CG2 3.76Å |
| 1942 | P | 81.2 | Confident | 67 | Low | 26.8 Ų | 26.8 | 66.8 Ų | 66.8 | 17% | 0.174 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 127 | 167.1 | 29.8 | -26.2 | 0 | 0 | 0 | 108.8 | N1944 L2014 | P1942-N1944 PolarHBondContact O-N 3Å; P1942-L2014 HydrophobicContact CB-CD1 4.03Å; P1942-L2014 HydrophobicContact CG-CD1 3.98Å; P1942-L2014 HydrophobicContact CG-CG 4.18Å |
| 1943 | D | 74.3 | Confident | 64.7 | Low | 21.2 Ų | 21.2 | 73.3 Ų | 73.3 | 11% | 0.113 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 96.8 | 177.2 | -172.6 | 40.8 | 0 | 0 | 0 | 107.7 | Y1941 V1945 K2044 S2045 R2047 R2060 | Y1941-D1943 PolarHBondContact O-N 3.01Å; D1943-V1945 PolarHBondContact O-N 3.16Å; D1943-K2044 PolarHBondContact O-NZ 2.83Å; D1943-S2045 WeakPolarHBondContact CB-O 3.25Å; D1943-S2045 VanDerWaalsContact CB-OG 3.28Å; D1943-S2045 WeakPolarHBondContact CB-OG 3.44Å; D1943-S2045 VanDerWaalsContact CG-OG 3.28Å; D1943-S2045 PolarHBondContact N-O 3.04Å; D1943-S2045 VanDerWaalsContact N-O 3.16Å; D1943-S2045 PolarHBondContact O-OG 3.19Å; D1943-S2045 VanDerWaalsContact OD2-CB 3.26Å; D1943-S2045 WeakPolarHBondContact OD2-CB 3.24Å; D1943-S2045 PolarHBondContact OD2-OG 3.3Å; D1943-R2047 HydrophobicContact CB-CB 4.32Å; D1943-R2060 IonicContact OD1-CZ 2.81Å; D1943-R2060 IonicContact OD1-NE 3Å; D1943-R2060 PolarHBondContact OD1-NE 3.17Å; D1943-R2060 IonicContact OD1-NH2 3.49Å; D1943-R2060 PolarHBondContact OD1-NH2 3.27Å; D1943-R2060 IonicContact OD2-CZ 3.41Å; D1943-R2060 IonicContact OD2-NE 3.38Å; D1943-R2060 PolarHBondContact OD2-NE 3.19Å; D1943-R2060 IonicContact OD2-NH2 3.27Å; D1943-R2060 PolarHBondContact OD2-NH2 2.94Å |
| 1944 | N | 61.8 | Low | 62.2 | Low | 71.2 Ų | 71.2 | 76.9 Ų | 76.9 | 38% | 0.381 | 41% | 0.41 | S | S | . | . | trans | -90.6 | 96.7 | 179.4 | -67.9 | -24.5 | 0 | 0 | 0 | 108.5 | P1942 E1946 K2044 | P1942-N1944 PolarHBondContact O-N 3Å; N1944-E1946 VanDerWaalsContact C-N 3.32Å; N1944-E1946 PolarHBondContact O-N 3.25Å; N1944-K2044 PolarHBondContact OD1-NZ 3.1Å | ||
| 1945 | V | 52.2 | Low | 59.6 | Low | 88.4 Ų | 88.4 | 86.9 Ų | 86.9 | 54% | 0.536 | 45% | 0.448 | S | S | . | . | trans | -72.8 | 92.2 | 169.6 | -174.8 | 0 | 0 | 0 | 0 | 107.6 | D1943 D1947 | D1943-V1945 PolarHBondContact O-N 3.16Å; V1945-D1947 PolarHBondContact O-N 3.01Å | ||
| 1946 | E | 44 | Very low | 56.8 | Low | 154.2 Ų | 154.2 | 92.7 Ų | 92.7 | 72% | 0.721 | 48% | 0.48 | S | S | * | . | trans | -77.8 | 115.2 | 164.1 | -69.1 | -172.5 | 162 | 0 | 0 | 107.2 | R1273 N1944 D1948 | R1273-E1946 IonicContact NH2-OE1 3.18Å; R1273-E1946 PolarHBondContact NH2-OE1 3.31Å; N1944-E1946 VanDerWaalsContact C-N 3.32Å; N1944-E1946 PolarHBondContact O-N 3.25Å; E1946-D1948 VanDerWaalsContact C-N 3.29Å; E1946-D1948 PolarHBondContact O-N 3Å | ||
| 1947 | D | 39.2 | Very low | 54 | Low | 130.6 Ų | 130.6 | 99.3 Ų | 99.3 | 70% | 0.698 | 51% | 0.514 | S | S | * | . | trans | -64.6 | 98.1 | 168.1 | -84 | -47.7 | 0 | 0 | 0 | 107.4 | V1945 S1949 | V1945-D1947 PolarHBondContact O-N 3.01Å; D1947-S1949 VanDerWaalsContact C-N 3.34Å; D1947-S1949 PolarHBondContact O-N 3.1Å; D1947-S1949 PolarHBondContact O-OG 3.13Å | ||
| 1948 | D | 35.2 | Very low | 51.1 | Low | 148.6 Ų | 148.6 | 102.4 Ų | 102.4 | 80% | 0.795 | 54% | 0.536 | S | S | * | . | trans | -63.1 | 74.8 | 171.4 | -108.3 | -19.7 | 0 | 0 | 0 | 109.9 | E1946 D1950 | E1946-D1948 VanDerWaalsContact C-N 3.29Å; E1946-D1948 PolarHBondContact O-N 3Å; D1948-D1950 PolarHBondContact O-N 3.14Å; D1948-D1950 VanDerWaalsContact O-N 3.07Å | ||
| 1949 | S | 37.7 | Very low | 48.1 | Very low | 94.4 Ų | 94.4 | 108.9 Ų | 108.9 | 66% | 0.66 | 58% | 0.576 | S | S | * | * | trans | -104 | 75.9 | 175.9 | 52.4 | 0 | 0 | 0 | 0 | 109.9 | D1947 D1951 | D1947-S1949 VanDerWaalsContact C-N 3.34Å; D1947-S1949 PolarHBondContact O-N 3.1Å; D1947-S1949 PolarHBondContact O-OG 3.13Å; S1949-D1951 PolarHBondContact O-N 2.95Å | ||
| 1950 | D | 33.3 | Very low | 45.2 | Very low | 142.4 Ų | 142.4 | 113.1 Ų | 113.1 | 76% | 0.761 | 61% | 0.606 | S | S | * | * | trans | 15.4 | 103.8 | 161.3 | -136.9 | 0.1 | 0 | 0 | 0 | 115.1 | D1948 G1952 R2309 | D1948-D1950 PolarHBondContact O-N 3.14Å; D1948-D1950 VanDerWaalsContact O-N 3.07Å; D1950-G1952 VanDerWaalsContact C-N 3.33Å; D1950-G1952 PolarHBondContact O-N 3.02Å; D1950-G1952 VanDerWaalsContact O-N 3.11Å; D1950-R2309 IonicContact OD1-CZ 3.03Å; D1950-R2309 IonicContact OD1-NH1 3.27Å; D1950-R2309 PolarHBondContact OD1-NH1 2.79Å; D1950-R2309 IonicContact OD1-NH2 2.67Å; D1950-R2309 PolarHBondContact OD1-NH2 2.78Å; D1950-R2309 IonicContact OD2-CZ 3.89Å; D1950-R2309 IonicContact OD2-NH1 2.91Å; D1950-R2309 PolarHBondContact OD2-NH1 2.8Å; D1950-R2309 IonicContact OD2-NH2 3.91Å | ||
| 1951 | D | 35.4 | Very low | 42.3 | Very low | 145.4 Ų | 145.4 | 120.5 Ų | 120.5 | 78% | 0.778 | 65% | 0.646 | S | S | * | * | trans | -45.7 | 84.1 | 162.4 | -112.2 | -11.6 | 0 | 0 | 0 | 114 | S1949 R1953 | S1949-D1951 PolarHBondContact O-N 2.95Å; D1951-R1953 PolarHBondContact O-N 3.07Å; D1951-R1953 VanDerWaalsContact O-N 3.13Å; D1951-R1953 IonicContact OD2-NH2 3.63Å; D1951-R1953 PolarHBondContact OD2-NH2 2.95Å | ||
| 1952 | G | 31.2 | Very low | 39.5 | Very low | 71.2 Ų | 71.2 | 123.7 Ų | 123.7 | 73% | 0.734 | 67% | 0.673 | S | S | * | * | trans | -49.2 | 103.2 | 163 | 0 | 0 | 0 | 0 | 0 | 114.4 | D1950 N1954 | D1950-G1952 VanDerWaalsContact C-N 3.33Å; D1950-G1952 PolarHBondContact O-N 3.02Å; D1950-G1952 VanDerWaalsContact O-N 3.11Å; G1952-N1954 VanDerWaalsContact C-N 3.25Å; G1952-N1954 PolarHBondContact O-N 2.96Å | ||
| 1953 | R | 32.6 | Very low | 37.1 | Very low | 228.6 Ų | 228.6 | 129 Ų | 129 | 86% | 0.863 | 70% | 0.699 | S | S | * | * | trans | -116.4 | 100.9 | 158.2 | -100.8 | -175 | -136.1 | 179.7 | 4.1 | 111.5 | D1951 Y1955 | D1951-R1953 PolarHBondContact O-N 3.07Å; D1951-R1953 VanDerWaalsContact O-N 3.13Å; D1951-R1953 IonicContact OD2-NH2 3.63Å; D1951-R1953 PolarHBondContact OD2-NH2 2.95Å; R1953-Y1955 PolarHBondContact O-N 3.28Å | ||
| 1954 | N | 30.4 | Very low | 34.9 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 77% | 0.765 | 73% | 0.731 | S | S | * | * | trans | -52.7 | 114.9 | 165.3 | -119.7 | -14.2 | 0 | 0 | 0 | 112.5 | G1952 N1956 | G1952-N1954 VanDerWaalsContact C-N 3.25Å; G1952-N1954 PolarHBondContact O-N 2.96Å; N1954-N1956 PolarHBondContact O-N 2.9Å; N1954-N1956 PolarHBondContact OD1-ND2 3.35Å; N1954-N1956 VanDerWaalsContact OD1-ND2 3.13Å; N1954-N1956 PolarHBondContact OD1-OD1 2.81Å | ||
| 1955 | Y | 31.7 | Very low | 33.3 | Very low | 209.8 Ų | 209.8 | 141.5 Ų | 141.5 | 82% | 0.823 | 75% | 0.752 | S | S | * | * | trans | -116.1 | 107 | 155.1 | -111.8 | -87 | 0 | 0 | 0 | 110.2 | R1953 I1957 | R1953-Y1955 PolarHBondContact O-N 3.28Å; Y1955-I1957 HydrophobicContact CD1-CD1 4.15Å; Y1955-I1957 HydrophobicContact CD1-CG1 4.11Å; Y1955-I1957 HydrophobicContact CE1-CD1 3.95Å; Y1955-I1957 HydrophobicContact CE1-CG1 4.48Å; Y1955-I1957 PolarHBondContact O-N 3.37Å | ||
| 1956 | N | 30.5 | Very low | 32.2 | Very low | 139.4 Ų | 139.4 | 142.9 Ų | 142.9 | 75% | 0.745 | 76% | 0.763 | S | S | * | * | trans | -85.1 | 102 | 163.5 | -74.2 | -31.9 | 0 | 0 | 0 | 109.5 | N1954 N1958 | N1954-N1956 PolarHBondContact O-N 2.9Å; N1954-N1956 PolarHBondContact OD1-ND2 3.35Å; N1954-N1956 VanDerWaalsContact OD1-ND2 3.13Å; N1954-N1956 PolarHBondContact OD1-OD1 2.81Å; N1956-N1958 PolarHBondContact O-N 3.12Å | ||
| 1957 | I | 32.3 | Very low | 31.5 | Very low | 143.2 Ų | 143.2 | 147 Ų | 147 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | -133.8 | 119 | 144.9 | -69.8 | 173.4 | 0 | 0 | 0 | 109.5 | Y1955 V1959 | Y1955-I1957 HydrophobicContact CD1-CD1 4.15Å; Y1955-I1957 HydrophobicContact CD1-CG1 4.11Å; Y1955-I1957 HydrophobicContact CE1-CD1 3.95Å; Y1955-I1957 HydrophobicContact CE1-CG1 4.48Å; Y1955-I1957 PolarHBondContact O-N 3.37Å; I1957-V1959 PolarHBondContact O-N 2.58Å | ||
| 1958 | N | 30 | Very low | 30.9 | Very low | 148.4 Ų | 148.4 | 148 Ų | 148 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | -27.5 | 126.6 | 175.1 | -66.8 | -28.5 | 0 | 0 | 0 | 114.5 | N1956 S1960 | N1956-N1958 PolarHBondContact O-N 3.12Å; N1958-S1960 PolarHBondContact O-N 3.05Å; N1958-S1960 VanDerWaalsContact O-N 3.11Å | ||
| 1959 | V | 28.5 | Very low | 30.5 | Very low | 137.4 Ų | 137.4 | 152.1 Ų | 152.1 | 83% | 0.833 | 78% | 0.781 | S | S | * | * | trans | -25.6 | 107.6 | 152.7 | -179.8 | 0 | 0 | 0 | 0 | 112 | I1957 | I1957-V1959 PolarHBondContact O-N 2.58Š| ||
| 1960 | S | 29.6 | Very low | 30.1 | Very low | 101.6 Ų | 101.6 | 155.6 Ų | 155.6 | 71% | 0.71 | 79% | 0.787 | S | S | * | * | trans | -175.7 | 117.6 | 141.2 | 42.7 | 0 | 0 | 0 | 0 | 114.2 | N1958 | N1958-S1960 PolarHBondContact O-N 3.05Å; N1958-S1960 VanDerWaalsContact O-N 3.11Å | ||
| 1961 | N | 29.6 | Very low | 29.8 | Very low | 156.4 Ų | 156.4 | 155.8 Ų | 155.8 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | 66.1 | 121.6 | 156.2 | -64.3 | -14.6 | 0 | 0 | 0 | 119.2 | ||||
| 1962 | S | 29.3 | Very low | 29.4 | Very low | 96.4 Ų | 96.4 | 155.4 Ų | 155.4 | 67% | 0.674 | 79% | 0.791 | S | S | * | * | 104 | 115.7 | 111.1 | 78.9 | 0 | 0 | 0 | 0 | 115.4 | Y1964 | S1962-Y1964 PolarHBondContact O-N 3.4Š| |||
| 1963 | N | 29.4 | Very low | 29.2 | Very low | 136.2 Ų | 136.2 | 161.1 Ų | 161.1 | 73% | 0.728 | 80% | 0.799 | S | S | * | * | trans | -86.5 | 115.4 | 139.4 | -76.5 | -21.1 | 0 | 0 | 0 | 114.7 | ||||
| 1964 | Y | 28.9 | Very low | 28.9 | Very low | 199.8 Ų | 199.8 | 155.5 Ų | 155.5 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | trans | -123.7 | 123.5 | 156.5 | -78.1 | -76.7 | 0 | 0 | 0 | 112.6 | S1962 | S1962-Y1964 PolarHBondContact O-N 3.4Š| ||
| 1965 | L | 29.1 | Very low | 28.7 | Very low | 155.4 Ų | 155.4 | 157.5 Ų | 157.5 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | trans | -90 | 126.3 | 157 | -84.6 | 152.3 | 0 | 0 | 0 | 112.4 | R1967 | L1965-R1967 PolarHBondContact O-N 2.95Å; L1965-R1967 VanDerWaalsContact O-N 3.11Å | ||
| 1966 | P | 29.2 | Very low | 28.5 | Very low | 118.6 Ų | 118.6 | 152.3 Ų | 152.3 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | -82.1 | 139.6 | 178.3 | 32 | -30.6 | 0 | 0 | 0 | 111.3 | N1968 | P1966-N1968 PolarHBondContact O-N 3.03Å; P1966-N1968 VanDerWaalsContact O-N 3.14Å | ||
| 1967 | R | 27.9 | Very low | 28.4 | Very low | 240.6 Ų | 240.6 | 150.9 Ų | 150.9 | 91% | 0.908 | 80% | 0.801 | S | S | * | * | trans | -106.1 | 111.2 | 173.9 | -158.2 | 173.4 | -171.1 | 169.2 | 2.2 | 111.3 | L1965 R1969 | L1965-R1967 PolarHBondContact O-N 2.95Å; L1965-R1967 VanDerWaalsContact O-N 3.11Å; R1967-R1969 PolarHBondContact O-N 3.07Å | ||
| 1968 | N | 28.1 | Very low | 28.1 | Very low | 150.8 Ų | 150.8 | 146.8 Ų | 146.8 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | trans | -13.1 | 114.1 | 163.5 | -90.6 | -13.3 | 0 | 0 | 0 | 115.1 | P1966 | P1966-N1968 PolarHBondContact O-N 3.03Å; P1966-N1968 VanDerWaalsContact O-N 3.14Å | ||
| 1969 | R | 26.7 | Very low | 28.2 | Very low | 235.8 Ų | 235.8 | 142.9 Ų | 142.9 | 89% | 0.89 | 77% | 0.768 | S | S | * | * | trans | -111.7 | 112.3 | 149.5 | -142.6 | 178.1 | -178.3 | 161 | 2 | 109.8 | R1967 N1971 | R1967-R1969 PolarHBondContact O-N 3.07Å; R1969-N1971 PolarHBondContact O-N 3.05Å | ||
| 1970 | Q | 28.5 | Very low | 28.3 | Very low | 168 Ų | 168 | 140.6 Ų | 140.6 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | trans | -63 | 136.3 | 161.3 | -75.9 | 176.6 | -32.5 | 0 | 0 | 112.3 | T1972 | Q1970-T1972 PolarHBondContact O-N 2.63Š| ||
| 1971 | N | 26.3 | Very low | 28.4 | Very low | 145.8 Ų | 145.8 | 139 Ų | 139 | 78% | 0.78 | 74% | 0.743 | S | S | * | * | trans | -13.3 | 120.5 | 151.5 | -75.8 | -15.2 | 0 | 0 | 0 | 114.3 | R1969 | R1969-N1971 PolarHBondContact O-N 3.05Š| ||
| 1972 | T | 27.4 | Very low | 28.6 | Very low | 136.4 Ų | 136.4 | 137.2 Ų | 137.2 | 84% | 0.837 | 73% | 0.732 | S | S | * | * | trans | -123.7 | 126.6 | 148.8 | 45.6 | 0 | 0 | 0 | 0 | 110.2 | Q1970 S1974 | Q1970-T1972 PolarHBondContact O-N 2.63Å; T1972-S1974 PolarHBondContact O-N 3Å | ||
| 1973 | Q | 26.2 | Very low | 29.1 | Very low | 192.2 Ų | 192.2 | 135.9 Ų | 135.9 | 90% | 0.898 | 72% | 0.72 | S | S | * | * | trans | -77.9 | 110.9 | -169.5 | -90.3 | 167.6 | -30.4 | 0 | 0 | 110.2 | Q1975 | Q1973-Q1975 PolarHBondContact O-N 3.06Š| ||
| 1974 | S | 27.1 | Very low | 29.5 | Very low | 111 Ų | 111 | 135 Ų | 135 | 78% | 0.776 | 71% | 0.712 | S | S | * | * | trans | -98.7 | 114.8 | 162.1 | 53.9 | 0 | 0 | 0 | 0 | 111.4 | T1972 A1976 | T1972-S1974 PolarHBondContact O-N 3Å; S1974-A1976 PolarHBondContact O-N 2.89Å | ||
| 1975 | Q | 27.2 | Very low | 30.2 | Very low | 184.8 Ų | 184.8 | 129.5 Ų | 129.5 | 86% | 0.864 | 70% | 0.695 | S | S | * | * | trans | -54.5 | 125.2 | 165.6 | -72.6 | 158.3 | -23.8 | 0 | 0 | 112.2 | Q1973 S1977 | Q1973-Q1975 PolarHBondContact O-N 3.06Å; Q1975-S1977 PolarHBondContact O-N 3.38Å; Q1975-S1977 VanDerWaalsContact O-N 3.14Å | ||
| 1976 | A | 26.6 | Very low | 30.6 | Very low | 99.4 Ų | 99.4 | 129 Ų | 129 | 82% | 0.821 | 69% | 0.689 | S | S | * | * | trans | -58.3 | 118.1 | 157.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | S1974 | S1974-A1976 PolarHBondContact O-N 2.89Š| ||
| 1977 | S | 27.8 | Very low | 30.9 | Very low | 111 Ų | 111 | 127.6 Ų | 127.6 | 78% | 0.776 | 68% | 0.675 | S | S | * | * | trans | -88.6 | 128.9 | 173.8 | 55.9 | 0 | 0 | 0 | 0 | 113.1 | Q1975 | Q1975-S1977 PolarHBondContact O-N 3.38Å; Q1975-S1977 VanDerWaalsContact O-N 3.14Å | ||
| 1978 | S | 27.6 | Very low | 31.3 | Very low | 56.8 Ų | 56.8 | 123.7 Ų | 123.7 | 40% | 0.397 | 67% | 0.672 | S | S | . | * | trans | -80.8 | 145.4 | 173 | -173.4 | 0 | 0 | 0 | 0 | 112.6 | D1980 Q2104 K2853 | S1978-D1980 WeakPolarHBondContact CB-OD2 3.3Å; S1978-D1980 PolarHBondContact O-N 2.78Å; S1978-D1980 VanDerWaalsContact O-N 3.09Å; S1978-D1980 PolarHBondContact OG-OD2 2.93Å; S1978-Q2104 PolarHBondContact OG-NE2 2.88Å; S1978-K2853 WeakPolarHBondContact OG-CD 3.45Å; S1978-K2853 WeakPolarHBondContact OG-CE 2.99Å; S1978-K2853 WeakPolarHBondContact OG-CG 3.43Å; S1978-K2853 PolarHBondContact OG-NZ 3Å | ||
| 1979 | P | 31.7 | Very low | 31.4 | Very low | 66.8 Ų | 66.8 | 121.9 Ų | 121.9 | 43% | 0.434 | 67% | 0.666 | S | S | . | * | trans | -89 | 82.4 | 175.3 | 36.4 | -32.8 | 0 | 0 | 0 | 111.1 | K2062 A2064 A2097 Q2100 | P1979-K2062 HydrophobicContact CB-CB 4.13Å; P1979-K2062 HydrophobicContact CB-CD 3.41Å; P1979-K2062 VanDerWaalsContact CB-CD 3.41Å; P1979-K2062 HydrophobicContact CB-CG 4.36Å; P1979-A2064 HydrophobicContact CG-CB 4.48Å; P1979-A2097 HydrophobicContact CG-CB 3.78Å; P1979-Q2100 HydrophobicContact CG-CB 3.98Å | ||
| 1980 | D | 29.2 | Very low | 31.7 | Very low | 89 Ų | 89 | 115.5 Ų | 115.5 | 48% | 0.476 | 66% | 0.658 | S | S | . | * | trans | -111.7 | 144.4 | 162.3 | -73.7 | -56.6 | 0 | 0 | 0 | 108.5 | S1978 I1982 Q2101 L2852 K2853 | S1978-D1980 WeakPolarHBondContact CB-OD2 3.3Å; S1978-D1980 PolarHBondContact O-N 2.78Å; S1978-D1980 VanDerWaalsContact O-N 3.09Å; S1978-D1980 PolarHBondContact OG-OD2 2.93Å; D1980-I1982 VanDerWaalsContact C-N 3.31Å; D1980-I1982 PolarHBondContact O-N 3.14Å; D1980-I1982 VanDerWaalsContact O-N 3.11Å; D1980-Q2101 PolarHBondContact OD1-NE2 3.41Å; D1980-L2852 VanDerWaalsContact OD1-O 3.13Å; D1980-L2852 WeakPolarHBondContact OD2-CA 3.47Å; D1980-L2852 PolarHBondContact OD2-N 2.72Å; D1980-K2853 PolarHBondContact OD2-N 3.33Å | ||
| 1981 | A | 32.8 | Very low | 31.9 | Very low | 67.2 Ų | 67.2 | 114.2 Ų | 114.2 | 56% | 0.555 | 66% | 0.656 | S | S | * | * | trans | -63.5 | 106.2 | -178 | 0 | 0 | 0 | 0 | 0 | 110.5 | A1874 V1983 K2062 | A1874-A1981 WeakPolarHBondContact O-CB 3.23Å; A1981-V1983 PolarHBondContact O-N 3.07Å; A1981-K2062 WeakPolarHBondContact CA-O 3.5Å; A1981-K2062 WeakPolarHBondContact CB-O 3.41Å | ||
| 1982 | I | 34.4 | Very low | 32.2 | Very low | 118.6 Ų | 118.6 | 114.9 Ų | 114.9 | 61% | 0.608 | 66% | 0.66 | S | S | * | * | trans | -75.2 | 114.3 | 174.1 | -56 | 174.5 | 0 | 0 | 0 | 107.2 | D1980 E1984 Y2849 | D1980-I1982 VanDerWaalsContact C-N 3.31Å; D1980-I1982 PolarHBondContact O-N 3.14Å; D1980-I1982 VanDerWaalsContact O-N 3.11Å; I1982-E1984 HydrophobicContact CG2-CG 3.98Å; I1982-E1984 PolarHBondContact O-N 3.04Å; I1982-E1984 VanDerWaalsContact O-N 3.16Å; I1982-Y2849 HydrophobicContact CD1-CD2 4.29Å; I1982-Y2849 HydrophobicContact CD1-CE2 3.71Å | ||
| 1983 | V | 38.2 | Very low | 32.5 | Very low | 68.8 Ų | 68.8 | 115.9 Ų | 115.9 | 42% | 0.417 | 66% | 0.659 | S | S | . | * | trans | -83.9 | 99.5 | 167.8 | -176.6 | 0 | 0 | 0 | 0 | 106.5 | A1874 A1981 I1985 I2059 | A1874-V1983 WeakPolarHBondContact O-CG2 3.11Å; A1981-V1983 PolarHBondContact O-N 3.07Å; V1983-I1985 HydrophobicContact CB-CG1 4.2Å; V1983-I1985 HydrophobicContact CG1-CD1 4.27Å; V1983-I1985 HydrophobicContact CG1-CG1 3.83Å; V1983-I1985 PolarHBondContact O-N 3.29Å; V1983-I2059 HydrophobicContact CG1-CG1 4.32Å; V1983-I2059 HydrophobicContact CG1-CG2 4.04Å | ||
| 1984 | E | 39.2 | Very low | 32.8 | Very low | 119 Ų | 119 | 114.1 Ų | 114.1 | 56% | 0.556 | 66% | 0.655 | S | S | * | * | trans | -78.7 | 111.2 | 170.4 | -68.2 | 177.5 | 166.8 | 0 | 0 | 107.9 | I1982 E1986 R2060 K2062 | I1982-E1984 HydrophobicContact CG2-CG 3.98Å; I1982-E1984 PolarHBondContact O-N 3.04Å; I1982-E1984 VanDerWaalsContact O-N 3.16Å; E1984-E1986 PolarHBondContact O-N 2.66Å; E1984-R2060 PolarHBondContact N-O 2.8Å; E1984-R2060 PolarHBondContact O-N 2.79Å; E1984-R2060 VanDerWaalsContact O-N 3.1Å; E1984-K2062 IonicContact OE1-NZ 3.55Å; E1984-K2062 PolarHBondContact OE1-NZ 3.2Å; E1984-K2062 IonicContact OE2-NZ 2.72Å; E1984-K2062 PolarHBondContact OE2-NZ 2.79Å | ||
| 1985 | I | 42.3 | Very low | 33.1 | Very low | 83.6 Ų | 83.6 | 115.1 Ų | 115.1 | 43% | 0.429 | 66% | 0.657 | S | S | . | * | trans | -103.2 | 110.6 | 175.1 | -56.4 | 174.6 | 0 | 0 | 0 | 106.7 | V1983 D1987 | V1983-I1985 HydrophobicContact CB-CG1 4.2Å; V1983-I1985 HydrophobicContact CG1-CD1 4.27Å; V1983-I1985 HydrophobicContact CG1-CG1 3.83Å; V1983-I1985 PolarHBondContact O-N 3.29Å; I1985-D1987 VanDerWaalsContact C-N 3.32Å; I1985-D1987 HydrophobicContact CG2-CB 4.38Å; I1985-D1987 PolarHBondContact O-N 3.14Å | ||
| 1986 | E | 38 | Very low | 33.4 | Very low | 145.8 Ų | 145.8 | 113.2 Ų | 113.2 | 68% | 0.681 | 65% | 0.652 | S | S | * | * | trans | -83.8 | 98.5 | 168 | -73.6 | -175.8 | 149.6 | 0 | 0 | 108.8 | E1984 N1988 R2060 | E1984-E1986 PolarHBondContact O-N 2.66Å; E1986-N1988 VanDerWaalsContact C-N 3.33Å; E1986-N1988 PolarHBondContact O-N 2.89Å; E1986-R2060 IonicContact OE1-NH2 2.74Å; E1986-R2060 IonicContact OE2-CZ 3.44Å; E1986-R2060 IonicContact OE2-NE 3.31Å; E1986-R2060 IonicContact OE2-NH2 3.65Å; E1986-R2060 PolarHBondContact OE2-NH2 3.41Å | ||
| 1987 | D | 36.2 | Very low | 33.6 | Very low | 89.2 Ų | 89.2 | 115.4 Ų | 115.4 | 48% | 0.477 | 65% | 0.65 | S | S | . | * | trans | -83 | 100.5 | 172 | -94.4 | -28.6 | 0 | 0 | 0 | 109.8 | R1868 I1985 T1989 | R1868-D1987 IonicContact CZ-OD1 3.39Å; R1868-D1987 VanDerWaalsContact CZ-OD1 3.28Å; R1868-D1987 IonicContact CZ-OD2 2.65Å; R1868-D1987 IonicContact NH1-OD1 3.32Å; R1868-D1987 PolarHBondContact NH1-OD1 3.24Å; R1868-D1987 IonicContact NH1-OD2 2.84Å; R1868-D1987 PolarHBondContact NH1-OD2 3.29Å; R1868-D1987 IonicContact NH2-OD1 3.47Å; R1868-D1987 PolarHBondContact NH2-OD1 2.8Å; I1985-D1987 VanDerWaalsContact C-N 3.32Å; I1985-D1987 HydrophobicContact CG2-CB 4.38Å; I1985-D1987 PolarHBondContact O-N 3.14Å; D1987-T1989 HydrophobicContact CB-CG2 4.49Å; D1987-T1989 PolarHBondContact O-N 2.97Å | ||
| 1988 | N | 35.1 | Very low | 33.8 | Very low | 157.8 Ų | 157.8 | 117.4 Ų | 117.4 | 84% | 0.844 | 65% | 0.651 | S | S | * | * | trans | -81.5 | 93.5 | 163.9 | -85 | -13.1 | 0 | 0 | 0 | 109.3 | E1986 S1990 | E1986-N1988 VanDerWaalsContact C-N 3.33Å; E1986-N1988 PolarHBondContact O-N 2.89Å; N1988-S1990 PolarHBondContact O-N 3.34Å | ||
| 1989 | T | 31.6 | Very low | 33.9 | Very low | 112.2 Ų | 112.2 | 120.7 Ų | 120.7 | 69% | 0.688 | 66% | 0.664 | S | S | * | * | trans | -114.1 | 130.7 | 170.6 | 49.3 | 0 | 0 | 0 | 0 | 109.4 | D1987 | D1987-T1989 HydrophobicContact CB-CG2 4.49Å; D1987-T1989 PolarHBondContact O-N 2.97Å | ||
| 1990 | S | 32.5 | Very low | 33.9 | Very low | 101.6 Ų | 101.6 | 123.1 Ų | 123.1 | 71% | 0.71 | 68% | 0.678 | S | S | * | * | trans | 111.9 | 124.2 | 178.5 | 59.8 | 0 | 0 | 0 | 0 | 113.6 | N1988 | N1988-S1990 PolarHBondContact O-N 3.34Š| ||
| 1991 | D | 32.5 | Very low | 33.8 | Very low | 140.8 Ų | 140.8 | 122.3 Ų | 122.3 | 75% | 0.753 | 69% | 0.691 | S | S | * | * | trans | -76.6 | 156.7 | 132.4 | -70.2 | -36.8 | 0 | 0 | 0 | 116 | I1993 | D1991-I1993 PolarHBondContact O-N 3.49Š| ||
| 1992 | D | 32.4 | Very low | 33.7 | Very low | 160.8 Ų | 160.8 | 125.7 Ų | 125.7 | 86% | 0.86 | 70% | 0.699 | S | S | * | * | trans | -3.8 | 114 | 171.8 | -63.8 | -39.8 | 0 | 0 | 0 | 117 | ||||
| 1993 | I | 32.9 | Very low | 33.6 | Very low | 157.8 Ų | 157.8 | 126.4 Ų | 126.4 | 81% | 0.809 | 70% | 0.704 | S | S | * | * | trans | -144.1 | 133.3 | 153.6 | -73.2 | 166.6 | 0 | 0 | 0 | 110.3 | D1991 | D1991-I1993 PolarHBondContact O-N 3.49Š| ||
| 1994 | D | 32.7 | Very low | 33.4 | Very low | 153.4 Ų | 153.4 | 131.1 Ų | 131.1 | 82% | 0.82 | 73% | 0.726 | S | S | * | * | trans | -52.4 | 135.5 | -176.3 | -91.5 | -44.3 | 0 | 0 | 0 | 115.7 | D1996 | D1994-D1996 PolarHBondContact O-N 3.03Š| ||
| 1995 | V | 33.6 | Very low | 33.2 | Very low | 133.6 Ų | 133.6 | 132.4 Ų | 132.4 | 81% | 0.81 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -79 | 68.4 | -176.5 | -175.2 | 0 | 0 | 0 | 0 | 112 | ||
| 1996 | D | 33.4 | Very low | 32.7 | Very low | 145 Ų | 145 | 131.2 Ų | 131.2 | 78% | 0.775 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -148.1 | 1.1 | 169.2 | -97.5 | -14.9 | 0 | 0 | 0 | 116.1 | D1994 | D1994-D1996 PolarHBondContact O-N 3.03Š|
| 1997 | N | 30.7 | Very low | 32.4 | Very low | 145 Ų | 145 | 131.5 Ų | 131.5 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | trans | -120.8 | 30.4 | -174.3 | -88.6 | -37.8 | 0 | 0 | 0 | 116.5 | N1999 T2000 | N1997-N1999 VanDerWaalsContact C-N 3.27Å; N1997-N1999 PolarHBondContact O-N 2.8Å; N1997-N1999 VanDerWaalsContact O-N 3.09Å; N1997-T2000 PolarHBondContact O-N 3.26Å | ||
| 1998 | L | 32.6 | Very low | 32.7 | Very low | 152 Ų | 152 | 132.1 Ų | 132.1 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | trans | -87.9 | 52.4 | 175.7 | -151.5 | 80.6 | 0 | 0 | 0 | 112.9 | T2000 | L1998-T2000 VanDerWaalsContact C-N 3.28Å; L1998-T2000 PolarHBondContact O-N 2.8Å | ||
| 1999 | N | 30.7 | Very low | 33.1 | Very low | 127 Ų | 127 | 127.6 Ų | 127.6 | 68% | 0.679 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.3 | 42.1 | 173.6 | -106.8 | -29.5 | 0 | 0 | 0 | 113.2 | N1997 | N1997-N1999 VanDerWaalsContact C-N 3.27Å; N1997-N1999 PolarHBondContact O-N 2.8Å; N1997-N1999 VanDerWaalsContact O-N 3.09Å |
| 2000 | T | 30.1 | Very low | 33.9 | Very low | 116.2 Ų | 116.2 | 131.1 Ų | 131.1 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -142.1 | 123.5 | 172.6 | 53.3 | 0 | 0 | 0 | 0 | 111 | N1997 L1998 L2002 | N1997-T2000 PolarHBondContact O-N 3.26Å; L1998-T2000 VanDerWaalsContact C-N 3.28Å; L1998-T2000 PolarHBondContact O-N 2.8Å; T2000-L2002 PolarHBondContact O-N 3.16Å |
| 2001 | G | 28.1 | Very low | 35.3 | Very low | 73 Ų | 73 | 131 Ų | 131 | 75% | 0.753 | 72% | 0.724 | S | S | * | * | trans | -48.4 | 107.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | I2008 | G2001-I2008 WeakPolarHBondContact O-CD1 3.42Š| ||
| 2002 | L | 29.8 | Very low | 37.2 | Very low | 139.25 Ų | 139.25 | 131 Ų | 131 | 73% | 0.729 | 72% | 0.719 | S | S | * | * | trans | -131.4 | 102.2 | 154.4 | -108.7 | 136.3 | 0 | 0 | 0 | 110.8 | T2000 L2004 I2008 | T2000-L2002 PolarHBondContact O-N 3.16Å; L2002-L2004 PolarHBondContact O-N 3.36Å; L2002-I2008 HydrophobicContact CD1-CD1 3.72Å; L2002-I2008 HydrophobicContact CD2-CB 4.47Å; L2002-I2008 HydrophobicContact CD2-CD1 3.2Å; L2002-I2008 HydrophobicContact CD2-CG1 3.67Å; L2002-I2008 HydrophobicContact CG-CD1 3.91Å | ||
| 2003 | D | 32.3 | Very low | 39.5 | Very low | 131.5 Ų | 131.5 | 124.6 Ų | 124.6 | 70% | 0.703 | 69% | 0.687 | S | S | * | * | trans | -93.7 | 123.6 | 166.8 | -101.6 | -30.9 | 0 | 0 | 0 | 110 | N2005 G2006 R2056 | D2003-N2005 PolarHBondContact O-N 3.02Å; D2003-N2005 WeakPolarHBondContact OD1-CB 3.15Å; D2003-N2005 PolarHBondContact OD1-ND2 2.73Å; D2003-G2006 PolarHBondContact O-N 3.18Å; D2003-R2056 IonicContact OD2-CZ 3.67Å; D2003-R2056 IonicContact OD2-NH1 2.85Å; D2003-R2056 PolarHBondContact OD2-NH1 2.76Å | ||
| 2004 | L | 34.1 | Very low | 41.8 | Very low | 168.5 Ų | 168.5 | 119.4 Ų | 119.4 | 88% | 0.882 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -77.2 | 29.1 | 170.8 | -79.8 | 157.4 | 0 | 0 | 0 | 113.9 | L2002 G2006 | L2002-L2004 PolarHBondContact O-N 3.36Å; L2004-G2006 VanDerWaalsContact C-N 3.27Å; L2004-G2006 PolarHBondContact O-N 2.97Å |
| 2005 | N | 34.6 | Very low | 44.3 | Very low | 145.75 Ų | 145.75 | 113.2 Ų | 113.2 | 78% | 0.779 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | 13.9 | 168.3 | -87 | -11.3 | 0 | 0 | 0 | 116 | D2003 K2007 | D2003-N2005 PolarHBondContact O-N 3.02Å; D2003-N2005 WeakPolarHBondContact OD1-CB 3.15Å; D2003-N2005 PolarHBondContact OD1-ND2 2.73Å; N2005-K2007 VanDerWaalsContact C-N 3.28Å; N2005-K2007 PolarHBondContact O-N 3.19Å |
| 2006 | G | 32.4 | Very low | 46.9 | Very low | 58.75 Ų | 58.75 | 108.9 Ų | 108.9 | 61% | 0.606 | 60% | 0.599 | S | S | * | * | trans | -6.1 | 53.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113 | D2003 L2004 I2008 R2056 | D2003-G2006 PolarHBondContact O-N 3.18Å; L2004-G2006 VanDerWaalsContact C-N 3.27Å; L2004-G2006 PolarHBondContact O-N 2.97Å; G2006-I2008 VanDerWaalsContact C-N 3.3Å; G2006-I2008 PolarHBondContact O-N 2.98Å; G2006-R2056 PolarHBondContact O-NH1 3.04Å | ||
| 2007 | K | 31.9 | Very low | 49.6 | Very low | 153.25 Ų | 153.25 | 105.4 Ų | 105.4 | 67% | 0.666 | 58% | 0.576 | S | S | * | * | trans | -73.5 | 104.2 | -176.3 | -129.3 | -178.8 | 179.2 | -172.3 | 0 | 109 | N2005 S2009 E2010 | N2005-K2007 VanDerWaalsContact C-N 3.28Å; N2005-K2007 PolarHBondContact O-N 3.19Å; K2007-S2009 PolarHBondContact O-N 2.92Å; K2007-E2010 IonicContact NZ-OE1 2.77Å | ||
| 2008 | I | 42.8 | Very low | 52.3 | Low | 101.5 Ų | 101.5 | 100 Ų | 100 | 52% | 0.521 | 55% | 0.547 | S | S | . | . | trans | -55.3 | 118.2 | 161.8 | -65.7 | 166.4 | 0 | 0 | 0 | 105 | G2001 L2002 G2006 E2010 | G2001-I2008 WeakPolarHBondContact O-CD1 3.42Å; L2002-I2008 HydrophobicContact CD1-CD1 3.72Å; L2002-I2008 HydrophobicContact CD2-CB 4.47Å; L2002-I2008 HydrophobicContact CD2-CD1 3.2Å; L2002-I2008 HydrophobicContact CD2-CG1 3.67Å; L2002-I2008 HydrophobicContact CG-CD1 3.91Å; G2006-I2008 VanDerWaalsContact C-N 3.3Å; G2006-I2008 PolarHBondContact O-N 2.98Å; I2008-E2010 PolarHBondContact O-N 3.03Å; I2008-E2010 VanDerWaalsContact O-N 3.07Å | ||
| 2009 | S | 43.5 | Very low | 54.9 | Low | 61.75 Ų | 61.75 | 93.3 Ų | 93.3 | 43% | 0.432 | 51% | 0.512 | S | S | . | . | trans | -46.5 | 128.5 | 171.6 | -54.5 | 0 | 0 | 0 | 0 | 107.6 | K2007 E2011 | K2007-S2009 PolarHBondContact O-N 2.92Å; S2009-E2011 PolarHBondContact O-N 3.29Å | ||
| 2010 | E | 49 | Very low | 57.6 | Low | 186.25 Ų | 186.25 | 87.7 Ų | 87.7 | 87% | 0.87 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -63.6 | 5.8 | -173.9 | -62.9 | -175.1 | 168.4 | 0 | 0 | 113.8 | K2007 I2008 E2012 | K2007-E2010 IonicContact NZ-OE1 2.77Å; I2008-E2010 PolarHBondContact O-N 3.03Å; I2008-E2010 VanDerWaalsContact O-N 3.07Å; E2010-E2012 PolarHBondContact O-N 3.24Å |
| 2011 | E | 61.2 | Low | 60.3 | Low | 100.75 Ų | 100.75 | 82.4 Ų | 82.4 | 47% | 0.471 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 122.4 | 174.2 | -63.4 | -173.6 | 153.1 | 0 | 0 | 110.9 | Y1941 S2009 | Y1941-E2011 HydrophobicContact CD1-CB 4.46Å; Y1941-E2011 WeakPolarHBondContact CE1-O 3.26Å; S2009-E2011 PolarHBondContact O-N 3.29Å |
| 2012 | E | 72.6 | Confident | 62.9 | Low | 139.25 Ų | 139.25 | 82 Ų | 82 | 65% | 0.651 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 123.8 | 172 | -168.8 | -177.2 | 175.8 | 0 | 0 | 109.4 | K1278 E2010 L2014 | K1278-E2012 IonicContact NZ-OE2 2.82Å; K1278-E2012 PolarHBondContact NZ-OE2 3.38Å; E2010-E2012 PolarHBondContact O-N 3.24Å; E2012-L2014 PolarHBondContact O-N 3.11Å |
| 2013 | P | 80 | Confident | 65.4 | Low | 28 Ų | 28 | 82.7 Ų | 82.7 | 18% | 0.182 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 141.4 | -179.7 | 24.4 | -33.4 | 0 | 0 | 0 | 110 | K1298 L1939 V1940 Y1941 L2015 D2016 | K1298-P2013 VanDerWaalsContact CE-O 3.23Å; K1298-P2013 WeakPolarHBondContact CE-O 3.04Å; K1298-P2013 PolarHBondContact NZ-O 3.32Å; L1939-P2013 HydrophobicContact CB-CB 4.48Å; L1939-P2013 HydrophobicContact CD2-CB 4.22Å; L1939-P2013 HydrophobicContact CD2-CG 4.08Å; V1940-P2013 CarbonylContact O-C 3.52Å; Y1941-P2013 HydrophobicContact CD1-CB 4.13Å; Y1941-P2013 VanDerWaalsContact CE1-CA 3.48Å; Y1941-P2013 HydrophobicContact CE1-CB 3.67Å; Y1941-P2013 HydrophobicContact CE1-CG 4.28Å; Y1941-P2013 HydrophobicContact CE2-CB 4.31Å; P2013-L2015 VanDerWaalsContact C-N 3.33Å; P2013-L2015 PolarHBondContact O-N 3.17Å; P2013-L2015 VanDerWaalsContact O-N 3.12Å; P2013-D2016 HydrophobicContact CG-CB 4.33Å |
| 2014 | L | 81.9 | Confident | 67.9 | Low | 47.5 Ų | 47.5 | 81.5 Ų | 81.5 | 25% | 0.249 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -60.9 | -39.6 | 174.7 | -116.4 | 122.1 | 0 | 0 | 0 | 111.2 | F1262 K1278 I1281 K1298 V1940 P1942 E2012 I2033 F2046 | F1262-L2014 HydrophobicContact CB-CD2 3.52Å; F1262-L2014 HydrophobicContact CG-CD2 4.2Å; K1278-L2014 HydrophobicContact CG-CD2 4.38Å; I1281-L2014 HydrophobicContact CD1-CB 4.44Å; I1281-L2014 HydrophobicContact CD1-CD2 4.04Å; K1298-L2014 VanDerWaalsContact NZ-C 3.31Å; K1298-L2014 PolarHBondContact NZ-O 2.64Å; V1940-L2014 WeakPolarHBondContact O-CA 3.36Å; V1940-L2014 VanDerWaalsContact O-CB 3.3Å; V1940-L2014 WeakPolarHBondContact O-CB 3.35Å; V1940-L2014 PolarHBondContact O-N 3.29Å; P1942-L2014 HydrophobicContact CB-CD1 4.03Å; P1942-L2014 HydrophobicContact CG-CD1 3.98Å; P1942-L2014 HydrophobicContact CG-CG 4.18Å; E2012-L2014 PolarHBondContact O-N 3.11Å; L2014-I2033 HydrophobicContact CD1-CD1 4.44Å; L2014-I2033 HydrophobicContact CD2-CB 4.5Å; L2014-I2033 HydrophobicContact CD2-CD1 3.73Å; L2014-I2033 HydrophobicContact CD2-CG1 3.99Å; L2014-I2033 HydrophobicContact CD2-CG2 3.85Å; L2014-F2046 HydrophobicContact CD1-CD1 4.48Å; L2014-F2046 HydrophobicContact CD1-CE1 4.29Å; L2014-F2046 HydrophobicContact CD2-CE1 4.39Å |
| 2015 | L | 85.8 | Confident | 70.4 | Confident | 22.5 Ų | 22.5 | 78.6 Ų | 78.6 | 12% | 0.118 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 140.3 | 180 | -60.3 | 153.2 | 0 | 0 | 0 | 109.7 | I1281 L1939 V1940 P2013 Y2017 I2031 I2033 | I1281-L2015 HydrophobicContact CG2-CD2 3.91Å; L1939-L2015 CarbonylContact C-O 3.51Å; L1939-L2015 WeakPolarHBondContact CA-O 3.25Å; V1940-L2015 HydrophobicContact CB-CB 4.06Å; V1940-L2015 HydrophobicContact CB-CD1 4.16Å; V1940-L2015 HydrophobicContact CB-CG 4.47Å; V1940-L2015 HydrophobicContact CG1-CD1 4.27Å; V1940-L2015 HydrophobicContact CG2-CB 4Å; V1940-L2015 HydrophobicContact CG2-CD1 4.05Å; V1940-L2015 HydrophobicContact CG2-CG 4.5Å; V1940-L2015 PolarHBondContact N-O 2.98Å; V1940-L2015 PolarHBondContact O-N 3.13Å; P2013-L2015 VanDerWaalsContact C-N 3.33Å; P2013-L2015 PolarHBondContact O-N 3.17Å; P2013-L2015 VanDerWaalsContact O-N 3.12Å; L2015-Y2017 HydrophobicContact CB-CD2 4.09Å; L2015-Y2017 HydrophobicContact CB-CE2 3.88Å; L2015-Y2017 HydrophobicContact CD1-CE2 4.21Å; L2015-Y2017 HydrophobicContact CD2-CD2 4.19Å; L2015-Y2017 HydrophobicContact CD2-CE2 3.69Å; L2015-Y2017 HydrophobicContact CG-CE2 4.23Å; L2015-I2031 HydrophobicContact CD1-CB 4.49Å; L2015-I2031 HydrophobicContact CD1-CD1 4.46Å; L2015-I2031 HydrophobicContact CD1-CG1 4.43Å; L2015-I2031 HydrophobicContact CD1-CG2 3.38Å; L2015-I2031 HydrophobicContact CD2-CG2 3.89Å; L2015-I2033 HydrophobicContact CD1-CD1 4.29Å; L2015-I2033 HydrophobicContact CD1-CG1 4.32Å |
| 2016 | D | 88.1 | Confident | 73 | Confident | 44.75 Ų | 44.75 | 77.8 Ų | 77.8 | 24% | 0.239 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 105.4 | 178.1 | -179.3 | 8.5 | 0 | 0 | 0 | 108.8 | R1297 K1298 R1937 L1939 P2013 | R1297-D2016 HydrophobicContact CB-CB 4.3Å; R1297-D2016 PolarHBondContact N-O 2.85Å; K1298-D2016 HydrophobicContact CG-CB 4.25Å; R1937-D2016 IonicContact CZ-OD1 3.2Å; R1937-D2016 IonicContact CZ-OD2 3.26Å; R1937-D2016 IonicContact NE-OD1 3.28Å; R1937-D2016 PolarHBondContact NE-OD1 3.14Å; R1937-D2016 IonicContact NE-OD2 3.27Å; R1937-D2016 VanDerWaalsContact NH2-CG 3.3Å; R1937-D2016 IonicContact NH2-OD1 3.14Å; R1937-D2016 PolarHBondContact NH2-OD1 2.99Å; R1937-D2016 VanDerWaalsContact NH2-OD1 3.12Å; R1937-D2016 IonicContact NH2-OD2 3.22Å; R1937-D2016 PolarHBondContact NH2-OD2 3.11Å; L1939-D2016 HydrophobicContact CD2-CB 3.78Å; L1939-D2016 VanDerWaalsContact CD2-CG 3.46Å; L1939-D2016 VanDerWaalsContact CD2-OD1 3.27Å; L1939-D2016 WeakPolarHBondContact CD2-OD1 3.3Å; P2013-D2016 HydrophobicContact CG-CB 4.33Å |
| 2017 | Y | 89 | Confident | 75.7 | Confident | 70.75 Ų | 70.75 | 75.6 Ų | 75.6 | 28% | 0.277 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 132.3 | -174.2 | -70.7 | -68.9 | 0 | 0 | 0 | 111.8 | L1284 F1294 E1295 N1296 R1937 L1938 L2015 | L1284-Y2017 HydrophobicContact CB-CD1 4.49Å; L1284-Y2017 HydrophobicContact CB-CE1 4.09Å; L1284-Y2017 HydrophobicContact CB-CE2 4.25Å; L1284-Y2017 HydrophobicContact CD2-CD1 4.48Å; L1284-Y2017 HydrophobicContact CD2-CG 4.31Å; L1284-Y2017 PolarHBondContact N-OH 3.49Å; F1294-Y2017 HydrophobicContact CB-CD1 4.46Å; F1294-Y2017 AromaticContact CD2-CD1 3.85Å; F1294-Y2017 HydrophobicContact CD2-CD1 3.85Å; F1294-Y2017 AromaticContact CD2-CE1 3.88Å; F1294-Y2017 HydrophobicContact CD2-CE1 3.88Å; F1294-Y2017 HydrophobicContact CE2-CE1 4.3Å; E1295-Y2017 VanDerWaalsContact O-CA 3.31Å; E1295-Y2017 WeakPolarHBondContact O-CA 3.36Å; N1296-Y2017 HydrophobicContact CB-CD1 3.95Å; N1296-Y2017 HydrophobicContact CB-CE1 3.5Å; N1296-Y2017 PolarHBondContact ND2-OH 3.17Å; R1937-Y2017 CarbonylContact C-O 3.54Å; R1937-Y2017 WeakPolarHBondContact CA-O 3.29Å; R1937-Y2017 WeakPolarHBondContact CG-O 3.44Å; L1938-Y2017 PolarHBondContact N-O 3.05Å; L1938-Y2017 PolarHBondContact O-N 3.16Å; L2015-Y2017 HydrophobicContact CB-CD2 4.09Å; L2015-Y2017 HydrophobicContact CB-CE2 3.88Å; L2015-Y2017 HydrophobicContact CD1-CE2 4.21Å; L2015-Y2017 HydrophobicContact CD2-CD2 4.19Å; L2015-Y2017 HydrophobicContact CD2-CE2 3.69Å; L2015-Y2017 HydrophobicContact CG-CE2 4.23Å |
| 2018 | D | 87.5 | Confident | 78.4 | Confident | 31.5 Ų | 31.5 | 72.6 Ų | 72.6 | 17% | 0.168 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 126.2 | 160.9 | -71.3 | -25.5 | 0 | 0 | 0 | 108.6 | F1294 E1295 R1297 S1855 L1857 L1935 R1937 | F1294-D2018 CarbonylContact C-O 3.54Å; F1294-D2018 WeakPolarHBondContact CA-O 3.32Å; E1295-D2018 HydrophobicContact CB-CB 4.47Å; E1295-D2018 PolarHBondContact N-O 3.06Å; E1295-D2018 PolarHBondContact O-N 3.05Å; R1297-D2018 WeakPolarHBondContact CD-OD1 3.5Å; S1855-D2018 WeakPolarHBondContact CB-OD2 3.32Å; S1855-D2018 VanDerWaalsContact OG-CG 3.25Å; S1855-D2018 PolarHBondContact OG-OD2 3.21Å; L1857-D2018 HydrophobicContact CB-CB 4.38Å; L1857-D2018 HydrophobicContact CD1-CB 4.01Å; L1857-D2018 VanDerWaalsContact CD1-O 3.28Å; L1857-D2018 WeakPolarHBondContact CD1-O 3.21Å; L1935-D2018 HydrophobicContact CD1-CB 4.21Å; R1937-D2018 WeakPolarHBondContact CD-OD1 3.28Å; R1937-D2018 WeakPolarHBondContact CG-OD1 3.38Å; R1937-D2018 IonicContact NE-OD1 3.22Å |
| 2019 | V | 88.2 | Confident | 80.6 | Confident | 11.75 Ų | 11.75 | 68.5 Ų | 68.5 | 7% | 0.071 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 110.5 | -175.5 | -175.1 | 0 | 0 | 0 | 0 | 109.6 | L1284 I1292 W1293 F1294 L1935 F1936 L1938 V2029 | L1284-V2019 HydrophobicContact CD2-CG2 4.49Å; I1292-V2019 HydrophobicContact CG2-CG1 3.52Å; W1293-V2019 CarbonylContact O-C 3.56Å; W1293-V2019 WeakPolarHBondContact O-CA 3.5Å; F1294-V2019 HydrophobicContact CB-CG2 4.46Å; L1935-V2019 WeakPolarHBondContact CA-O 3.44Å; L1935-V2019 WeakPolarHBondContact CD1-O 3.46Å; F1936-V2019 HydrophobicContact CD2-CB 4.16Å; F1936-V2019 HydrophobicContact CD2-CG2 4.39Å; F1936-V2019 HydrophobicContact CE1-CB 4.22Å; F1936-V2019 HydrophobicContact CE1-CG1 4.01Å; F1936-V2019 HydrophobicContact CE2-CB 3.74Å; F1936-V2019 HydrophobicContact CE2-CG1 4.08Å; F1936-V2019 HydrophobicContact CE2-CG2 4.03Å; F1936-V2019 HydrophobicContact CG-CB 4.5Å; F1936-V2019 HydrophobicContact CZ-CB 3.77Å; F1936-V2019 HydrophobicContact CZ-CG1 3.61Å; F1936-V2019 HydrophobicContact CZ-CG2 4.4Å; F1936-V2019 PolarHBondContact N-O 3.03Å; F1936-V2019 VanDerWaalsContact N-O 3.11Å; F1936-V2019 WeakPolarHBondContact O-CA 3.31Å; F1936-V2019 PolarHBondContact O-N 3.18Å; F1936-V2019 VanDerWaalsContact O-O 3.12Å; L1938-V2019 HydrophobicContact CB-CG2 4.13Å; V2019-V2029 HydrophobicContact CG1-CG2 4.27Å |
| 2020 | G | 86.5 | Confident | 82.8 | Confident | 9.5 Ų | 9.5 | 71 Ų | 71 | 10% | 0.098 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 129.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | I1292 W1293 G1934 F2022 | I1292-G2020 CarbonylContact C-O 3.56Å; I1292-G2020 WeakPolarHBondContact CA-O 3.42Å; W1293-G2020 PolarHBondContact N-O 3.11Å; W1293-G2020 PolarHBondContact O-N 3.22Å; G1934-G2020 CarbonylContact O-C 3.54Å; G1934-G2020 WeakPolarHBondContact O-CA 3.24Å; G2020-F2022 VanDerWaalsContact C-CD2 3.5Å; G2020-F2022 VanDerWaalsContact O-CD2 3.22Å; G2020-F2022 WeakPolarHBondContact O-CD2 3.3Å; G2020-F2022 WeakPolarHBondContact O-CE2 3.1Å |
| 2021 | V | 87.3 | Confident | 84.7 | Confident | 4.75 Ų | 4.75 | 62.5 Ų | 62.5 | 3% | 0.029 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 119.8 | 178.2 | -176.6 | 0 | 0 | 0 | 0 | 108.7 | N1291 V1929 F1932 P1933 G1934 F1936 E2024 F2027 | N1291-V2021 WeakPolarHBondContact O-CA 3.33Å; V1929-V2021 HydrophobicContact CG1-CB 4.49Å; V1929-V2021 HydrophobicContact CG1-CG2 4.21Å; V1929-V2021 HydrophobicContact CG2-CB 4.11Å; V1929-V2021 HydrophobicContact CG2-CG1 4.13Å; V1929-V2021 HydrophobicContact CG2-CG2 3.95Å; F1932-V2021 HydrophobicContact CD2-CG1 4.18Å; F1932-V2021 WeakPolarHBondContact CD2-O 3.44Å; F1932-V2021 HydrophobicContact CE2-CG1 4.38Å; F1932-V2021 WeakPolarHBondContact CE2-O 3.47Å; P1933-V2021 CarbonylContact C-O 3.55Å; P1933-V2021 VanDerWaalsContact CA-O 3.26Å; P1933-V2021 WeakPolarHBondContact CA-O 3.34Å; P1933-V2021 WeakPolarHBondContact CB-O 3.46Å; G1934-V2021 PolarHBondContact N-O 3.07Å; G1934-V2021 VanDerWaalsContact N-O 3.14Å; G1934-V2021 PolarHBondContact O-N 3.04Å; F1936-V2021 HydrophobicContact CD1-CG2 4.41Å; F1936-V2021 HydrophobicContact CE1-CG2 3.8Å; V2021-E2024 VanDerWaalsContact CG1-O 3.26Å; V2021-E2024 WeakPolarHBondContact CG1-O 3.34Å; V2021-F2027 HydrophobicContact CG1-CB 4.29Å; V2021-F2027 HydrophobicContact CG2-CB 3.96Å; V2021-F2027 HydrophobicContact CG2-CD1 4.22Å; V2021-F2027 HydrophobicContact CG2-CG 4.29Å |
| 2022 | F | 83.1 | Confident | 86 | Confident | 64 Ų | 64 | 59.1 Ų | 59.1 | 28% | 0.281 | 27% | 0.273 | S | S | . | . | trans | -130.7 | -102.6 | -170.3 | 5.4 | -78.9 | 0 | 0 | 0 | 114 | R1290 N1291 W1293 L1641 L1857 F1861 F1932 P1933 G2020 E2024 | R1290-F2022 VanDerWaalsContact C-CZ 3.48Å; R1290-F2022 WeakPolarHBondContact O-CE2 3.3Å; R1290-F2022 WeakPolarHBondContact O-CZ 3.3Å; N1291-F2022 VanDerWaalsContact C-CD1 3.44Å; N1291-F2022 CarbonylContact C-O 3.31Å; N1291-F2022 VanDerWaalsContact CA-O 3.28Å; N1291-F2022 WeakPolarHBondContact CA-O 3.49Å; N1291-F2022 WeakPolarHBondContact CB-O 3.28Å; N1291-F2022 WeakPolarHBondContact O-CD1 3.45Å; N1291-F2022 PolarHBondContact O-N 3.26Å; N1291-F2022 VanDerWaalsContact O-O 3.13Å; W1293-F2022 HydrophobicContact CB-CE1 4.42Å; W1293-F2022 AromaticContact CD1-CD1 3.91Å; W1293-F2022 AromaticContact CD1-CE1 3.06Å; W1293-F2022 AromaticContact CD1-CZ 3.49Å; W1293-F2022 VanDerWaalsContact CD1-CZ 3.49Å; W1293-F2022 HydrophobicContact CD2-CD1 4.05Å; W1293-F2022 AromaticContact CD2-CE1 3.9Å; W1293-F2022 HydrophobicContact CD2-CE1 3.9Å; W1293-F2022 HydrophobicContact CD2-CZ 4.38Å; W1293-F2022 AromaticContact CE2-CD1 3.92Å; W1293-F2022 AromaticContact CE2-CE1 3.52Å; W1293-F2022 AromaticContact CE2-CE2 3.93Å; W1293-F2022 AromaticContact CE2-CZ 3.54Å; W1293-F2022 AromaticContact CG-CD1 3.98Å; W1293-F2022 HydrophobicContact CG-CD1 3.98Å; W1293-F2022 AromaticContact CG-CE1 3.58Å; W1293-F2022 HydrophobicContact CG-CE1 3.58Å; W1293-F2022 HydrophobicContact CG-CZ 4.3Å; W1293-F2022 HydrophobicContact CZ2-CD1 4.49Å; W1293-F2022 HydrophobicContact CZ2-CD2 4.15Å; W1293-F2022 HydrophobicContact CZ2-CE1 4.3Å; W1293-F2022 AromaticContact CZ2-CE2 3.93Å; W1293-F2022 HydrophobicContact CZ2-CE2 3.93Å; W1293-F2022 HydrophobicContact CZ2-CG 4.46Å; W1293-F2022 HydrophobicContact CZ2-CZ 4.03Å; W1293-F2022 AromaticContact NE1-CD1 3.88Å; W1293-F2022 AromaticContact NE1-CE1 3.03Å; W1293-F2022 AromaticContact NE1-CE2 3.75Å; W1293-F2022 AromaticContact NE1-CZ 2.95Å; L1641-F2022 HydrophobicContact CD2-CE1 4.36Å; L1857-F2022 HydrophobicContact CD2-CE1 4.46Å; L1857-F2022 HydrophobicContact CD2-CE2 4.36Å; L1857-F2022 HydrophobicContact CD2-CZ 3.76Å; F1861-F2022 HydrophobicContact CD1-CE1 4.02Å; F1861-F2022 AromaticContact CD2-CE1 3.69Å; F1861-F2022 HydrophobicContact CD2-CE1 4.02Å; F1861-F2022 AromaticContact CD2-CZ 3.99Å; F1861-F2022 HydrophobicContact CD2-CZ 3.99Å; F1861-F2022 HydrophobicContact CE1-CB 3.96Å; F1861-F2022 HydrophobicContact CE1-CD1 4.36Å; F1861-F2022 AromaticContact CE1-CE1 3.74Å; F1861-F2022 HydrophobicContact CE1-CE1 4.01Å; F1861-F2022 HydrophobicContact CE1-CG 4.44Å; F1861-F2022 HydrophobicContact CE2-CD1 4.38Å; F1861-F2022 AromaticContact CE2-CE1 3.41Å; F1861-F2022 HydrophobicContact CE2-CE1 3.41Å; F1861-F2022 VanDerWaalsContact CE2-CE1 3.44Å; F1861-F2022 AromaticContact CE2-CZ 3.69Å; F1861-F2022 HydrophobicContact CE2-CZ 3.91Å; F1861-F2022 HydrophobicContact CG-CE1 4Å; F1861-F2022 HydrophobicContact CZ-CB 4.1Å; F1861-F2022 AromaticContact CZ-CD1 3.89Å; F1861-F2022 HydrophobicContact CZ-CD1 4.09Å; F1861-F2022 AromaticContact CZ-CE1 3.41Å; F1861-F2022 HydrophobicContact CZ-CE1 3.41Å; F1861-F2022 VanDerWaalsContact CZ-CE1 3.41Å; F1861-F2022 HydrophobicContact CZ-CG 4.36Å; F1861-F2022 HydrophobicContact CZ-CZ 4.31Å; F1932-F2022 VanDerWaalsContact CE2-CA 3.44Å; F1932-F2022 WeakPolarHBondContact CE2-O 3.46Å; F1932-F2022 VanDerWaalsContact CZ-O 3.24Å; F1932-F2022 WeakPolarHBondContact CZ-O 3.37Å; P1933-F2022 HydrophobicContact CB-CB 4.02Å; P1933-F2022 HydrophobicContact CB-CD1 3.87Å; P1933-F2022 HydrophobicContact CB-CE1 4.4Å; G2020-F2022 VanDerWaalsContact C-CD2 3.5Å; G2020-F2022 VanDerWaalsContact O-CD2 3.22Å; G2020-F2022 WeakPolarHBondContact O-CD2 3.3Å; G2020-F2022 WeakPolarHBondContact O-CE2 3.1Å; F2022-E2024 PolarHBondContact O-N 3.34Å | ||
| 2023 | E | 81.5 | Confident | 86.6 | Confident | 154 Ų | 154 | 52.9 Ų | 52.9 | 72% | 0.72 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -22 | -47 | -175.7 | -66.8 | -178.3 | 171.8 | 0 | 0 | 115 | F1932 | F1932-E2023 WeakPolarHBondContact CE2-O 3.28Å; F1932-E2023 VanDerWaalsContact CZ-N 3.34Å; F1932-E2023 VanDerWaalsContact CZ-O 3.32Å; F1932-E2023 WeakPolarHBondContact CZ-O 3.32Å |
| 2024 | E | 85 | Confident | 86.8 | Confident | 106.25 Ų | 106.25 | 54.4 Ų | 54.4 | 50% | 0.496 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -131.7 | 161.5 | 178.8 | -64.5 | -173.4 | -174.4 | 0 | 0 | 111.1 | N1291 F1932 V2021 F2022 K2026 | N1291-E2024 WeakPolarHBondContact ND2-CB 3.25Å; N1291-E2024 WeakPolarHBondContact ND2-CG 3.04Å; N1291-E2024 PolarHBondContact ND2-OE2 2.93Å; N1291-E2024 VanDerWaalsContact ND2-OE2 3.12Å; F1932-E2024 WeakPolarHBondContact CD2-O 3.29Å; F1932-E2024 VanDerWaalsContact CE2-C 3.48Å; F1932-E2024 VanDerWaalsContact CE2-O 3.25Å; F1932-E2024 WeakPolarHBondContact CE2-O 3.28Å; V2021-E2024 VanDerWaalsContact CG1-O 3.26Å; V2021-E2024 WeakPolarHBondContact CG1-O 3.34Å; F2022-E2024 PolarHBondContact O-N 3.34Å; E2024-K2026 VanDerWaalsContact C-N 3.28Å; E2024-K2026 PolarHBondContact O-N 3.12Å; E2024-K2026 VanDerWaalsContact O-N 3.13Å |
| 2025 | R | 87.2 | Confident | 86.7 | Confident | 108.25 Ų | 108.25 | 52.8 Ų | 52.8 | 41% | 0.408 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -66.9 | -18 | 172.9 | -69.8 | 179 | 173 | -117.6 | -10.7 | 113.7 | E1867 Q1928 V1929 D1930 F1932 | E1867-R2025 IonicContact OE1-NH1 3.42Å; Q1928-R2025 CarbonylContact C-O 3.47Å; Q1928-R2025 VanDerWaalsContact CA-O 3.27Å; Q1928-R2025 WeakPolarHBondContact CA-O 3.34Å; Q1928-R2025 HydrophobicContact CG-CB 3.71Å; Q1928-R2025 VanDerWaalsContact CG-CB 3.45Å; Q1928-R2025 WeakPolarHBondContact CG-O 3.14Å; V1929-R2025 HydrophobicContact CG2-CB 4.4Å; V1929-R2025 WeakPolarHBondContact CG2-O 3.26Å; V1929-R2025 PolarHBondContact N-O 3.2Å; V1929-R2025 PolarHBondContact O-NH1 2.93Å; D1930-R2025 VanDerWaalsContact O-CZ 3.32Å; D1930-R2025 PolarHBondContact O-NH1 3.04Å; D1930-R2025 PolarHBondContact O-NH2 3.02Å; D1930-R2025 VanDerWaalsContact O-NH2 3.1Å; F1932-R2025 HydrophobicContact CB-CG 4.26Å; F1932-R2025 HydrophobicContact CD1-CB 4.39Å; F1932-R2025 HydrophobicContact CD1-CG 3.2Å; F1932-R2025 HydrophobicContact CE1-CG 3.62Å; F1932-R2025 HydrophobicContact CG-CG 4Å |
| 2026 | K | 88.4 | Confident | 86.2 | Confident | 129.75 Ų | 129.75 | 53.3 Ų | 53.3 | 56% | 0.564 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 142.8 | -173.4 | -65.2 | 177 | -176.8 | 172.1 | 0 | 110.7 | G1927 Q1928 E2024 | G1927-K2026 WeakPolarHBondContact O-CA 3.41Å; Q1928-K2026 HydrophobicContact CG-CG 4.35Å; E2024-K2026 VanDerWaalsContact C-N 3.28Å; E2024-K2026 PolarHBondContact O-N 3.12Å; E2024-K2026 VanDerWaalsContact O-N 3.13Å |
| 2027 | F | 89.2 | Confident | 85.3 | Confident | 11.75 Ų | 11.75 | 56.2 Ų | 56.2 | 5% | 0.052 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 146.8 | 173 | 67.2 | -92.7 | 0 | 0 | 0 | 111.3 | I1292 V1866 L1872 L1925 T1926 G1927 V1929 F1936 V2021 V2029 | I1292-F2027 HydrophobicContact CD1-CB 3.65Å; I1292-F2027 HydrophobicContact CG1-CB 4Å; V1866-F2027 HydrophobicContact CG1-CE1 4.03Å; V1866-F2027 HydrophobicContact CG1-CZ 4.01Å; V1866-F2027 HydrophobicContact CG2-CE1 4.27Å; V1866-F2027 HydrophobicContact CG2-CZ 4.39Å; L1872-F2027 HydrophobicContact CD1-CZ 4.28Å; L1925-F2027 HydrophobicContact CD2-CE2 4.25Å; L1925-F2027 HydrophobicContact CG-CE2 4.18Å; T1926-F2027 WeakPolarHBondContact CA-O 3.45Å; G1927-F2027 VanDerWaalsContact C-CD1 3.5Å; G1927-F2027 VanDerWaalsContact C-CE1 3.42Å; G1927-F2027 VanDerWaalsContact CA-CE1 3.48Å; G1927-F2027 VanDerWaalsContact CA-CZ 3.49Å; G1927-F2027 PolarHBondContact N-O 2.87Å; G1927-F2027 WeakPolarHBondContact O-CD1 3.34Å; G1927-F2027 PolarHBondContact O-N 3.15Å; V1929-F2027 HydrophobicContact CG1-CD1 4.26Å; V1929-F2027 HydrophobicContact CG1-CE1 4.27Å; V1929-F2027 HydrophobicContact CG2-CD1 3.95Å; V1929-F2027 HydrophobicContact CG2-CE1 3.82Å; F1936-F2027 AromaticContact CE1-CD1 3.89Å; F1936-F2027 HydrophobicContact CE1-CD1 3.93Å; F1936-F2027 HydrophobicContact CE1-CD2 4.4Å; F1936-F2027 AromaticContact CE1-CE1 3.83Å; F1936-F2027 HydrophobicContact CE1-CE1 3.83Å; F1936-F2027 HydrophobicContact CE1-CE2 4.32Å; F1936-F2027 HydrophobicContact CE1-CG 4.2Å; F1936-F2027 AromaticContact CE1-CZ 3.99Å; F1936-F2027 HydrophobicContact CE1-CZ 4.03Å; F1936-F2027 HydrophobicContact CE2-CE2 4.41Å; F1936-F2027 HydrophobicContact CE2-CZ 4.45Å; F1936-F2027 HydrophobicContact CZ-CD1 4.21Å; F1936-F2027 AromaticContact CZ-CD2 3.85Å; F1936-F2027 HydrophobicContact CZ-CD2 3.89Å; F1936-F2027 AromaticContact CZ-CE1 3.95Å; F1936-F2027 HydrophobicContact CZ-CE1 4.02Å; F1936-F2027 AromaticContact CZ-CE2 3.68Å; F1936-F2027 HydrophobicContact CZ-CE2 3.68Å; F1936-F2027 AromaticContact CZ-CG 3.93Å; F1936-F2027 HydrophobicContact CZ-CG 4.14Å; F1936-F2027 AromaticContact CZ-CZ 3.74Å; F1936-F2027 HydrophobicContact CZ-CZ 3.74Å; V2021-F2027 HydrophobicContact CG1-CB 4.29Å; V2021-F2027 HydrophobicContact CG2-CB 3.96Å; V2021-F2027 HydrophobicContact CG2-CD1 4.22Å; V2021-F2027 HydrophobicContact CG2-CG 4.29Å; F2027-V2029 HydrophobicContact CD2-CG2 4.24Å |
| 2028 | Q | 88.9 | Confident | 84.2 | Confident | 89.5 Ų | 89.5 | 59.3 Ų | 59.3 | 42% | 0.418 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 120 | 169.7 | 179.6 | 169.2 | 12.6 | 0 | 0 | 108.6 | P1287 Y1288 I1292 L1925 T1926 | P1287-Q2028 WeakPolarHBondContact CD-O 3.23Å; P1287-Q2028 HydrophobicContact CG-CG 4.05Å; Y1288-Q2028 HydrophobicContact CD2-CB 4.31Å; I1292-Q2028 VanDerWaalsContact CD1-O 3.26Å; I1292-Q2028 WeakPolarHBondContact CD1-O 3.06Å; L1925-Q2028 CarbonylContact O-C 3.48Å; L1925-Q2028 WeakPolarHBondContact O-CA 3.38Å; T1926-Q2028 HydrophobicContact CG2-CB 4.01Å; T1926-Q2028 HydrophobicContact CG2-CG 3.69Å |
| 2029 | V | 89.4 | Confident | 83.4 | Confident | 16.25 Ų | 16.25 | 59.8 Ų | 59.8 | 10% | 0.098 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 127.9 | 179.9 | -162.1 | 0 | 0 | 0 | 0 | 108.4 | L1284 I1292 L1925 L1938 V2019 F2027 I2031 | L1284-V2029 HydrophobicContact CD1-CG1 3.19Å; L1284-V2029 HydrophobicContact CD2-CG1 3.6Å; L1284-V2029 HydrophobicContact CG-CG1 3.47Å; L1284-V2029 VanDerWaalsContact CG-CG1 3.47Å; I1292-V2029 HydrophobicContact CD1-CG2 4.12Å; L1925-V2029 HydrophobicContact CB-CB 4.46Å; L1925-V2029 HydrophobicContact CB-CG2 3.8Å; L1925-V2029 HydrophobicContact CD2-CG2 3.91Å; L1925-V2029 HydrophobicContact CG-CG2 4.18Å; L1925-V2029 PolarHBondContact N-O 3.11Å; L1925-V2029 PolarHBondContact O-N 3.08Å; L1938-V2029 HydrophobicContact CD2-CG1 4.26Å; L1938-V2029 HydrophobicContact CD2-CG2 4.31Å; V2019-V2029 HydrophobicContact CG1-CG2 4.27Å; F2027-V2029 HydrophobicContact CD2-CG2 4.24Å; V2029-I2031 HydrophobicContact CG1-CD1 4.38Å; V2029-I2031 HydrophobicContact CG1-CG1 4.1Å |
| 2030 | R | 88.7 | Confident | 82.4 | Confident | 114.75 Ų | 114.75 | 60 Ų | 60 | 43% | 0.433 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 120.9 | 176 | 175.1 | 171.2 | -70.5 | 170.5 | -1.8 | 109.3 | V1285 V1922 I1923 D1924 L2032 | V1285-R2030 HydrophobicContact CB-CB 4.12Å; V1285-R2030 HydrophobicContact CB-CG 4.41Å; V1285-R2030 HydrophobicContact CG1-CB 4.48Å; V1285-R2030 PolarHBondContact N-O 3.28Å; V1285-R2030 WeakPolarHBondContact O-CB 3.43Å; V1285-R2030 PolarHBondContact O-N 3.05Å; V1922-R2030 HydrophobicContact CG1-CG 3.86Å; I1923-R2030 WeakPolarHBondContact O-CA 3.34Å; D1924-R2030 WeakPolarHBondContact OD1-CB 3.3Å; D1924-R2030 VanDerWaalsContact OD1-CG 3.29Å; D1924-R2030 WeakPolarHBondContact OD1-CG 3.31Å; D1924-R2030 IonicContact OD1-CZ 3.21Å; D1924-R2030 IonicContact OD1-NE 3.28Å; D1924-R2030 PolarHBondContact OD1-NE 3.04Å; D1924-R2030 IonicContact OD1-NH2 3.04Å; D1924-R2030 PolarHBondContact OD1-NH2 2.97Å; D1924-R2030 IonicContact OD2-CZ 3.4Å; D1924-R2030 IonicContact OD2-NE 3.24Å; D1924-R2030 PolarHBondContact OD2-NE 3.23Å; D1924-R2030 IonicContact OD2-NH2 3.15Å; D1924-R2030 PolarHBondContact OD2-NH2 3.17Å; R2030-L2032 HydrophobicContact CG-CD2 4.12Å; R2030-L2032 HydrophobicContact CG-CG 4.38Å |
| 2031 | I | 89.4 | Confident | 81.3 | Confident | 7.75 Ų | 7.75 | 63 Ų | 63 | 4% | 0.04 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 128 | 179.5 | -52.2 | 170.5 | 0 | 0 | 0 | 108.3 | L1284 V1922 I1923 L1938 V1940 L2015 V2029 I2033 L2048 | L1284-I2031 HydrophobicContact CD1-CG1 3.54Å; V1922-I2031 WeakPolarHBondContact CA-O 3.2Å; I1923-I2031 HydrophobicContact CB-CB 4.16Å; I1923-I2031 HydrophobicContact CB-CD1 4.49Å; I1923-I2031 HydrophobicContact CD1-CB 4.48Å; I1923-I2031 HydrophobicContact CD1-CG2 4.41Å; I1923-I2031 HydrophobicContact CG2-CD1 4.48Å; I1923-I2031 PolarHBondContact N-O 3.22Å; I1923-I2031 PolarHBondContact O-N 3Å; L1938-I2031 HydrophobicContact CD2-CD1 4.09Å; V1940-I2031 HydrophobicContact CG2-CD1 3.77Å; L2015-I2031 HydrophobicContact CD1-CB 4.49Å; L2015-I2031 HydrophobicContact CD1-CD1 4.46Å; L2015-I2031 HydrophobicContact CD1-CG1 4.43Å; L2015-I2031 HydrophobicContact CD1-CG2 3.38Å; L2015-I2031 HydrophobicContact CD2-CG2 3.89Å; V2029-I2031 HydrophobicContact CG1-CD1 4.38Å; V2029-I2031 HydrophobicContact CG1-CG1 4.1Å; I2031-I2033 HydrophobicContact CG2-CD1 4.28Å; I2031-I2033 HydrophobicContact CG2-CG1 4.13Å; I2031-L2048 HydrophobicContact CD1-CD2 4.11Å |
| 2032 | L | 87.4 | Confident | 80.4 | Confident | 27.75 Ų | 27.75 | 66.4 Ų | 66.4 | 15% | 0.145 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 111.1 | 179.6 | -59.2 | 177.8 | 0 | 0 | 0 | 109.2 | P1282 V1285 L1881 I1886 F1920 V1922 R2030 | P1282-L2032 WeakPolarHBondContact CD-O 3.39Å; P1282-L2032 HydrophobicContact CG-CB 3.69Å; P1282-L2032 HydrophobicContact CG-CD1 4.4Å; P1282-L2032 WeakPolarHBondContact CG-O 3.21Å; V1285-L2032 HydrophobicContact CG2-CD1 3.8Å; V1285-L2032 HydrophobicContact CG2-CG 4.3Å; L1881-L2032 HydrophobicContact CD1-CD2 4.34Å; L1881-L2032 HydrophobicContact CD2-CD1 4.02Å; L1881-L2032 HydrophobicContact CD2-CD2 4.02Å; I1886-L2032 HydrophobicContact CG1-CD1 4.43Å; I1886-L2032 HydrophobicContact CG2-CD1 4.44Å; F1920-L2032 HydrophobicContact CB-CB 4.47Å; F1920-L2032 HydrophobicContact CB-CD2 4.41Å; F1920-L2032 HydrophobicContact CD1-CB 4.04Å; F1920-L2032 HydrophobicContact CG-CB 4.38Å; V1922-L2032 HydrophobicContact CB-CD2 4.35Å; V1922-L2032 HydrophobicContact CG1-CD2 4.1Å; V1922-L2032 HydrophobicContact CG2-CD2 3.8Å; R2030-L2032 HydrophobicContact CG-CD2 4.12Å; R2030-L2032 HydrophobicContact CG-CG 4.38Å |
| 2033 | I | 85.9 | Confident | 79.9 | Confident | 9.5 Ų | 9.5 | 68 Ų | 68 | 5% | 0.049 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 128.3 | 175.7 | -60.7 | 168.8 | 0 | 0 | 0 | 107.8 | F1262 F1920 W1921 I1923 V1940 L2014 L2015 I2031 G2035 F2046 | F1262-I2033 HydrophobicContact CE2-CG2 3.92Å; F1262-I2033 HydrophobicContact CZ-CG2 4.38Å; F1920-I2033 CarbonylContact C-O 3.45Å; F1920-I2033 VanDerWaalsContact CA-O 3.3Å; F1920-I2033 WeakPolarHBondContact CA-O 3.42Å; W1921-I2033 HydrophobicContact CB-CB 4.14Å; W1921-I2033 WeakPolarHBondContact CB-O 3.4Å; W1921-I2033 PolarHBondContact N-O 3.02Å; W1921-I2033 PolarHBondContact O-N 2.99Å; I1923-I2033 HydrophobicContact CD1-CD1 3.86Å; V1940-I2033 HydrophobicContact CG1-CD1 4.34Å; L2014-I2033 HydrophobicContact CD1-CD1 4.44Å; L2014-I2033 HydrophobicContact CD2-CB 4.5Å; L2014-I2033 HydrophobicContact CD2-CD1 3.73Å; L2014-I2033 HydrophobicContact CD2-CG1 3.99Å; L2014-I2033 HydrophobicContact CD2-CG2 3.85Å; L2015-I2033 HydrophobicContact CD1-CD1 4.29Å; L2015-I2033 HydrophobicContact CD1-CG1 4.32Å; I2031-I2033 HydrophobicContact CG2-CD1 4.28Å; I2031-I2033 HydrophobicContact CG2-CG1 4.13Å; I2033-G2035 PolarHBondContact O-N 3.22Å; I2033-F2046 HydrophobicContact CB-CZ 4.43Å; I2033-F2046 HydrophobicContact CD1-CD1 3.84Å; I2033-F2046 HydrophobicContact CD1-CE1 3.51Å; I2033-F2046 VanDerWaalsContact CD1-CE1 3.46Å; I2033-F2046 HydrophobicContact CD1-CE2 4.39Å; I2033-F2046 HydrophobicContact CD1-CG 4.43Å; I2033-F2046 HydrophobicContact CD1-CZ 3.82Å; I2033-F2046 HydrophobicContact CG2-CE1 4.33Å; I2033-F2046 HydrophobicContact CG2-CZ 4.18Å |
| 2034 | P | 83.8 | Confident | 79.8 | Confident | 60.5 Ų | 60.5 | 61.8 Ų | 61.8 | 39% | 0.393 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.4 | 131 | 179.4 | -25.7 | 33.5 | 0 | 0 | 0 | 111.9 | F1262 L1264 F1920 | F1262-P2034 HydrophobicContact CZ-CB 4.12Å; F1262-P2034 HydrophobicContact CZ-CG 4.03Å; L1264-P2034 HydrophobicContact CD1-CB 4.48Å; L1264-P2034 WeakPolarHBondContact CD1-O 3.49Å; F1920-P2034 HydrophobicContact CD1-CB 4.41Å; F1920-P2034 HydrophobicContact CD1-CG 4.32Å; F1920-P2034 HydrophobicContact CE1-CB 4.37Å; F1920-P2034 HydrophobicContact CE1-CG 4.12Å |
| 2035 | G | 79.3 | Confident | 79.7 | Confident | 14.25 Ų | 14.25 | 56.9 Ų | 56.9 | 15% | 0.147 | 28% | 0.28 | C | S | . | . | trans | -110.6 | 165.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R1919 I2033 | R1919-G2035 WeakPolarHBondContact O-CA 3.2Å; R1919-G2035 PolarHBondContact O-N 3.21Å; I2033-G2035 PolarHBondContact O-N 3.22Å | ||
| 2036 | P | 76.1 | Confident | 79.7 | Confident | 31 Ų | 31 | 52 Ų | 52 | 20% | 0.201 | 26% | 0.261 | C | S | . | . | trans | -66.2 | 146.7 | 176 | 29.7 | -35.9 | 0 | 0 | 0 | 111.2 | R1919 W1921 I2038 P2040 | R1919-P2036 WeakPolarHBondContact CD-O 3.36Å; R1919-P2036 WeakPolarHBondContact CG-O 3.42Å; R1919-P2036 PolarHBondContact NH1-O 3.04Å; W1921-P2036 HydrophobicContact CZ2-CG 4.32Å; P2036-I2038 VanDerWaalsContact C-N 3.28Å; P2036-I2038 CarbonylContact C-O 3.58Å; P2036-I2038 WeakPolarHBondContact CB-O 3.4Å; P2036-I2038 WeakPolarHBondContact CG-O 3.13Å; P2036-I2038 PolarHBondContact O-N 3Å; P2036-P2040 HydrophobicContact CG-CB 4.3Å; P2036-P2040 HydrophobicContact CG-CG 4.12Å | ||
| 2037 | T | 69.4 | Low | 79.7 | Confident | 107.5 Ų | 107.5 | 49 Ų | 49 | 66% | 0.66 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -67.3 | -36.1 | 179 | 49.4 | 0 | 0 | 0 | 0 | 112.3 | W1880 R1919 | W1880-T2037 HydrophobicContact CH2-CG2 4.35Å; R1919-T2037 WeakPolarHBondContact CD-O 3.44Å; R1919-T2037 PolarHBondContact NH1-O 3.21Å; R1919-T2037 VanDerWaalsContact NH1-O 3.12Å |
| 2038 | I | 66.7 | Low | 79.8 | Confident | 134.5 Ų | 134.5 | 48.4 Ų | 48.4 | 69% | 0.69 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -94 | 143.7 | 174.8 | -58.6 | 169.6 | 0 | 0 | 0 | 108.2 | R1919 P2036 P2040 | R1919-I2038 PolarHBondContact NH1-O 3.24Å; R1919-I2038 VanDerWaalsContact NH1-O 3.12Å; P2036-I2038 VanDerWaalsContact C-N 3.28Å; P2036-I2038 CarbonylContact C-O 3.58Å; P2036-I2038 WeakPolarHBondContact CB-O 3.4Å; P2036-I2038 WeakPolarHBondContact CG-O 3.13Å; P2036-I2038 PolarHBondContact O-N 3Å; I2038-P2040 WeakPolarHBondContact O-CD 3.47Å |
| 2039 | E | 69.5 | Low | 79.8 | Confident | 43.25 Ų | 43.25 | 44.2 Ų | 44.2 | 20% | 0.202 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -62.9 | 124.6 | 176.6 | -167.2 | 110.7 | -153.1 | 0 | 0 | 109.6 | L1878 R1919 R2063 R2074 R2075 | L1878-E2039 HydrophobicContact CD2-CB 4.31Å; L1878-E2039 HydrophobicContact CD2-CG 3.96Å; R1919-E2039 IonicContact CZ-OE2 3.5Å; R1919-E2039 VanDerWaalsContact NH1-N 3.11Å; R1919-E2039 IonicContact NH1-OE2 3.44Å; R1919-E2039 PolarHBondContact NH1-OE2 2.65Å; R1919-E2039 IonicContact NH2-OE2 3.33Å; R1919-E2039 PolarHBondContact NH2-OE2 3.21Å; E2039-R2063 IonicContact OE1-CZ 3.18Å; E2039-R2063 IonicContact OE1-NE 3.77Å; E2039-R2063 IonicContact OE1-NH1 3.43Å; E2039-R2063 PolarHBondContact OE1-NH1 3.38Å; E2039-R2063 VanDerWaalsContact OE1-NH1 3.11Å; E2039-R2063 IonicContact OE1-NH2 3.06Å; E2039-R2063 PolarHBondContact OE1-NH2 3.13Å; E2039-R2063 IonicContact OE2-NH2 3.75Å; E2039-R2074 IonicContact OE1-NH1 3.98Å; E2039-R2075 IonicContact OE2-CZ 2.71Å; E2039-R2075 IonicContact OE2-NE 2.65Å; E2039-R2075 PolarHBondContact OE2-NE 2.74Å; E2039-R2075 IonicContact OE2-NH2 3.77Å; E2039-R2075 PolarHBondContact OE2-NH2 3.43Å |
| 2040 | P | 67.3 | Low | 79.8 | Confident | 14.75 Ų | 14.75 | 43.5 Ų | 43.5 | 10% | 0.096 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -73.7 | 141.4 | -174.8 | 27.8 | -30.9 | 0 | 0 | 0 | 111.3 | L1878 W1921 P2036 I2038 Y2042 | L1878-P2040 HydrophobicContact CD2-CG 4.37Å; W1921-P2040 HydrophobicContact CH2-CG 3.87Å; W1921-P2040 HydrophobicContact CZ2-CG 3.92Å; P2036-P2040 HydrophobicContact CG-CB 4.3Å; P2036-P2040 HydrophobicContact CG-CG 4.12Å; I2038-P2040 WeakPolarHBondContact O-CD 3.47Å; P2040-Y2042 VanDerWaalsContact C-N 3.28Å; P2040-Y2042 HydrophobicContact CB-CD1 3.63Å; P2040-Y2042 HydrophobicContact CB-CD2 4.12Å; P2040-Y2042 HydrophobicContact CB-CE1 3.28Å; P2040-Y2042 HydrophobicContact CB-CE2 3.91Å; P2040-Y2042 HydrophobicContact CB-CG 4.09Å; P2040-Y2042 VanDerWaalsContact CB-CZ 3.48Å; P2040-Y2042 HydrophobicContact CG-CE1 4.34Å; P2040-Y2042 HydrophobicContact CG-CE2 4.43Å; P2040-Y2042 PolarHBondContact O-N 2.77Å |
| 2041 | D | 63 | Low | 79.8 | Confident | 73.75 Ų | 73.75 | 40.9 Ų | 40.9 | 39% | 0.394 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -87.2 | 12.8 | 174.5 | -2.2 | -18.2 | 0 | 0 | 0 | 112.7 | S1270 L2068 M2071 R2075 | S1270-D2041 PolarHBondContact OG-OD2 3.36Å; D2041-L2068 HydrophobicContact CB-CD1 3.79Å; D2041-M2071 HydrophobicContact CB-SD 4.45Å; D2041-R2075 IonicContact OD1-CZ 3.71Å; D2041-R2075 IonicContact OD1-NE 3.92Å; D2041-R2075 IonicContact OD1-NH2 2.71Å; D2041-R2075 PolarHBondContact OD1-NH2 3.39Å; D2041-R2075 IonicContact OD2-CZ 3.92Å; D2041-R2075 IonicContact OD2-NH2 2.94Å; D2041-R2075 PolarHBondContact OD2-NH2 3.21Å |
| 2042 | Y | 69 | Low | 79.7 | Confident | 75.5 Ų | 75.5 | 41.5 Ų | 41.5 | 30% | 0.296 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -124.1 | 152.7 | -178 | 59.2 | -96.5 | 0 | 0 | 0 | 111.2 | L1264 S1265 P1266 P2040 K2044 V2065 | L1264-Y2042 PolarHBondContact O-OH 2.93Å; L1264-Y2042 VanDerWaalsContact O-OH 3.11Å; S1265-Y2042 WeakPolarHBondContact CB-OH 3.29Å; P1266-Y2042 VanDerWaalsContact CD-CE2 3.48Å; P1266-Y2042 HydrophobicContact CG-CD1 4.05Å; P1266-Y2042 HydrophobicContact CG-CD2 3.75Å; P1266-Y2042 HydrophobicContact CG-CE1 4.42Å; P1266-Y2042 HydrophobicContact CG-CE2 4.15Å; P1266-Y2042 HydrophobicContact CG-CG 3.69Å; P2040-Y2042 VanDerWaalsContact C-N 3.28Å; P2040-Y2042 HydrophobicContact CB-CD1 3.63Å; P2040-Y2042 HydrophobicContact CB-CD2 4.12Å; P2040-Y2042 HydrophobicContact CB-CE1 3.28Å; P2040-Y2042 HydrophobicContact CB-CE2 3.91Å; P2040-Y2042 HydrophobicContact CB-CG 4.09Å; P2040-Y2042 VanDerWaalsContact CB-CZ 3.48Å; P2040-Y2042 HydrophobicContact CG-CE1 4.34Å; P2040-Y2042 HydrophobicContact CG-CE2 4.43Å; P2040-Y2042 PolarHBondContact O-N 2.77Å; Y2042-K2044 HydrophobicContact CE2-CB 4.38Å; Y2042-K2044 HydrophobicContact CE2-CD 4.26Å; Y2042-K2044 PolarHBondContact O-N 3.39Å; Y2042-V2065 VanDerWaalsContact C-CG2 3.45Å; Y2042-V2065 WeakPolarHBondContact O-CG2 3.46Å |
| 2043 | E | 71.9 | Confident | 79.5 | Confident | 98 Ų | 98 | 42.8 Ų | 42.8 | 46% | 0.458 | 23% | 0.232 | S | C | . | . | trans | -71.6 | 135.1 | 173 | -4.1 | -173 | 172.2 | 0 | 0 | 109.8 | R2063 A2064 V2065 | E2043-R2063 WeakPolarHBondContact CA-O 3.35Å; E2043-A2064 WeakPolarHBondContact OE1-CA 3.4Å; E2043-V2065 HydrophobicContact CB-CG2 4.23Å; E2043-V2065 HydrophobicContact CG-CB 4.04Å; E2043-V2065 HydrophobicContact CG-CG2 3.64Å; E2043-V2065 VanDerWaalsContact N-CG2 3.29Å | ||
| 2044 | K | 79.1 | Confident | 79.2 | Confident | 22.25 Ų | 22.25 | 46 Ų | 46 | 10% | 0.097 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 134.4 | 172.2 | -168.4 | 64.5 | -178.3 | 170.6 | 0 | 109.6 | E1263 L1876 W1921 D1943 N1944 Y2042 F2046 R2063 | E1263-K2044 PolarHBondContact O-NZ 2.87Å; L1876-K2044 WeakPolarHBondContact CD2-O 3.45Å; W1921-K2044 HydrophobicContact CD2-CG 4.27Å; W1921-K2044 HydrophobicContact CE3-CG 4.48Å; W1921-K2044 HydrophobicContact CH2-CB 3.73Å; W1921-K2044 HydrophobicContact CH2-CG 4.27Å; W1921-K2044 HydrophobicContact CZ2-CB 3.82Å; W1921-K2044 HydrophobicContact CZ2-CG 4.01Å; W1921-K2044 HydrophobicContact CZ3-CB 4.28Å; W1921-K2044 HydrophobicContact CZ3-CG 4.36Å; D1943-K2044 PolarHBondContact O-NZ 2.83Å; N1944-K2044 PolarHBondContact OD1-NZ 3.1Å; Y2042-K2044 HydrophobicContact CE2-CB 4.38Å; Y2042-K2044 HydrophobicContact CE2-CD 4.26Å; Y2042-K2044 PolarHBondContact O-N 3.39Å; K2044-F2046 HydrophobicContact CD-CZ 4.48Å; K2044-F2046 VanDerWaalsContact CE-CZ 3.45Å; K2044-F2046 HydrophobicContact CG-CE2 4Å; K2044-F2046 HydrophobicContact CG-CZ 4.27Å; K2044-R2063 PolarHBondContact N-O 3.18Å; K2044-R2063 PolarHBondContact O-N 3.25Å; K2044-R2063 VanDerWaalsContact O-N 3.09Å |
| 2045 | S | 83.2 | Confident | 79.1 | Confident | 5 Ų | 5 | 45.9 Ų | 45.9 | 4% | 0.035 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 155.1 | 173.9 | 50.1 | 0 | 0 | 0 | 0 | 111.9 | D1943 V2061 | D1943-S2045 WeakPolarHBondContact CB-O 3.25Å; D1943-S2045 VanDerWaalsContact CB-OG 3.28Å; D1943-S2045 WeakPolarHBondContact CB-OG 3.44Å; D1943-S2045 VanDerWaalsContact CG-OG 3.28Å; D1943-S2045 PolarHBondContact N-O 3.04Å; D1943-S2045 VanDerWaalsContact N-O 3.16Å; D1943-S2045 PolarHBondContact O-OG 3.19Å; D1943-S2045 VanDerWaalsContact OD2-CB 3.26Å; D1943-S2045 WeakPolarHBondContact OD2-CB 3.24Å; D1943-S2045 PolarHBondContact OD2-OG 3.3Å; S2045-V2061 CarbonylContact C-O 3.55Å; S2045-V2061 WeakPolarHBondContact CA-O 3.28Å; S2045-V2061 VanDerWaalsContact CB-O 3.25Å; S2045-V2061 WeakPolarHBondContact CB-O 3.42Å |
| 2046 | F | 87.8 | Confident | 79.4 | Confident | 4.25 Ų | 4.25 | 50.4 Ų | 50.4 | 2% | 0.019 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 145 | 170.7 | -65 | -83.7 | 0 | 0 | 0 | 108.6 | L1876 W1921 I1923 V1940 Y1941 L2014 I2033 K2044 L2048 V2061 | L1876-F2046 HydrophobicContact CD1-CD2 3.81Å; L1876-F2046 HydrophobicContact CD1-CE2 3.87Å; L1876-F2046 HydrophobicContact CD2-CD2 3.91Å; L1876-F2046 HydrophobicContact CD2-CE2 4.27Å; L1876-F2046 HydrophobicContact CG-CD2 4.45Å; W1921-F2046 HydrophobicContact CB-CE2 4.02Å; W1921-F2046 HydrophobicContact CB-CZ 4.29Å; W1921-F2046 AromaticContact CD1-CZ 3.98Å; W1921-F2046 HydrophobicContact CD2-CE2 4.35Å; W1921-F2046 AromaticContact CG-CE2 3.93Å; W1921-F2046 HydrophobicContact CG-CE2 4.01Å; W1921-F2046 HydrophobicContact CG-CZ 4.17Å; I1923-F2046 HydrophobicContact CD1-CB 3.95Å; I1923-F2046 HydrophobicContact CD1-CD1 4.46Å; I1923-F2046 HydrophobicContact CD1-CD2 3.9Å; I1923-F2046 HydrophobicContact CD1-CE2 4.48Å; I1923-F2046 HydrophobicContact CD1-CG 3.88Å; I1923-F2046 HydrophobicContact CG1-CD2 4.44Å; V1940-F2046 HydrophobicContact CG1-CD1 4.42Å; Y1941-F2046 WeakPolarHBondContact O-CA 3.22Å; L2014-F2046 HydrophobicContact CD1-CD1 4.48Å; L2014-F2046 HydrophobicContact CD1-CE1 4.29Å; L2014-F2046 HydrophobicContact CD2-CE1 4.39Å; I2033-F2046 HydrophobicContact CB-CZ 4.43Å; I2033-F2046 HydrophobicContact CD1-CD1 3.84Å; I2033-F2046 HydrophobicContact CD1-CE1 3.51Å; I2033-F2046 VanDerWaalsContact CD1-CE1 3.46Å; I2033-F2046 HydrophobicContact CD1-CE2 4.39Å; I2033-F2046 HydrophobicContact CD1-CG 4.43Å; I2033-F2046 HydrophobicContact CD1-CZ 3.82Å; I2033-F2046 HydrophobicContact CG2-CE1 4.33Å; I2033-F2046 HydrophobicContact CG2-CZ 4.18Å; K2044-F2046 HydrophobicContact CD-CZ 4.48Å; K2044-F2046 VanDerWaalsContact CE-CZ 3.45Å; K2044-F2046 HydrophobicContact CG-CE2 4Å; K2044-F2046 HydrophobicContact CG-CZ 4.27Å; F2046-L2048 HydrophobicContact CB-CD1 4.19Å; F2046-V2061 HydrophobicContact CB-CG2 3.96Å; F2046-V2061 PolarHBondContact N-O 3.07Å; F2046-V2061 WeakPolarHBondContact O-CG2 3.34Å; F2046-V2061 PolarHBondContact O-N 3Å |
| 2047 | R | 88.4 | Confident | 79.8 | Confident | 67.25 Ų | 67.25 | 49.4 Ų | 49.4 | 25% | 0.254 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 116.5 | 176.8 | -179.2 | -173 | -179.2 | 176 | 5.8 | 108.5 | Y1941 D1943 V2049 R2056 D2058 R2060 | Y1941-R2047 PolarHBondContact N-O 2.94Å; Y1941-R2047 PolarHBondContact O-N 3.04Å; D1943-R2047 HydrophobicContact CB-CB 4.32Å; R2047-V2049 HydrophobicContact CG-CG2 4.3Å; R2047-R2056 VanDerWaalsContact NH2-NH2 3.17Å; R2047-D2058 WeakPolarHBondContact CG-OD1 3.24Å; R2047-D2058 IonicContact CZ-OD1 3.38Å; R2047-D2058 IonicContact CZ-OD2 3.34Å; R2047-D2058 IonicContact NE-OD1 3.54Å; R2047-D2058 PolarHBondContact NE-OD1 3.28Å; R2047-D2058 VanDerWaalsContact NE-OD1 3.09Å; R2047-D2058 IonicContact NE-OD2 3.31Å; R2047-D2058 PolarHBondContact NE-OD2 3.07Å; R2047-D2058 IonicContact NH2-OD1 2.76Å; R2047-D2058 PolarHBondContact NH2-OD1 2.86Å; R2047-D2058 IonicContact NH2-OD2 2.94Å; R2047-D2058 PolarHBondContact NH2-OD2 3.36Å; R2047-R2060 HydrophobicContact CB-CG 4.47Å |
| 2048 | L | 90.6 | Very high | 80.6 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 118.9 | 177.9 | -65 | 119.5 | 0 | 0 | 0 | 108.2 | A1874 I1923 L1925 L1938 L1939 V1940 I2031 F2046 I2059 V2061 | A1874-L2048 HydrophobicContact CB-CD1 3.93Å; I1923-L2048 HydrophobicContact CD1-CD1 4.45Å; I1923-L2048 HydrophobicContact CD1-CD2 4.17Å; I1923-L2048 HydrophobicContact CG2-CD1 4.06Å; I1923-L2048 HydrophobicContact CG2-CD2 4.02Å; L1925-L2048 HydrophobicContact CD1-CD1 4.47Å; L1925-L2048 HydrophobicContact CD2-CD2 4.31Å; L1938-L2048 HydrophobicContact CD1-CB 4.32Å; L1938-L2048 HydrophobicContact CD1-CD2 4.11Å; L1939-L2048 CarbonylContact O-C 3.56Å; L1939-L2048 WeakPolarHBondContact O-CA 3.4Å; V1940-L2048 HydrophobicContact CB-CD2 4.29Å; V1940-L2048 HydrophobicContact CG1-CD2 4.14Å; V1940-L2048 HydrophobicContact CG2-CD2 3.76Å; V1940-L2048 HydrophobicContact CG2-CG 4.42Å; I2031-L2048 HydrophobicContact CD1-CD2 4.11Å; F2046-L2048 HydrophobicContact CB-CD1 4.19Å; L2048-I2059 HydrophobicContact CB-CB 4.22Å; L2048-I2059 HydrophobicContact CD1-CB 4.47Å; L2048-I2059 HydrophobicContact CD1-CG2 4.44Å; L2048-I2059 PolarHBondContact N-O 3.14Å; L2048-I2059 PolarHBondContact O-N 3.07Å; L2048-V2061 HydrophobicContact CD1-CG1 4.33Å; L2048-V2061 HydrophobicContact CD1-CG2 3.62Å; L2048-V2061 HydrophobicContact CG-CG2 4.2Å |
| 2049 | V | 89.5 | Confident | 81.5 | Confident | 1.25 Ų | 1.25 | 40 Ų | 40 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 116.2 | 176.6 | -175.5 | 0 | 0 | 0 | 0 | 108.5 | L1939 Y1941 R2047 L2051 R2056 L2057 D2058 | L1939-V2049 HydrophobicContact CB-CB 4.18Å; L1939-V2049 HydrophobicContact CD1-CB 4.46Å; L1939-V2049 PolarHBondContact N-O 3.12Å; L1939-V2049 PolarHBondContact O-N 3.18Å; Y1941-V2049 HydrophobicContact CD2-CG2 3.94Å; Y1941-V2049 HydrophobicContact CE2-CB 4.26Å; Y1941-V2049 HydrophobicContact CE2-CG2 3.76Å; R2047-V2049 HydrophobicContact CG-CG2 4.3Å; V2049-L2051 HydrophobicContact CG1-CD2 4.13Å; V2049-L2051 HydrophobicContact CG1-CG 4.46Å; V2049-R2056 HydrophobicContact CG1-CG 3.74Å; V2049-L2057 CarbonylContact C-O 3.52Å; V2049-L2057 VanDerWaalsContact CA-O 3.3Å; V2049-L2057 WeakPolarHBondContact CA-O 3.43Å; V2049-D2058 WeakPolarHBondContact CG1-OD1 3.46Å; V2049-D2058 WeakPolarHBondContact CG2-OD1 3.47Å |
| 2050 | I | 90.2 | Very high | 82.3 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 123.4 | 172.2 | -59.4 | 171 | 0 | 0 | 0 | 107.9 | V1866 L1872 L1925 F1936 R1937 L1938 D2052 R2056 L2057 I2059 | V1866-I2050 HydrophobicContact CG2-CG2 4.08Å; L1872-I2050 HydrophobicContact CD1-CD1 4.27Å; L1925-I2050 HydrophobicContact CD2-CD1 4.19Å; F1936-I2050 HydrophobicContact CB-CG2 4.21Å; F1936-I2050 HydrophobicContact CD2-CG2 3.7Å; F1936-I2050 HydrophobicContact CE2-CG2 4.39Å; F1936-I2050 HydrophobicContact CG-CG2 4.18Å; R1937-I2050 CarbonylContact O-C 3.56Å; R1937-I2050 WeakPolarHBondContact O-CA 3.32Å; L1938-I2050 HydrophobicContact CD1-CG1 3.85Å; I2050-D2052 HydrophobicContact CG2-CB 4.44Å; I2050-R2056 CarbonylContact O-C 3.57Å; I2050-R2056 WeakPolarHBondContact O-CA 3.33Å; I2050-L2057 HydrophobicContact CB-CB 4.19Å; I2050-L2057 HydrophobicContact CB-CD1 4.43Å; I2050-L2057 HydrophobicContact CG2-CD1 4.42Å; I2050-L2057 PolarHBondContact N-O 3.24Å; I2050-L2057 PolarHBondContact O-N 2.92Å; I2050-I2059 HydrophobicContact CD1-CD1 3.85Å |
| 2051 | L | 88.2 | Confident | 83.2 | Confident | 61.5 Ų | 61.5 | 42.1 Ų | 42.1 | 32% | 0.322 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 108.3 | 170.7 | -56.9 | 173.8 | 0 | 0 | 0 | 107.5 | F1936 R1937 L1939 V2049 R2056 | F1936-L2051 WeakPolarHBondContact CA-O 3.32Å; F1936-L2051 WeakPolarHBondContact CB-O 3.34Å; R1937-L2051 HydrophobicContact CB-CB 4.27Å; R1937-L2051 PolarHBondContact N-O 3.04Å; R1937-L2051 PolarHBondContact O-N 3.13Å; L1939-L2051 HydrophobicContact CD1-CD1 3.79Å; L1939-L2051 HydrophobicContact CD1-CG 4.31Å; V2049-L2051 HydrophobicContact CG1-CD2 4.13Å; V2049-L2051 HydrophobicContact CG1-CG 4.46Å; L2051-R2056 HydrophobicContact CD2-CB 3.96Å; L2051-R2056 HydrophobicContact CD2-CG 3.78Å |
| 2052 | D | 86.5 | Confident | 84 | Confident | 20 Ų | 20 | 42.9 Ų | 42.9 | 11% | 0.107 | 21% | 0.209 | C | C | . | . | trans | -105.1 | -177.3 | 179.7 | 90.3 | 14.3 | 0 | 0 | 0 | 111 | A1864 S1865 V1866 F1936 I2050 S2054 N2055 | A1864-D2052 WeakPolarHBondContact O-CB 3.33Å; S1865-D2052 VanDerWaalsContact CA-OD2 3.26Å; S1865-D2052 WeakPolarHBondContact CA-OD2 3.35Å; S1865-D2052 WeakPolarHBondContact CB-OD2 3.16Å; S1865-D2052 PolarHBondContact OG-OD2 3.36Å; V1866-D2052 HydrophobicContact CG2-CB 4.36Å; V1866-D2052 PolarHBondContact N-OD2 3.05Å; F1936-D2052 HydrophobicContact CB-CB 4.38Å; I2050-D2052 HydrophobicContact CG2-CB 4.44Å; D2052-S2054 VanDerWaalsContact C-N 3.27Å; D2052-S2054 PolarHBondContact O-N 3.34Å; D2052-S2054 VanDerWaalsContact O-N 3.17Å; D2052-S2054 WeakPolarHBondContact OD1-CA 3.39Å; D2052-S2054 WeakPolarHBondContact OD1-CB 3.46Å; D2052-S2054 PolarHBondContact OD1-N 2.82Å; D2052-S2054 PolarHBondContact OD1-OG 3.11Å; D2052-N2055 PolarHBondContact N-O 3.15Å; D2052-N2055 WeakPolarHBondContact OD1-CA 3.39Å; D2052-N2055 PolarHBondContact OD1-N 3.08Å | ||
| 2053 | A | 83.5 | Confident | 84.4 | Confident | 54.5 Ų | 54.5 | 42 Ų | 42 | 45% | 0.45 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -59.6 | -25.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | P1863 A1864 | P1863-A2053 HydrophobicContact CB-CB 3.87Å; P1863-A2053 HydrophobicContact CG-CB 4.22Å; P1863-A2053 WeakPolarHBondContact O-CB 3.34Å; A1864-A2053 PolarHBondContact O-N 3.02Å; A1864-A2053 VanDerWaalsContact O-N 3.08Å |
| 2054 | S | 80.6 | Confident | 84.2 | Confident | 76.25 Ų | 76.25 | 40.3 Ų | 40.3 | 53% | 0.533 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -124.2 | -28.2 | -166.1 | 39.7 | 0 | 0 | 0 | 0 | 113.1 | S1865 D2052 | S1865-S2054 PolarHBondContact OG-OG 3.03Å; D2052-S2054 VanDerWaalsContact C-N 3.27Å; D2052-S2054 PolarHBondContact O-N 3.34Å; D2052-S2054 VanDerWaalsContact O-N 3.17Å; D2052-S2054 WeakPolarHBondContact OD1-CA 3.39Å; D2052-S2054 WeakPolarHBondContact OD1-CB 3.46Å; D2052-S2054 PolarHBondContact OD1-N 2.82Å; D2052-S2054 PolarHBondContact OD1-OG 3.11Å |
| 2055 | N | 80.7 | Confident | 83.4 | Confident | 59.25 Ų | 59.25 | 42 Ų | 42 | 32% | 0.317 | 22% | 0.219 | S | C | . | . | trans | -148.9 | 157.2 | -163.1 | -64.5 | -69.5 | 0 | 0 | 0 | 112.6 | R1868 D2052 L2057 | R1868-N2055 VanDerWaalsContact NH2-CB 3.34Å; R1868-N2055 PolarHBondContact NH2-ND2 3.29Å; R1868-N2055 PolarHBondContact NH2-OD1 3.28Å; D2052-N2055 PolarHBondContact N-O 3.15Å; D2052-N2055 WeakPolarHBondContact OD1-CA 3.39Å; D2052-N2055 PolarHBondContact OD1-N 3.08Å; N2055-L2057 HydrophobicContact CB-CD2 4.38Å | ||
| 2056 | R | 85.4 | Confident | 82.3 | Confident | 108.5 Ų | 108.5 | 43.4 Ų | 43.4 | 41% | 0.409 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 115.1 | 164.6 | 174 | 178.1 | 173.1 | 176.6 | -2 | 108.3 | D2003 G2006 R2047 V2049 I2050 L2051 D2058 | D2003-R2056 IonicContact OD2-CZ 3.67Å; D2003-R2056 IonicContact OD2-NH1 2.85Å; D2003-R2056 PolarHBondContact OD2-NH1 2.76Å; G2006-R2056 PolarHBondContact O-NH1 3.04Å; R2047-R2056 VanDerWaalsContact NH2-NH2 3.17Å; V2049-R2056 HydrophobicContact CG1-CG 3.74Å; I2050-R2056 CarbonylContact O-C 3.57Å; I2050-R2056 WeakPolarHBondContact O-CA 3.33Å; L2051-R2056 HydrophobicContact CD2-CB 3.96Å; L2051-R2056 HydrophobicContact CD2-CG 3.78Å; R2056-D2058 IonicContact CZ-OD2 3.09Å; R2056-D2058 IonicContact NE-OD1 3.99Å; R2056-D2058 IonicContact NE-OD2 3.67Å; R2056-D2058 PolarHBondContact NE-OD2 2.84Å; R2056-D2058 IonicContact NH2-OD1 3.42Å; R2056-D2058 IonicContact NH2-OD2 3.44Å; R2056-D2058 PolarHBondContact NH2-OD2 3.34Å |
| 2057 | L | 84.7 | Confident | 81 | Confident | 10.5 Ų | 10.5 | 46.7 Ų | 46.7 | 6% | 0.055 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 125.7 | 175.8 | -55.7 | 167.3 | 0 | 0 | 0 | 108.9 | V1866 R1868 L1872 V2049 I2050 N2055 | V1866-L2057 HydrophobicContact CB-CD1 3.96Å; V1866-L2057 HydrophobicContact CG1-CD1 4.29Å; R1868-L2057 HydrophobicContact CG-CD2 4.21Å; L1872-L2057 HydrophobicContact CD2-CD1 4.16Å; V2049-L2057 CarbonylContact C-O 3.52Å; V2049-L2057 VanDerWaalsContact CA-O 3.3Å; V2049-L2057 WeakPolarHBondContact CA-O 3.43Å; I2050-L2057 HydrophobicContact CB-CB 4.19Å; I2050-L2057 HydrophobicContact CB-CD1 4.43Å; I2050-L2057 HydrophobicContact CG2-CD1 4.42Å; I2050-L2057 PolarHBondContact N-O 3.24Å; I2050-L2057 PolarHBondContact O-N 2.92Å; N2055-L2057 HydrophobicContact CB-CD2 4.38Å |
| 2058 | D | 86.1 | Confident | 79.5 | Confident | 35.5 Ų | 35.5 | 49.5 Ų | 49.5 | 19% | 0.19 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 115.7 | 178.4 | -134.2 | -42 | 0 | 0 | 0 | 109.6 | R2047 V2049 R2056 | R2047-D2058 WeakPolarHBondContact CG-OD1 3.24Å; R2047-D2058 IonicContact CZ-OD1 3.38Å; R2047-D2058 IonicContact CZ-OD2 3.34Å; R2047-D2058 IonicContact NE-OD1 3.54Å; R2047-D2058 PolarHBondContact NE-OD1 3.28Å; R2047-D2058 VanDerWaalsContact NE-OD1 3.09Å; R2047-D2058 IonicContact NE-OD2 3.31Å; R2047-D2058 PolarHBondContact NE-OD2 3.07Å; R2047-D2058 IonicContact NH2-OD1 2.76Å; R2047-D2058 PolarHBondContact NH2-OD1 2.86Å; R2047-D2058 IonicContact NH2-OD2 2.94Å; R2047-D2058 PolarHBondContact NH2-OD2 3.36Å; V2049-D2058 WeakPolarHBondContact CG1-OD1 3.46Å; V2049-D2058 WeakPolarHBondContact CG2-OD1 3.47Å; R2056-D2058 IonicContact CZ-OD2 3.09Å; R2056-D2058 IonicContact NE-OD1 3.99Å; R2056-D2058 IonicContact NE-OD2 3.67Å; R2056-D2058 PolarHBondContact NE-OD2 2.84Å; R2056-D2058 IonicContact NH2-OD1 3.42Å; R2056-D2058 IonicContact NH2-OD2 3.44Å; R2056-D2058 PolarHBondContact NH2-OD2 3.34Å |
| 2059 | I | 86.8 | Confident | 77.9 | Confident | 9.75 Ų | 9.75 | 55.7 Ų | 55.7 | 5% | 0.05 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 113.2 | -174.4 | -49.7 | 171.3 | 0 | 0 | 0 | 108.6 | L1872 A1874 L1925 V1983 L2048 I2050 V2061 | L1872-I2059 HydrophobicContact CD1-CD1 4.24Å; L1872-I2059 HydrophobicContact CD2-CD1 3.87Å; L1872-I2059 HydrophobicContact CG-CD1 4.1Å; A1874-I2059 HydrophobicContact CB-CG2 3.83Å; L1925-I2059 HydrophobicContact CD1-CD1 4.12Å; V1983-I2059 HydrophobicContact CG1-CG1 4.32Å; V1983-I2059 HydrophobicContact CG1-CG2 4.04Å; L2048-I2059 HydrophobicContact CB-CB 4.22Å; L2048-I2059 HydrophobicContact CD1-CB 4.47Å; L2048-I2059 HydrophobicContact CD1-CG2 4.44Å; L2048-I2059 PolarHBondContact N-O 3.14Å; L2048-I2059 PolarHBondContact O-N 3.07Å; I2050-I2059 HydrophobicContact CD1-CD1 3.85Å; I2059-V2061 HydrophobicContact CG2-CG1 4.37Å; I2059-V2061 HydrophobicContact CG2-CG2 4.41Å |
| 2060 | R | 85.8 | Confident | 76.4 | Confident | 97.75 Ų | 97.75 | 57.7 Ų | 57.7 | 37% | 0.369 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 113.6 | 175.7 | -124.6 | 177.7 | -161.3 | 165.6 | 10.7 | 110.2 | D1943 E1984 E1986 R2047 K2062 | D1943-R2060 IonicContact OD1-CZ 2.81Å; D1943-R2060 IonicContact OD1-NE 3Å; D1943-R2060 PolarHBondContact OD1-NE 3.17Å; D1943-R2060 IonicContact OD1-NH2 3.49Å; D1943-R2060 PolarHBondContact OD1-NH2 3.27Å; D1943-R2060 IonicContact OD2-CZ 3.41Å; D1943-R2060 IonicContact OD2-NE 3.38Å; D1943-R2060 PolarHBondContact OD2-NE 3.19Å; D1943-R2060 IonicContact OD2-NH2 3.27Å; D1943-R2060 PolarHBondContact OD2-NH2 2.94Å; E1984-R2060 PolarHBondContact N-O 2.8Å; E1984-R2060 PolarHBondContact O-N 2.79Å; E1984-R2060 VanDerWaalsContact O-N 3.1Å; E1986-R2060 IonicContact OE1-NH2 2.74Å; E1986-R2060 IonicContact OE2-CZ 3.44Å; E1986-R2060 IonicContact OE2-NE 3.31Å; E1986-R2060 IonicContact OE2-NH2 3.65Å; E1986-R2060 PolarHBondContact OE2-NH2 3.41Å; R2047-R2060 HydrophobicContact CB-CG 4.47Å; R2060-K2062 HydrophobicContact CG-CG 4.34Å |
| 2061 | V | 85.7 | Confident | 74.7 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.024 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 120.4 | 174 | -90 | 0 | 0 | 0 | 0 | 109.4 | A1874 L1876 I1923 S2045 F2046 L2048 I2059 | A1874-V2061 HydrophobicContact CB-CG1 3.68Å; A1874-V2061 VanDerWaalsContact CB-CG1 3.44Å; A1874-V2061 HydrophobicContact CB-CG2 3.77Å; L1876-V2061 HydrophobicContact CB-CB 4.06Å; L1876-V2061 HydrophobicContact CB-CG1 3.54Å; L1876-V2061 HydrophobicContact CB-CG2 4.22Å; L1876-V2061 HydrophobicContact CD2-CG2 4.45Å; I1923-V2061 HydrophobicContact CD1-CG2 4.48Å; I1923-V2061 HydrophobicContact CG1-CG2 4.44Å; I1923-V2061 HydrophobicContact CG2-CG2 4.31Å; S2045-V2061 CarbonylContact C-O 3.55Å; S2045-V2061 WeakPolarHBondContact CA-O 3.28Å; S2045-V2061 VanDerWaalsContact CB-O 3.25Å; S2045-V2061 WeakPolarHBondContact CB-O 3.42Å; F2046-V2061 HydrophobicContact CB-CG2 3.96Å; F2046-V2061 PolarHBondContact N-O 3.07Å; F2046-V2061 WeakPolarHBondContact O-CG2 3.34Å; F2046-V2061 PolarHBondContact O-N 3Å; L2048-V2061 HydrophobicContact CD1-CG1 4.33Å; L2048-V2061 HydrophobicContact CD1-CG2 3.62Å; L2048-V2061 HydrophobicContact CG-CG2 4.2Å; I2059-V2061 HydrophobicContact CG2-CG1 4.37Å; I2059-V2061 HydrophobicContact CG2-CG2 4.41Å |
| 2062 | K | 81.1 | Confident | 73.1 | Confident | 90.25 Ų | 90.25 | 58.1 Ų | 58.1 | 39% | 0.392 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 142.1 | -179.5 | -55.6 | -162.3 | 173.2 | 174 | 0 | 110.8 | P1979 A1981 E1984 R2060 | P1979-K2062 HydrophobicContact CB-CB 4.13Å; P1979-K2062 HydrophobicContact CB-CD 3.41Å; P1979-K2062 VanDerWaalsContact CB-CD 3.41Å; P1979-K2062 HydrophobicContact CB-CG 4.36Å; A1981-K2062 WeakPolarHBondContact CA-O 3.5Å; A1981-K2062 WeakPolarHBondContact CB-O 3.41Å; E1984-K2062 IonicContact OE1-NZ 3.55Å; E1984-K2062 PolarHBondContact OE1-NZ 3.2Å; E1984-K2062 IonicContact OE2-NZ 2.72Å; E1984-K2062 PolarHBondContact OE2-NZ 2.79Å; R2060-K2062 HydrophobicContact CG-CG 4.34Å |
| 2063 | R | 76.1 | Confident | 71.5 | Confident | 56 Ų | 56 | 61 Ų | 61 | 21% | 0.211 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 112.3 | 165.7 | -174.4 | -174.8 | -176.8 | -163 | -4.6 | 108.9 | L1876 L1878 W1921 E2039 E2043 K2044 | L1876-R2063 HydrophobicContact CD2-CB 3.93Å; L1876-R2063 HydrophobicContact CG-CB 4.26Å; L1878-R2063 VanDerWaalsContact CB-NH1 3.25Å; W1921-R2063 HydrophobicContact CZ3-CB 4.44Å; E2039-R2063 IonicContact OE1-CZ 3.18Å; E2039-R2063 IonicContact OE1-NE 3.77Å; E2039-R2063 IonicContact OE1-NH1 3.43Å; E2039-R2063 PolarHBondContact OE1-NH1 3.38Å; E2039-R2063 VanDerWaalsContact OE1-NH1 3.11Å; E2039-R2063 IonicContact OE1-NH2 3.06Å; E2039-R2063 PolarHBondContact OE1-NH2 3.13Å; E2039-R2063 IonicContact OE2-NH2 3.75Å; E2043-R2063 WeakPolarHBondContact CA-O 3.35Å; K2044-R2063 PolarHBondContact N-O 3.18Å; K2044-R2063 PolarHBondContact O-N 3.25Å; K2044-R2063 VanDerWaalsContact O-N 3.09Å |
| 2064 | A | 67.6 | Low | 70 | Confident | 61.5 Ų | 61.5 | 62.1 Ų | 62.1 | 51% | 0.508 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 148.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | P1979 E2043 Q2066 P2854 | P1979-A2064 HydrophobicContact CG-CB 4.48Å; E2043-A2064 WeakPolarHBondContact OE1-CA 3.4Å; A2064-Q2066 PolarHBondContact O-N 3.36Å; A2064-P2854 HydrophobicContact CB-CG 4.47Å |
| 2065 | V | 63.8 | Low | 68.7 | Low | 58.5 Ų | 58.5 | 64.4 Ų | 64.4 | 36% | 0.355 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 131.5 | 173.6 | 172.4 | 0 | 0 | 0 | 0 | 109.8 | Y2042 E2043 M2071 | Y2042-V2065 VanDerWaalsContact C-CG2 3.45Å; Y2042-V2065 WeakPolarHBondContact O-CG2 3.46Å; E2043-V2065 HydrophobicContact CB-CG2 4.23Å; E2043-V2065 HydrophobicContact CG-CB 4.04Å; E2043-V2065 HydrophobicContact CG-CG2 3.64Å; E2043-V2065 VanDerWaalsContact N-CG2 3.29Å; V2065-M2071 HydrophobicContact CG1-CE 4.2Å; V2065-M2071 HydrophobicContact CG1-SD 3.95Å |
| 2066 | Q | 59.4 | Low | 67.4 | Low | 35.5 Ų | 35.5 | 65.2 Ų | 65.2 | 17% | 0.166 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 142.2 | 171.4 | -94.7 | -178.7 | -25.8 | 0 | 0 | 110 | A2064 E2070 M2071 V2856 | A2064-Q2066 PolarHBondContact O-N 3.36Å; Q2066-E2070 HydrophobicContact CG-CB 3.86Å; Q2066-E2070 WeakPolarHBondContact CG-OE2 3.3Å; Q2066-E2070 PolarHBondContact NE2-OE1 3.44Å; Q2066-E2070 PolarHBondContact NE2-OE2 3.02Å; Q2066-M2071 HydrophobicContact CB-CE 4.29Å; Q2066-M2071 HydrophobicContact CB-CG 4.02Å; Q2066-M2071 VanDerWaalsContact O-CE 3.27Å; Q2066-M2071 WeakPolarHBondContact O-CE 3.37Å; Q2066-M2071 VanDerWaalsContact O-CG 3.31Å; Q2066-M2071 WeakPolarHBondContact O-CG 3.34Å; Q2066-V2856 HydrophobicContact CG-CG1 3.88Å; Q2066-V2856 HydrophobicContact CG-CG2 4.22Å |
| 2067 | P | 61 | Low | 65.6 | Low | 72.25 Ų | 72.25 | 64.5 Ų | 64.5 | 47% | 0.469 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 148.9 | -177.2 | 23.2 | -32.1 | 0 | 0 | 0 | 112.5 | D2069 E2070 M2071 L2096 | P2067-D2069 VanDerWaalsContact C-N 3.28Å; P2067-D2069 PolarHBondContact O-N 3.05Å; P2067-D2069 VanDerWaalsContact O-N 3.11Å; P2067-E2070 WeakPolarHBondContact CD-OE1 3.5Å; P2067-E2070 HydrophobicContact CG-CB 4.3Å; P2067-E2070 HydrophobicContact CG-CG 4.32Å; P2067-E2070 WeakPolarHBondContact CG-OE1 3.35Å; P2067-E2070 WeakPolarHBondContact CG-OE2 3.49Å; P2067-E2070 WeakPolarHBondContact O-CB 3.24Å; P2067-E2070 PolarHBondContact O-N 3.03Å; P2067-E2070 VanDerWaalsContact O-N 3.07Å; P2067-M2071 PolarHBondContact O-N 2.99Å; P2067-L2096 HydrophobicContact CG-CD1 4.32Å |
| 2068 | L | 56.3 | Low | 63.8 | Low | 126 Ų | 126 | 66.7 Ų | 66.7 | 66% | 0.66 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -51.1 | -40.5 | -169.2 | -120.2 | 92.3 | 0 | 0 | 0 | 114.1 | D2041 E2070 M2071 A2072 | D2041-L2068 HydrophobicContact CB-CD1 3.79Å; L2068-E2070 VanDerWaalsContact C-N 3.34Å; L2068-E2070 PolarHBondContact O-N 3.24Å; L2068-M2071 HydrophobicContact CB-CE 4.35Å; L2068-M2071 HydrophobicContact CD1-CE 3.83Å; L2068-M2071 HydrophobicContact CG-CE 4.09Å; L2068-M2071 PolarHBondContact O-N 3.16Å; L2068-A2072 WeakPolarHBondContact O-CB 3.37Å; L2068-A2072 PolarHBondContact O-N 3.2Å |
| 2069 | D | 56.6 | Low | 62 | Low | 131 Ų | 131 | 72.6 Ų | 72.6 | 70% | 0.701 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -67.9 | -35.6 | -178.5 | -66.7 | -16.2 | 0 | 0 | 0 | 112.5 | P2067 A2072 L2073 K2861 | P2067-D2069 VanDerWaalsContact C-N 3.28Å; P2067-D2069 PolarHBondContact O-N 3.05Å; P2067-D2069 VanDerWaalsContact O-N 3.11Å; D2069-A2072 PolarHBondContact O-N 3.49Å; D2069-L2073 WeakPolarHBondContact O-CB 3.37Å; D2069-L2073 PolarHBondContact O-N 3.33Å; D2069-K2861 VanDerWaalsContact CB-NZ 3.28Å; D2069-K2861 IonicContact OD2-NZ 2.69Å; D2069-K2861 PolarHBondContact OD2-NZ 2.94Å |
| 2070 | E | 58.5 | Low | 59.8 | Low | 42.75 Ų | 42.75 | 78.3 Ų | 78.3 | 20% | 0.2 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -75.1 | -36.6 | 177.1 | -94.4 | -178.3 | -168.3 | 0 | 0 | 111.6 | Q2066 P2067 L2068 A2072 L2073 R2074 L2096 V2856 K2858 L2859 | Q2066-E2070 HydrophobicContact CG-CB 3.86Å; Q2066-E2070 WeakPolarHBondContact CG-OE2 3.3Å; Q2066-E2070 PolarHBondContact NE2-OE1 3.44Å; Q2066-E2070 PolarHBondContact NE2-OE2 3.02Å; P2067-E2070 WeakPolarHBondContact CD-OE1 3.5Å; P2067-E2070 HydrophobicContact CG-CB 4.3Å; P2067-E2070 HydrophobicContact CG-CG 4.32Å; P2067-E2070 WeakPolarHBondContact CG-OE1 3.35Å; P2067-E2070 WeakPolarHBondContact CG-OE2 3.49Å; P2067-E2070 WeakPolarHBondContact O-CB 3.24Å; P2067-E2070 PolarHBondContact O-N 3.03Å; P2067-E2070 VanDerWaalsContact O-N 3.07Å; L2068-E2070 VanDerWaalsContact C-N 3.34Å; L2068-E2070 PolarHBondContact O-N 3.24Å; E2070-A2072 VanDerWaalsContact C-N 3.33Å; E2070-A2072 PolarHBondContact O-N 3.15Å; E2070-L2073 PolarHBondContact O-N 3Å; E2070-R2074 VanDerWaalsContact O-CB 3.26Å; E2070-R2074 WeakPolarHBondContact O-CB 3.32Å; E2070-R2074 PolarHBondContact O-N 3.05Å; E2070-L2096 WeakPolarHBondContact OE1-CB 3.46Å; E2070-L2096 WeakPolarHBondContact OE1-CD2 3.28Å; E2070-L2096 WeakPolarHBondContact OE1-CG 3.39Å; E2070-L2096 WeakPolarHBondContact OE2-CB 3.38Å; E2070-V2856 WeakPolarHBondContact OE2-CG1 3.27Å; E2070-K2858 WeakPolarHBondContact OE1-CA 3.28Å; E2070-K2858 WeakPolarHBondContact OE1-CG 3.45Å; E2070-L2859 HydrophobicContact CB-CD1 3.97Å; E2070-L2859 HydrophobicContact CG-CD1 4.07Å |
| 2071 | M | 54.4 | Low | 57.6 | Low | 22.5 Ų | 22.5 | 78.6 Ų | 78.6 | 11% | 0.111 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -64.5 | -39.6 | 173.1 | -73 | -161.1 | -80.8 | 0 | 0 | 111.6 | D2041 V2065 Q2066 P2067 L2068 L2073 R2074 R2075 | D2041-M2071 HydrophobicContact CB-SD 4.45Å; V2065-M2071 HydrophobicContact CG1-CE 4.2Å; V2065-M2071 HydrophobicContact CG1-SD 3.95Å; Q2066-M2071 HydrophobicContact CB-CE 4.29Å; Q2066-M2071 HydrophobicContact CB-CG 4.02Å; Q2066-M2071 VanDerWaalsContact O-CE 3.27Å; Q2066-M2071 WeakPolarHBondContact O-CE 3.37Å; Q2066-M2071 VanDerWaalsContact O-CG 3.31Å; Q2066-M2071 WeakPolarHBondContact O-CG 3.34Å; P2067-M2071 PolarHBondContact O-N 2.99Å; L2068-M2071 HydrophobicContact CB-CE 4.35Å; L2068-M2071 HydrophobicContact CD1-CE 3.83Å; L2068-M2071 HydrophobicContact CG-CE 4.09Å; L2068-M2071 PolarHBondContact O-N 3.16Å; M2071-L2073 VanDerWaalsContact C-N 3.34Å; M2071-R2074 PolarHBondContact O-N 2.84Å; M2071-R2075 WeakPolarHBondContact O-CB 3.39Å; M2071-R2075 VanDerWaalsContact O-CG 3.26Å; M2071-R2075 WeakPolarHBondContact O-CG 3.33Å; M2071-R2075 PolarHBondContact O-N 3.18Å |
| 2072 | A | 54.6 | Low | 55.3 | Low | 47.25 Ų | 47.25 | 86 Ų | 86 | 39% | 0.39 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.8 | -46.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L2068 D2069 E2070 R2074 R2075 T2076 | L2068-A2072 WeakPolarHBondContact O-CB 3.37Å; L2068-A2072 PolarHBondContact O-N 3.2Å; D2069-A2072 PolarHBondContact O-N 3.49Å; E2070-A2072 VanDerWaalsContact C-N 3.33Å; E2070-A2072 PolarHBondContact O-N 3.15Å; A2072-R2074 PolarHBondContact O-N 3.21Å; A2072-R2075 PolarHBondContact O-N 3.14Å; A2072-T2076 WeakPolarHBondContact O-CG2 3.31Å; A2072-T2076 PolarHBondContact O-N 3.02Å; A2072-T2076 PolarHBondContact O-OG1 3.12Å |
| 2073 | L | 54 | Low | 53.5 | Low | 82.5 Ų | 82.5 | 85.1 Ų | 85.1 | 43% | 0.432 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 177.7 | -155.4 | 77.1 | 0 | 0 | 0 | 112.1 | D2069 E2070 M2071 R2075 T2076 Y2077 L2859 | D2069-L2073 WeakPolarHBondContact O-CB 3.37Å; D2069-L2073 PolarHBondContact O-N 3.33Å; E2070-L2073 PolarHBondContact O-N 3Å; M2071-L2073 VanDerWaalsContact C-N 3.34Å; L2073-R2075 PolarHBondContact O-N 3.03Å; L2073-T2076 VanDerWaalsContact C-OG1 3.28Å; L2073-T2076 WeakPolarHBondContact CA-OG1 3.4Å; L2073-T2076 PolarHBondContact O-N 3.06Å; L2073-T2076 PolarHBondContact O-OG1 3.09Å; L2073-Y2077 HydrophobicContact CD1-CE2 4.16Å; L2073-Y2077 HydrophobicContact CD2-CE2 4.22Å; L2073-Y2077 HydrophobicContact CG-CD2 4.24Å; L2073-Y2077 HydrophobicContact CG-CE2 3.83Å; L2073-Y2077 VanDerWaalsContact O-CD2 3.29Å; L2073-Y2077 WeakPolarHBondContact O-CD2 3.36Å; L2073-Y2077 PolarHBondContact O-N 3.29Å; L2073-Y2077 VanDerWaalsContact O-N 3.1Å; L2073-L2859 HydrophobicContact CB-CD2 4.46Å; L2073-L2859 HydrophobicContact CD2-CB 3.56Å; L2073-L2859 HydrophobicContact CD2-CD2 4.07Å; L2073-L2859 HydrophobicContact CD2-CG 4.31Å |
| 2074 | R | 51.6 | Low | 51.7 | Low | 77.25 Ų | 77.25 | 89.3 Ų | 89.3 | 29% | 0.292 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.2 | -37.7 | 175.5 | -107.9 | -178.2 | 175.7 | 175.4 | -2.6 | 112.6 | E2039 E2070 M2071 A2072 T2076 Y2077 G2078 V2090 L2093 | E2039-R2074 IonicContact OE1-NH1 3.98Å; E2070-R2074 VanDerWaalsContact O-CB 3.26Å; E2070-R2074 WeakPolarHBondContact O-CB 3.32Å; E2070-R2074 PolarHBondContact O-N 3.05Å; M2071-R2074 PolarHBondContact O-N 2.84Å; A2072-R2074 PolarHBondContact O-N 3.21Å; R2074-T2076 VanDerWaalsContact C-N 3.32Å; R2074-T2076 PolarHBondContact O-N 3.13Å; R2074-Y2077 PolarHBondContact O-N 2.96Å; R2074-G2078 VanDerWaalsContact O-CA 3.28Å; R2074-G2078 WeakPolarHBondContact O-CA 3.22Å; R2074-G2078 PolarHBondContact O-N 3.09Å; R2074-V2090 HydrophobicContact CB-CG1 4.48Å; R2074-V2090 HydrophobicContact CG-CG1 4.11Å; R2074-L2093 PolarHBondContact NH2-O 2.86Å |
| 2075 | R | 52.7 | Low | 50.5 | Low | 123.75 Ų | 123.75 | 90.2 Ų | 90.2 | 47% | 0.467 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.6 | -37.2 | 174 | -74.6 | 179.1 | -160.4 | 124.7 | -1.1 | 111.9 | E2039 D2041 M2071 A2072 L2073 Y2077 G2078 Q2079 | E2039-R2075 IonicContact OE2-CZ 2.71Å; E2039-R2075 IonicContact OE2-NE 2.65Å; E2039-R2075 PolarHBondContact OE2-NE 2.74Å; E2039-R2075 IonicContact OE2-NH2 3.77Å; E2039-R2075 PolarHBondContact OE2-NH2 3.43Å; D2041-R2075 IonicContact OD1-CZ 3.71Å; D2041-R2075 IonicContact OD1-NE 3.92Å; D2041-R2075 IonicContact OD1-NH2 2.71Å; D2041-R2075 PolarHBondContact OD1-NH2 3.39Å; D2041-R2075 IonicContact OD2-CZ 3.92Å; D2041-R2075 IonicContact OD2-NH2 2.94Å; D2041-R2075 PolarHBondContact OD2-NH2 3.21Å; M2071-R2075 WeakPolarHBondContact O-CB 3.39Å; M2071-R2075 VanDerWaalsContact O-CG 3.26Å; M2071-R2075 WeakPolarHBondContact O-CG 3.33Å; M2071-R2075 PolarHBondContact O-N 3.18Å; A2072-R2075 PolarHBondContact O-N 3.14Å; L2073-R2075 PolarHBondContact O-N 3.03Å; R2075-Y2077 VanDerWaalsContact C-N 3.35Å; R2075-G2078 PolarHBondContact O-N 3.33Å; R2075-Q2079 PolarHBondContact O-N 3.15Å |
| 2076 | T | 53.4 | Low | 49.3 | Very low | 75.5 Ų | 75.5 | 98.2 Ų | 98.2 | 46% | 0.463 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.6 | -36.8 | 175.3 | 52.8 | 0 | 0 | 0 | 0 | 112.7 | A2072 L2073 R2074 G2078 Q2079 L2080 | A2072-T2076 WeakPolarHBondContact O-CG2 3.31Å; A2072-T2076 PolarHBondContact O-N 3.02Å; A2072-T2076 PolarHBondContact O-OG1 3.12Å; L2073-T2076 VanDerWaalsContact C-OG1 3.28Å; L2073-T2076 WeakPolarHBondContact CA-OG1 3.4Å; L2073-T2076 PolarHBondContact O-N 3.06Å; L2073-T2076 PolarHBondContact O-OG1 3.09Å; R2074-T2076 VanDerWaalsContact C-N 3.32Å; R2074-T2076 PolarHBondContact O-N 3.13Å; T2076-G2078 VanDerWaalsContact C-N 3.35Å; T2076-Q2079 PolarHBondContact O-N 2.82Å; T2076-L2080 WeakPolarHBondContact O-CD1 3.49Å |
| 2077 | Y | 47.6 | Very low | 48.3 | Very low | 93.5 Ų | 93.5 | 100 Ų | 100 | 37% | 0.367 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -79.2 | -29 | 175.5 | -71.1 | -62.1 | 0 | 0 | 0 | 113.7 | L2073 R2074 R2075 Q2079 L2080 L2089 V2090 L2093 R2701 | L2073-Y2077 HydrophobicContact CD1-CE2 4.16Å; L2073-Y2077 HydrophobicContact CD2-CE2 4.22Å; L2073-Y2077 HydrophobicContact CG-CD2 4.24Å; L2073-Y2077 HydrophobicContact CG-CE2 3.83Å; L2073-Y2077 VanDerWaalsContact O-CD2 3.29Å; L2073-Y2077 WeakPolarHBondContact O-CD2 3.36Å; L2073-Y2077 PolarHBondContact O-N 3.29Å; L2073-Y2077 VanDerWaalsContact O-N 3.1Å; R2074-Y2077 PolarHBondContact O-N 2.96Å; R2075-Y2077 VanDerWaalsContact C-N 3.35Å; Y2077-Q2079 VanDerWaalsContact C-N 3.26Å; Y2077-Q2079 PolarHBondContact O-N 2.94Å; Y2077-L2080 HydrophobicContact CD1-CD1 4.36Å; Y2077-L2080 WeakPolarHBondContact O-CB 3.49Å; Y2077-L2080 PolarHBondContact O-N 3.47Å; Y2077-L2080 VanDerWaalsContact O-N 3.1Å; Y2077-L2089 HydrophobicContact CD1-CD2 3.71Å; Y2077-L2089 HydrophobicContact CE1-CD2 3.56Å; Y2077-V2090 VanDerWaalsContact CB-CG2 3.47Å; Y2077-L2093 HydrophobicContact CD2-CD1 3.69Å; Y2077-L2093 HydrophobicContact CE2-CD1 3.8Å; Y2077-R2701 HydrophobicContact CD1-CG 4.14Å; Y2077-R2701 HydrophobicContact CE1-CG 4.27Å |
| 2078 | G | 47.6 | Very low | 47.7 | Very low | 57.25 Ų | 57.25 | 100.3 Ų | 100.3 | 59% | 0.59 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -74.5 | -12.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | R2074 R2075 T2076 L2080 | R2074-G2078 VanDerWaalsContact O-CA 3.28Å; R2074-G2078 WeakPolarHBondContact O-CA 3.22Å; R2074-G2078 PolarHBondContact O-N 3.09Å; R2075-G2078 PolarHBondContact O-N 3.33Å; T2076-G2078 VanDerWaalsContact C-N 3.35Å; G2078-L2080 PolarHBondContact O-N 3.2Å |
| 2079 | Q | 48 | Very low | 47.1 | Very low | 160.25 Ų | 160.25 | 100 Ų | 100 | 75% | 0.749 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -3.3 | 174.4 | -90.2 | -179.4 | -14.8 | 0 | 0 | 113.7 | R2075 T2076 Y2077 S2081 | R2075-Q2079 PolarHBondContact O-N 3.15Å; T2076-Q2079 PolarHBondContact O-N 2.82Å; Y2077-Q2079 VanDerWaalsContact C-N 3.26Å; Y2077-Q2079 PolarHBondContact O-N 2.94Å; Q2079-S2081 PolarHBondContact O-N 3.19Å; Q2079-S2081 VanDerWaalsContact O-N 3.14Å |
| 2080 | L | 41 | Very low | 46.6 | Very low | 129 Ų | 129 | 96.3 Ų | 96.3 | 68% | 0.675 | 54% | 0.544 | S | S | * | . | trans | -78.4 | 64.6 | 173.1 | -94.1 | 99 | 0 | 0 | 0 | 111.1 | T2076 Y2077 G2078 D2082 | T2076-L2080 WeakPolarHBondContact O-CD1 3.49Å; Y2077-L2080 HydrophobicContact CD1-CD1 4.36Å; Y2077-L2080 WeakPolarHBondContact O-CB 3.49Å; Y2077-L2080 PolarHBondContact O-N 3.47Å; Y2077-L2080 VanDerWaalsContact O-N 3.1Å; G2078-L2080 PolarHBondContact O-N 3.2Å; L2080-D2082 PolarHBondContact O-N 3.43Å | ||
| 2081 | S | 39.4 | Very low | 46.1 | Very low | 103.75 Ų | 103.75 | 98.1 Ų | 98.1 | 73% | 0.726 | 56% | 0.555 | S | S | * | * | trans | -88.2 | 111.3 | -178.7 | -171.2 | 0 | 0 | 0 | 0 | 113.4 | Q2079 G2083 | Q2079-S2081 PolarHBondContact O-N 3.19Å; Q2079-S2081 VanDerWaalsContact O-N 3.14Å; S2081-G2083 PolarHBondContact O-N 3.37Å | ||
| 2082 | D | 37.5 | Very low | 45.8 | Very low | 158.75 Ų | 158.75 | 102.4 Ų | 102.4 | 85% | 0.849 | 58% | 0.578 | S | S | * | * | trans | -98.3 | 118.7 | 171.9 | -81.7 | -26.3 | 0 | 0 | 0 | 114.3 | L2080 D2084 | L2080-D2082 PolarHBondContact O-N 3.43Å; D2082-D2084 PolarHBondContact O-N 3.12Å | ||
| 2083 | G | 42 | Very low | 45.4 | Very low | 72.25 Ų | 72.25 | 103.3 Ų | 103.3 | 75% | 0.745 | 58% | 0.576 | S | S | * | * | trans | 162.3 | -16.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 115 | S2081 | S2081-G2083 PolarHBondContact O-N 3.37Š| ||
| 2084 | D | 39.3 | Very low | 45 | Very low | 143.25 Ų | 143.25 | 101.9 Ų | 101.9 | 77% | 0.766 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -117.1 | 93.6 | -175 | -71 | -29.8 | 0 | 0 | 0 | 113.8 | D2082 R2086 P2087 | D2082-D2084 PolarHBondContact O-N 3.12Å; D2084-R2086 PolarHBondContact O-N 2.96Å; D2084-P2087 WeakPolarHBondContact O-CD 3.41Å |
| 2085 | G | 41.1 | Very low | 44.9 | Very low | 81.75 Ų | 81.75 | 100.4 Ų | 100.4 | 84% | 0.843 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -2 | 21.3 | 163 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 2086 | R | 39.4 | Very low | 44.7 | Very low | 226 Ų | 226 | 98.2 Ų | 98.2 | 85% | 0.853 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -107.6 | 98.5 | 175.1 | -85.6 | -177.5 | 167.8 | 172.1 | -2.8 | 113 | D2084 T2088 | D2084-R2086 PolarHBondContact O-N 2.96Å; R2086-T2088 VanDerWaalsContact C-N 3.3Å; R2086-T2088 PolarHBondContact O-N 3.09Å; R2086-T2088 VanDerWaalsContact O-N 3.09Å |
| 2087 | P | 39.3 | Very low | 44.5 | Very low | 74.5 Ų | 74.5 | 96.5 Ų | 96.5 | 48% | 0.484 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -71.3 | 89.9 | 173.3 | 29.3 | -31.1 | 0 | 0 | 0 | 110.6 | D2084 L2089 V2090 D2091 | D2084-P2087 WeakPolarHBondContact O-CD 3.41Å; P2087-L2089 VanDerWaalsContact C-N 3.31Å; P2087-L2089 PolarHBondContact O-N 2.87Å; P2087-V2090 PolarHBondContact O-N 3.41Å; P2087-V2090 VanDerWaalsContact O-N 3.17Å; P2087-D2091 HydrophobicContact CB-CB 4.33Å; P2087-D2091 PolarHBondContact O-N 3.3Å |
| 2088 | T | 47.2 | Very low | 44.6 | Very low | 78.5 Ų | 78.5 | 93.6 Ų | 93.6 | 48% | 0.482 | 56% | 0.559 | S | S | . | * | P | Polyproline II helix | trans | -74.3 | 69.8 | -176.5 | 58.6 | 0 | 0 | 0 | 0 | 111.7 | R2086 V2090 D2091 L2092 | R2086-T2088 VanDerWaalsContact C-N 3.3Å; R2086-T2088 PolarHBondContact O-N 3.09Å; R2086-T2088 VanDerWaalsContact O-N 3.09Å; T2088-V2090 PolarHBondContact O-N 2.93Å; T2088-D2091 WeakPolarHBondContact O-CB 3.46Å; T2088-D2091 PolarHBondContact O-N 3.07Å; T2088-D2091 PolarHBondContact OG1-OD2 3.05Å; T2088-L2092 VanDerWaalsContact O-CD1 3.29Å; T2088-L2092 WeakPolarHBondContact O-CD1 3.41Å; T2088-L2092 WeakPolarHBondContact O-CG 3.19Å |
| 2089 | L | 43.9 | Very low | 44.8 | Very low | 119.75 Ų | 119.75 | 97.4 Ų | 97.4 | 63% | 0.627 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -22.4 | 179.6 | -161.1 | 72.6 | 0 | 0 | 0 | 112.9 | Y2077 P2087 D2091 L2092 | Y2077-L2089 HydrophobicContact CD1-CD2 3.71Å; Y2077-L2089 HydrophobicContact CE1-CD2 3.56Å; P2087-L2089 VanDerWaalsContact C-N 3.31Å; P2087-L2089 PolarHBondContact O-N 2.87Å; L2089-D2091 VanDerWaalsContact C-N 3.35Å; L2089-D2091 PolarHBondContact O-N 3.42Å; L2089-L2092 HydrophobicContact CD1-CD1 4.06Å; L2089-L2092 PolarHBondContact O-N 3.21Å |
| 2090 | V | 47 | Very low | 45.1 | Very low | 51.5 Ų | 51.5 | 93.2 Ų | 93.2 | 31% | 0.312 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -34.5 | 177.2 | -179.3 | 0 | 0 | 0 | 0 | 112.2 | R2074 Y2077 P2087 T2088 L2092 L2093 L2096 | R2074-V2090 HydrophobicContact CB-CG1 4.48Å; R2074-V2090 HydrophobicContact CG-CG1 4.11Å; Y2077-V2090 VanDerWaalsContact CB-CG2 3.47Å; P2087-V2090 PolarHBondContact O-N 3.41Å; P2087-V2090 VanDerWaalsContact O-N 3.17Å; T2088-V2090 PolarHBondContact O-N 2.93Å; V2090-L2092 VanDerWaalsContact C-N 3.3Å; V2090-L2092 PolarHBondContact O-N 2.95Å; V2090-L2093 WeakPolarHBondContact O-CB 3.31Å; V2090-L2093 PolarHBondContact O-N 2.82Å; V2090-L2096 HydrophobicContact CG1-CD1 4.4Å; V2090-L2096 HydrophobicContact CG1-CD2 3.93Å |
| 2091 | D | 48.1 | Very low | 45.8 | Very low | 80.5 Ų | 80.5 | 92.3 Ų | 92.3 | 43% | 0.43 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -16.5 | 176.6 | -64.1 | -35.9 | 0 | 0 | 0 | 112.9 | P2087 T2088 L2089 L2093 R2701 | P2087-D2091 HydrophobicContact CB-CB 4.33Å; P2087-D2091 PolarHBondContact O-N 3.3Å; T2088-D2091 WeakPolarHBondContact O-CB 3.46Å; T2088-D2091 PolarHBondContact O-N 3.07Å; T2088-D2091 PolarHBondContact OG1-OD2 3.05Å; L2089-D2091 VanDerWaalsContact C-N 3.35Å; L2089-D2091 PolarHBondContact O-N 3.42Å; D2091-L2093 VanDerWaalsContact C-N 3.32Å; D2091-L2093 PolarHBondContact O-N 3.16Å; D2091-R2701 PolarHBondContact O-NH1 2.82Å |
| 2092 | L | 46.4 | Very low | 46.3 | Very low | 112.75 Ų | 112.75 | 90.1 Ų | 90.1 | 59% | 0.59 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -7.6 | 174.1 | -78.4 | 168.1 | 0 | 0 | 0 | 113 | T2088 L2089 V2090 P2094 | T2088-L2092 VanDerWaalsContact O-CD1 3.29Å; T2088-L2092 WeakPolarHBondContact O-CD1 3.41Å; T2088-L2092 WeakPolarHBondContact O-CG 3.19Å; L2089-L2092 HydrophobicContact CD1-CD1 4.06Å; L2089-L2092 PolarHBondContact O-N 3.21Å; V2090-L2092 VanDerWaalsContact C-N 3.3Å; V2090-L2092 PolarHBondContact O-N 2.95Å; L2092-P2094 VanDerWaalsContact O-CD 3.26Å; L2092-P2094 WeakPolarHBondContact O-CD 3.34Å |
| 2093 | L | 47.2 | Very low | 47.1 | Very low | 68 Ų | 68 | 86.8 Ų | 86.8 | 36% | 0.356 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -87.6 | 106.5 | 173.1 | -76.7 | 157.6 | 0 | 0 | 0 | 108.9 | R2074 Y2077 V2090 D2091 S2095 L2096 A2097 D2690 | R2074-L2093 PolarHBondContact NH2-O 2.86Å; Y2077-L2093 HydrophobicContact CD2-CD1 3.69Å; Y2077-L2093 HydrophobicContact CE2-CD1 3.8Å; V2090-L2093 WeakPolarHBondContact O-CB 3.31Å; V2090-L2093 PolarHBondContact O-N 2.82Å; D2091-L2093 VanDerWaalsContact C-N 3.32Å; D2091-L2093 PolarHBondContact O-N 3.16Å; L2093-S2095 VanDerWaalsContact C-N 3.34Å; L2093-S2095 PolarHBondContact O-N 3.07Å; L2093-L2096 HydrophobicContact CB-CB 4.12Å; L2093-L2096 PolarHBondContact O-N 3.29Å; L2093-A2097 PolarHBondContact O-N 3.41Å; L2093-D2690 HydrophobicContact CD2-CB 4.5Å |
| 2094 | P | 44.8 | Very low | 47.7 | Very low | 51.75 Ų | 51.75 | 88.8 Ų | 88.8 | 34% | 0.336 | 49% | 0.487 | S | S | . | . | trans | -56.3 | 139.3 | 175.4 | 2 | -1.4 | 0 | 0 | 0 | 110 | L2092 L2096 A2098 R2099 D2690 V2693 L2694 H2697 | L2092-P2094 VanDerWaalsContact O-CD 3.26Å; L2092-P2094 WeakPolarHBondContact O-CD 3.34Å; P2094-L2096 VanDerWaalsContact C-N 3.33Å; P2094-L2096 PolarHBondContact O-N 3.2Å; P2094-A2098 HydrophobicContact CB-CB 3.83Å; P2094-A2098 VanDerWaalsContact CB-CB 3.49Å; P2094-A2098 WeakPolarHBondContact O-CB 3.29Å; P2094-A2098 PolarHBondContact O-N 2.67Å; P2094-R2099 HydrophobicContact CB-CG 4.31Å; P2094-R2099 HydrophobicContact CG-CB 4.48Å; P2094-R2099 HydrophobicContact CG-CG 4.17Å; P2094-D2690 WeakPolarHBondContact CD-OD1 3.28Å; P2094-V2693 HydrophobicContact CB-CB 4.05Å; P2094-V2693 HydrophobicContact CB-CG1 3.61Å; P2094-V2693 HydrophobicContact CG-CB 4.24Å; P2094-V2693 HydrophobicContact CG-CG1 4.09Å; P2094-L2694 HydrophobicContact CG-CB 4.3Å; P2094-L2694 HydrophobicContact CG-CD1 4.23Å; P2094-H2697 HydrophobicContact CG-CB 4.19Å | ||
| 2095 | S | 50.7 | Low | 48.3 | Very low | 46.25 Ų | 46.25 | 87 Ų | 87 | 32% | 0.323 | 48% | 0.478 | S | S | . | . | trans | -53.9 | 151.5 | 172.3 | 57.9 | 0 | 0 | 0 | 0 | 110.1 | L2093 A2097 A2098 R2099 D2690 | L2093-S2095 VanDerWaalsContact C-N 3.34Å; L2093-S2095 PolarHBondContact O-N 3.07Å; S2095-A2097 PolarHBondContact O-N 3.12Å; S2095-A2097 VanDerWaalsContact O-N 3.09Å; S2095-A2098 WeakPolarHBondContact O-CA 3.4Å; S2095-A2098 WeakPolarHBondContact O-CB 3.17Å; S2095-A2098 PolarHBondContact O-N 2.91Å; S2095-A2098 PolarHBondContact OG-N 3.44Å; S2095-R2099 WeakPolarHBondContact O-CB 3.15Å; S2095-R2099 WeakPolarHBondContact O-CG 3.32Å; S2095-R2099 PolarHBondContact O-N 2.98Å; S2095-D2690 WeakPolarHBondContact CA-OD1 3.48Å; S2095-D2690 WeakPolarHBondContact CB-OD1 3.44Å; S2095-D2690 PolarHBondContact N-OD1 2.96Å; S2095-D2690 VanDerWaalsContact OG-CG 3.23Å; S2095-D2690 PolarHBondContact OG-OD1 3.47Å; S2095-D2690 PolarHBondContact OG-OD2 2.99Å | ||
| 2096 | L | 48.3 | Very low | 49 | Very low | 78.25 Ų | 78.25 | 86.1 Ų | 86.1 | 41% | 0.41 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62 | -29.3 | -179.6 | -149 | 134.7 | 0 | 0 | 0 | 112 | P2067 E2070 V2090 L2093 P2094 A2098 R2099 Q2100 | P2067-L2096 HydrophobicContact CG-CD1 4.32Å; E2070-L2096 WeakPolarHBondContact OE1-CB 3.46Å; E2070-L2096 WeakPolarHBondContact OE1-CD2 3.28Å; E2070-L2096 WeakPolarHBondContact OE1-CG 3.39Å; E2070-L2096 WeakPolarHBondContact OE2-CB 3.38Å; V2090-L2096 HydrophobicContact CG1-CD1 4.4Å; V2090-L2096 HydrophobicContact CG1-CD2 3.93Å; L2093-L2096 HydrophobicContact CB-CB 4.12Å; L2093-L2096 PolarHBondContact O-N 3.29Å; P2094-L2096 VanDerWaalsContact C-N 3.33Å; P2094-L2096 PolarHBondContact O-N 3.2Å; L2096-A2098 VanDerWaalsContact C-N 3.34Å; L2096-A2098 PolarHBondContact O-N 3.22Å; L2096-R2099 HydrophobicContact CG-CB 4.43Å; L2096-R2099 CarbonylContact O-C 3.59Å; L2096-R2099 WeakPolarHBondContact O-CA 3.43Å; L2096-R2099 WeakPolarHBondContact O-CB 3.28Å; L2096-R2099 PolarHBondContact O-N 3.28Å; L2096-R2099 VanDerWaalsContact O-N 3.08Å; L2096-Q2100 VanDerWaalsContact CD2-CD 3.48Å; L2096-Q2100 HydrophobicContact CD2-CG 4.13Å; L2096-Q2100 HydrophobicContact CG-CG 4.4Å; L2096-Q2100 WeakPolarHBondContact O-CA 3.4Å; L2096-Q2100 VanDerWaalsContact O-CB 3.26Å; L2096-Q2100 WeakPolarHBondContact O-CB 3.3Å; L2096-Q2100 VanDerWaalsContact O-CG 3.31Å; L2096-Q2100 WeakPolarHBondContact O-CG 3.39Å; L2096-Q2100 PolarHBondContact O-N 3.15Å; L2096-Q2100 PolarHBondContact O-OE1 3.49Å |
| 2097 | A | 48.2 | Very low | 49.3 | Very low | 40 Ų | 40 | 80 Ų | 80 | 33% | 0.331 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -59.1 | -47.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | P1979 L2093 S2095 R2099 Q2100 Q2101 | P1979-A2097 HydrophobicContact CG-CB 3.78Å; L2093-A2097 PolarHBondContact O-N 3.41Å; S2095-A2097 PolarHBondContact O-N 3.12Å; S2095-A2097 VanDerWaalsContact O-N 3.09Å; A2097-R2099 PolarHBondContact O-N 2.8Å; A2097-Q2100 CarbonylContact O-C 3.47Å; A2097-Q2100 WeakPolarHBondContact O-CB 3.34Å; A2097-Q2100 PolarHBondContact O-N 3.18Å; A2097-Q2100 VanDerWaalsContact O-N 3.12Å; A2097-Q2101 WeakPolarHBondContact O-CB 3.34Å; A2097-Q2101 PolarHBondContact O-N 3.36Å |
| 2098 | A | 51.1 | Low | 49.8 | Very low | 31.75 Ų | 31.75 | 79.8 Ų | 79.8 | 26% | 0.262 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.7 | -33.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P2094 S2095 L2096 Q2101 A2102 F2869 | P2094-A2098 HydrophobicContact CB-CB 3.83Å; P2094-A2098 VanDerWaalsContact CB-CB 3.49Å; P2094-A2098 WeakPolarHBondContact O-CB 3.29Å; P2094-A2098 PolarHBondContact O-N 2.67Å; S2095-A2098 WeakPolarHBondContact O-CA 3.4Å; S2095-A2098 WeakPolarHBondContact O-CB 3.17Å; S2095-A2098 PolarHBondContact O-N 2.91Å; S2095-A2098 PolarHBondContact OG-N 3.44Å; L2096-A2098 VanDerWaalsContact C-N 3.34Å; L2096-A2098 PolarHBondContact O-N 3.22Å; A2098-Q2101 PolarHBondContact O-N 3.14Å; A2098-A2102 VanDerWaalsContact O-CB 3.31Å; A2098-A2102 WeakPolarHBondContact O-CB 3.26Å; A2098-A2102 PolarHBondContact O-N 3.24Å; A2098-F2869 HydrophobicContact CB-CB 4.31Å |
| 2099 | R | 50.8 | Low | 49.8 | Very low | 136.25 Ų | 136.25 | 84.2 Ų | 84.2 | 51% | 0.514 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -69.5 | -37.4 | 171.8 | -98.7 | -179.5 | -176.3 | 179.2 | 2.4 | 111.9 | P2094 S2095 L2096 A2097 A2102 I2103 D2684 | P2094-R2099 HydrophobicContact CB-CG 4.31Å; P2094-R2099 HydrophobicContact CG-CB 4.48Å; P2094-R2099 HydrophobicContact CG-CG 4.17Å; S2095-R2099 WeakPolarHBondContact O-CB 3.15Å; S2095-R2099 WeakPolarHBondContact O-CG 3.32Å; S2095-R2099 PolarHBondContact O-N 2.98Å; L2096-R2099 HydrophobicContact CG-CB 4.43Å; L2096-R2099 CarbonylContact O-C 3.59Å; L2096-R2099 WeakPolarHBondContact O-CA 3.43Å; L2096-R2099 WeakPolarHBondContact O-CB 3.28Å; L2096-R2099 PolarHBondContact O-N 3.28Å; L2096-R2099 VanDerWaalsContact O-N 3.08Å; A2097-R2099 PolarHBondContact O-N 2.8Å; R2099-A2102 PolarHBondContact O-N 3.06Å; R2099-I2103 HydrophobicContact CB-CD1 4.49Å; R2099-I2103 HydrophobicContact CG-CD1 4.24Å; R2099-I2103 VanDerWaalsContact O-CB 3.27Å; R2099-I2103 WeakPolarHBondContact O-CB 3.31Å; R2099-I2103 WeakPolarHBondContact O-CD1 3.41Å; R2099-I2103 WeakPolarHBondContact O-CG1 3.29Å; R2099-I2103 PolarHBondContact O-N 3.05Å; R2099-D2684 IonicContact CZ-OD2 2.83Å; R2099-D2684 IonicContact NH2-OD2 2.93Å; R2099-D2684 PolarHBondContact NH2-OD2 2.89Å |
| 2100 | Q | 54.4 | Low | 49.8 | Very low | 73.5 Ų | 73.5 | 87.9 Ų | 87.9 | 34% | 0.343 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.6 | -43.6 | 176.1 | -97.2 | 172 | -43.4 | 0 | 0 | 110.7 | P1979 L2096 A2097 A2102 I2103 Q2104 | P1979-Q2100 HydrophobicContact CG-CB 3.98Å; L2096-Q2100 VanDerWaalsContact CD2-CD 3.48Å; L2096-Q2100 HydrophobicContact CD2-CG 4.13Å; L2096-Q2100 HydrophobicContact CG-CG 4.4Å; L2096-Q2100 WeakPolarHBondContact O-CA 3.4Å; L2096-Q2100 VanDerWaalsContact O-CB 3.26Å; L2096-Q2100 WeakPolarHBondContact O-CB 3.3Å; L2096-Q2100 VanDerWaalsContact O-CG 3.31Å; L2096-Q2100 WeakPolarHBondContact O-CG 3.39Å; L2096-Q2100 PolarHBondContact O-N 3.15Å; L2096-Q2100 PolarHBondContact O-OE1 3.49Å; A2097-Q2100 CarbonylContact O-C 3.47Å; A2097-Q2100 WeakPolarHBondContact O-CB 3.34Å; A2097-Q2100 PolarHBondContact O-N 3.18Å; A2097-Q2100 VanDerWaalsContact O-N 3.12Å; Q2100-A2102 VanDerWaalsContact C-N 3.33Å; Q2100-A2102 PolarHBondContact O-N 2.94Å; Q2100-I2103 CarbonylContact O-C 3.32Å; Q2100-I2103 WeakPolarHBondContact O-CA 3.26Å; Q2100-I2103 PolarHBondContact O-N 2.98Å; Q2100-Q2104 WeakPolarHBondContact O-CB 3.34Å; Q2100-Q2104 PolarHBondContact O-N 3.24Å |
| 2101 | Q | 54.9 | Low | 49.4 | Very low | 109.75 Ų | 109.75 | 90.6 Ų | 90.6 | 51% | 0.513 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.3 | -46.8 | 171.9 | -100.9 | 175.4 | -18.9 | 0 | 0 | 112 | D1980 A2097 A2098 I2103 Q2104 D2105 | D1980-Q2101 PolarHBondContact OD1-NE2 3.41Å; A2097-Q2101 WeakPolarHBondContact O-CB 3.34Å; A2097-Q2101 PolarHBondContact O-N 3.36Å; A2098-Q2101 PolarHBondContact O-N 3.14Å; Q2101-I2103 VanDerWaalsContact C-N 3.33Å; Q2101-I2103 PolarHBondContact O-N 3.28Å; Q2101-Q2104 PolarHBondContact O-N 3.15Å; Q2101-Q2104 VanDerWaalsContact O-N 3.13Å; Q2101-D2105 WeakPolarHBondContact O-CB 3.37Å; Q2101-D2105 PolarHBondContact O-N 3.08Å |
| 2102 | A | 51.7 | Low | 48.9 | Very low | 56.5 Ų | 56.5 | 91.2 Ų | 91.2 | 47% | 0.467 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.1 | -33.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A2098 R2099 Q2100 Q2104 S2106 | A2098-A2102 VanDerWaalsContact O-CB 3.31Å; A2098-A2102 WeakPolarHBondContact O-CB 3.26Å; A2098-A2102 PolarHBondContact O-N 3.24Å; R2099-A2102 PolarHBondContact O-N 3.06Å; Q2100-A2102 VanDerWaalsContact C-N 3.33Å; Q2100-A2102 PolarHBondContact O-N 2.94Å; A2102-Q2104 VanDerWaalsContact C-N 3.34Å; A2102-S2106 VanDerWaalsContact O-CB 3.3Å; A2102-S2106 WeakPolarHBondContact O-CB 3.28Å; A2102-S2106 PolarHBondContact O-N 3.03Å; A2102-S2106 VanDerWaalsContact O-N 3.13Å; A2102-S2106 PolarHBondContact O-OG 3.04Å |
| 2103 | I | 54.1 | Low | 48.5 | Very low | 90.25 Ų | 90.25 | 92.7 Ų | 92.7 | 46% | 0.463 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.2 | -39.1 | 174.2 | -71.9 | 165.3 | 0 | 0 | 0 | 110.3 | R2099 Q2100 Q2101 S2106 L2107 | R2099-I2103 HydrophobicContact CB-CD1 4.49Å; R2099-I2103 HydrophobicContact CG-CD1 4.24Å; R2099-I2103 VanDerWaalsContact O-CB 3.27Å; R2099-I2103 WeakPolarHBondContact O-CB 3.31Å; R2099-I2103 WeakPolarHBondContact O-CD1 3.41Å; R2099-I2103 WeakPolarHBondContact O-CG1 3.29Å; R2099-I2103 PolarHBondContact O-N 3.05Å; Q2100-I2103 CarbonylContact O-C 3.32Å; Q2100-I2103 WeakPolarHBondContact O-CA 3.26Å; Q2100-I2103 PolarHBondContact O-N 2.98Å; Q2101-I2103 VanDerWaalsContact C-N 3.33Å; Q2101-I2103 PolarHBondContact O-N 3.28Å; I2103-S2106 WeakPolarHBondContact CA-OG 3.39Å; I2103-S2106 CarbonylContact O-C 3.55Å; I2103-S2106 PolarHBondContact O-N 3.1Å; I2103-S2106 VanDerWaalsContact O-N 3.11Å; I2103-S2106 PolarHBondContact O-OG 2.94Å; I2103-L2107 HydrophobicContact CG2-CD1 3.75Å; I2103-L2107 HydrophobicContact CG2-CG 4.24Å; I2103-L2107 WeakPolarHBondContact O-CA 3.42Å; I2103-L2107 WeakPolarHBondContact O-CB 3.24Å; I2103-L2107 WeakPolarHBondContact O-CG 3.34Å; I2103-L2107 PolarHBondContact O-N 3.14Å |
| 2104 | Q | 54.2 | Low | 47.9 | Very low | 113.25 Ų | 113.25 | 98.2 Ų | 98.2 | 53% | 0.529 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.2 | -41.8 | 177.5 | -148.8 | 123.6 | -38.4 | 0 | 0 | 111.3 | S1978 Q2100 Q2101 A2102 S2106 L2107 S2108 | S1978-Q2104 PolarHBondContact OG-NE2 2.88Å; Q2100-Q2104 WeakPolarHBondContact O-CB 3.34Å; Q2100-Q2104 PolarHBondContact O-N 3.24Å; Q2101-Q2104 PolarHBondContact O-N 3.15Å; Q2101-Q2104 VanDerWaalsContact O-N 3.13Å; A2102-Q2104 VanDerWaalsContact C-N 3.34Å; Q2104-S2106 VanDerWaalsContact C-N 3.3Å; Q2104-S2106 PolarHBondContact O-N 3.01Å; Q2104-L2107 WeakPolarHBondContact O-CB 3.4Å; Q2104-L2107 PolarHBondContact O-N 3.24Å; Q2104-S2108 VanDerWaalsContact O-CB 3.29Å; Q2104-S2108 WeakPolarHBondContact O-CB 3.08Å; Q2104-S2108 PolarHBondContact O-N 3.22Å; Q2104-S2108 VanDerWaalsContact O-N 3.1Å; Q2104-S2108 PolarHBondContact O-OG 3.13Å; Q2104-S2108 VanDerWaalsContact O-OG 3.04Å |
| 2105 | D | 52.1 | Low | 47.3 | Very low | 105.5 Ų | 105.5 | 103.7 Ų | 103.7 | 56% | 0.564 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.7 | -31.4 | 172.5 | -82.5 | -12.2 | 0 | 0 | 0 | 112.5 | Q2101 L2107 S2108 K2109 | Q2101-D2105 WeakPolarHBondContact O-CB 3.37Å; Q2101-D2105 PolarHBondContact O-N 3.08Å; D2105-L2107 VanDerWaalsContact C-N 3.35Å; D2105-S2108 WeakPolarHBondContact CA-OG 3.27Å; D2105-S2108 PolarHBondContact O-OG 3.16Å; D2105-S2108 VanDerWaalsContact O-OG 3.09Å; D2105-K2109 WeakPolarHBondContact O-CB 3.43Å; D2105-K2109 WeakPolarHBondContact O-CD 3.12Å; D2105-K2109 WeakPolarHBondContact O-CG 3.21Å; D2105-K2109 PolarHBondContact O-N 2.99Å; D2105-K2109 VanDerWaalsContact O-N 3.1Å |
| 2106 | S | 54.3 | Low | 46.3 | Very low | 64 Ų | 64 | 104.3 Ų | 104.3 | 45% | 0.448 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -79.1 | -29 | 174.1 | 75.8 | 0 | 0 | 0 | 0 | 113 | A2102 I2103 Q2104 K2109 R2110 | A2102-S2106 VanDerWaalsContact O-CB 3.3Å; A2102-S2106 WeakPolarHBondContact O-CB 3.28Å; A2102-S2106 PolarHBondContact O-N 3.03Å; A2102-S2106 VanDerWaalsContact O-N 3.13Å; A2102-S2106 PolarHBondContact O-OG 3.04Å; I2103-S2106 WeakPolarHBondContact CA-OG 3.39Å; I2103-S2106 CarbonylContact O-C 3.55Å; I2103-S2106 PolarHBondContact O-N 3.1Å; I2103-S2106 VanDerWaalsContact O-N 3.11Å; I2103-S2106 PolarHBondContact O-OG 2.94Å; Q2104-S2106 VanDerWaalsContact C-N 3.3Å; Q2104-S2106 PolarHBondContact O-N 3.01Å; S2106-K2109 PolarHBondContact O-N 3.32Å; S2106-R2110 VanDerWaalsContact O-CB 3.26Å; S2106-R2110 WeakPolarHBondContact O-CB 3.44Å; S2106-R2110 PolarHBondContact O-N 2.99Å; S2106-R2110 VanDerWaalsContact O-N 3.13Å |
| 2107 | L | 47.2 | Very low | 45.7 | Very low | 98.25 Ų | 98.25 | 111.6 Ų | 111.6 | 51% | 0.514 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -75.5 | -41.1 | 175.7 | -81.9 | 165.1 | 0 | 0 | 0 | 111.4 | I2103 Q2104 D2105 K2109 R2110 T2111 | I2103-L2107 HydrophobicContact CG2-CD1 3.75Å; I2103-L2107 HydrophobicContact CG2-CG 4.24Å; I2103-L2107 WeakPolarHBondContact O-CA 3.42Å; I2103-L2107 WeakPolarHBondContact O-CB 3.24Å; I2103-L2107 WeakPolarHBondContact O-CG 3.34Å; I2103-L2107 PolarHBondContact O-N 3.14Å; Q2104-L2107 WeakPolarHBondContact O-CB 3.4Å; Q2104-L2107 PolarHBondContact O-N 3.24Å; D2105-L2107 VanDerWaalsContact C-N 3.35Å; L2107-K2109 VanDerWaalsContact C-N 3.25Å; L2107-K2109 PolarHBondContact O-N 2.9Å; L2107-R2110 CarbonylContact O-C 3.57Å; L2107-R2110 WeakPolarHBondContact O-CA 3.46Å; L2107-R2110 WeakPolarHBondContact O-CB 3.41Å; L2107-R2110 PolarHBondContact O-N 2.94Å; L2107-R2110 VanDerWaalsContact O-N 3.16Å; L2107-T2111 WeakPolarHBondContact O-CB 3.17Å; L2107-T2111 WeakPolarHBondContact O-CG2 3.38Å; L2107-T2111 PolarHBondContact O-N 3.09Å; L2107-T2111 PolarHBondContact O-OG1 3Å |
| 2108 | S | 49.5 | Very low | 44.8 | Very low | 70 Ų | 70 | 119.5 Ų | 119.5 | 49% | 0.49 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -63.5 | -31.4 | 174.1 | 65.5 | 0 | 0 | 0 | 0 | 112.1 | Q2104 D2105 R2110 T2111 S2112 | Q2104-S2108 VanDerWaalsContact O-CB 3.29Å; Q2104-S2108 WeakPolarHBondContact O-CB 3.08Å; Q2104-S2108 PolarHBondContact O-N 3.22Å; Q2104-S2108 VanDerWaalsContact O-N 3.1Å; Q2104-S2108 PolarHBondContact O-OG 3.13Å; Q2104-S2108 VanDerWaalsContact O-OG 3.04Å; D2105-S2108 WeakPolarHBondContact CA-OG 3.27Å; D2105-S2108 PolarHBondContact O-OG 3.16Å; D2105-S2108 VanDerWaalsContact O-OG 3.09Å; S2108-R2110 PolarHBondContact O-N 2.85Å; S2108-T2111 WeakPolarHBondContact CA-OG1 3.2Å; S2108-T2111 PolarHBondContact O-N 2.72Å; S2108-T2111 PolarHBondContact O-OG1 3.38Å; S2108-S2112 PolarHBondContact O-N 3.14Å |
| 2109 | K | 46.6 | Very low | 43.8 | Very low | 170.25 Ų | 170.25 | 124.4 Ų | 124.4 | 74% | 0.74 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -78.2 | -17.3 | 172.6 | -105.9 | 174.6 | -179 | 169.6 | 0 | 114.5 | D2105 S2106 L2107 S2112 I2113 | D2105-K2109 WeakPolarHBondContact O-CB 3.43Å; D2105-K2109 WeakPolarHBondContact O-CD 3.12Å; D2105-K2109 WeakPolarHBondContact O-CG 3.21Å; D2105-K2109 PolarHBondContact O-N 2.99Å; D2105-K2109 VanDerWaalsContact O-N 3.1Å; S2106-K2109 PolarHBondContact O-N 3.32Å; L2107-K2109 VanDerWaalsContact C-N 3.25Å; L2107-K2109 PolarHBondContact O-N 2.9Å; K2109-S2112 PolarHBondContact O-OG 2.9Å; K2109-I2113 WeakPolarHBondContact O-CD1 3.41Å; K2109-I2113 WeakPolarHBondContact O-CG1 3.35Å |
| 2110 | R | 44.3 | Very low | 42.8 | Very low | 197.25 Ų | 197.25 | 125.1 Ų | 125.1 | 74% | 0.744 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -98.2 | -15.6 | -177.6 | -162.9 | 172.2 | -125.5 | -168.1 | 0.5 | 114 | S2106 L2107 S2108 S2112 I2113 | S2106-R2110 VanDerWaalsContact O-CB 3.26Å; S2106-R2110 WeakPolarHBondContact O-CB 3.44Å; S2106-R2110 PolarHBondContact O-N 2.99Å; S2106-R2110 VanDerWaalsContact O-N 3.13Å; L2107-R2110 CarbonylContact O-C 3.57Å; L2107-R2110 WeakPolarHBondContact O-CA 3.46Å; L2107-R2110 WeakPolarHBondContact O-CB 3.41Å; L2107-R2110 PolarHBondContact O-N 2.94Å; L2107-R2110 VanDerWaalsContact O-N 3.16Å; S2108-R2110 PolarHBondContact O-N 2.85Å; R2110-S2112 PolarHBondContact O-N 2.79Å; R2110-S2112 VanDerWaalsContact O-N 3.09Å; R2110-I2113 CarbonylContact O-C 3.58Å; R2110-I2113 PolarHBondContact O-N 3.31Å |
| 2111 | T | 39.6 | Very low | 41.7 | Very low | 108.25 Ų | 108.25 | 128.5 Ų | 128.5 | 66% | 0.664 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -7.8 | 174.3 | 33.8 | 0 | 0 | 0 | 0 | 114 | L2107 S2108 I2113 K2114 | L2107-T2111 WeakPolarHBondContact O-CB 3.17Å; L2107-T2111 WeakPolarHBondContact O-CG2 3.38Å; L2107-T2111 PolarHBondContact O-N 3.09Å; L2107-T2111 PolarHBondContact O-OG1 3Å; S2108-T2111 WeakPolarHBondContact CA-OG1 3.2Å; S2108-T2111 PolarHBondContact O-N 2.72Å; S2108-T2111 PolarHBondContact O-OG1 3.38Å; T2111-I2113 PolarHBondContact O-N 3.38Å; T2111-K2114 PolarHBondContact O-N 2.87Å |
| 2112 | S | 36.4 | Very low | 40.4 | Very low | 93.5 Ų | 93.5 | 128.1 Ų | 128.1 | 65% | 0.654 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 11.5 | 169.5 | 123.8 | 0 | 0 | 0 | 0 | 113.1 | S2108 K2109 R2110 | S2108-S2112 PolarHBondContact O-N 3.14Å; K2109-S2112 PolarHBondContact O-OG 2.9Å; R2110-S2112 PolarHBondContact O-N 2.79Å; R2110-S2112 VanDerWaalsContact O-N 3.09Å |
| 2113 | I | 38.6 | Very low | 39.4 | Very low | 144.5 Ų | 144.5 | 132.8 Ų | 132.8 | 74% | 0.741 | 68% | 0.68 | S | S | * | * | trans | -142 | 72 | 171.1 | -60.9 | 171.1 | 0 | 0 | 0 | 110.6 | K2109 R2110 T2111 | K2109-I2113 WeakPolarHBondContact O-CD1 3.41Å; K2109-I2113 WeakPolarHBondContact O-CG1 3.35Å; R2110-I2113 CarbonylContact O-C 3.58Å; R2110-I2113 PolarHBondContact O-N 3.31Å; T2111-I2113 PolarHBondContact O-N 3.38Å | ||
| 2114 | K | 34.2 | Very low | 38.3 | Very low | 183.5 Ų | 183.5 | 136 Ų | 136 | 80% | 0.798 | 69% | 0.692 | S | S | * | * | trans | -135.7 | 66.9 | 169.1 | -122.8 | 177.5 | -177.5 | -172.4 | 0 | 114.2 | T2111 | T2111-K2114 PolarHBondContact O-N 2.87Š| ||
| 2115 | D | 31.9 | Very low | 37.1 | Very low | 166.5 Ų | 166.5 | 140.9 Ų | 140.9 | 89% | 0.89 | 71% | 0.708 | S | S | * | * | trans | -97.3 | 114.4 | 152.6 | -79.1 | -38.4 | 0 | 0 | 0 | 112.4 | ||||
| 2116 | G | 30.8 | Very low | 36 | Very low | 58.25 Ų | 58.25 | 146.5 Ų | 146.5 | 60% | 0.601 | 72% | 0.721 | S | S | * | * | trans | 124.3 | 105 | 157.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 2117 | Y | 34.1 | Very low | 34.8 | Very low | 233.5 Ų | 233.5 | 150.8 Ų | 150.8 | 92% | 0.916 | 74% | 0.738 | S | S | * | * | trans | 128.2 | 124.7 | 138.8 | -95 | -93.8 | 0 | 0 | 0 | 114.9 | ||||
| 2118 | R | 29.1 | Very low | 34.1 | Very low | 205.25 Ų | 205.25 | 152.3 Ų | 152.3 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | trans | -124 | 131.9 | 177.1 | 165.7 | -178.7 | 163.6 | 179.7 | -3.8 | 107.4 | E2120 | R2118-E2120 IonicContact CZ-OE2 3.98Å; R2118-E2120 IonicContact NE-OE2 3.19Å; R2118-E2120 PolarHBondContact NE-OE2 3.36Å; R2118-E2120 IonicContact NH2-OE2 3.37Å; R2118-E2120 PolarHBondContact NH2-OE2 2.89Å | ||
| 2119 | N | 30.4 | Very low | 33.1 | Very low | 134.75 Ų | 134.75 | 158.1 Ų | 158.1 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | trans | 172.3 | 143.8 | 154.4 | -80.7 | -4.5 | 0 | 0 | 0 | 114.6 | ||||
| 2120 | E | 30.5 | Very low | 32.2 | Very low | 151 Ų | 151 | 160.9 Ų | 160.9 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | 103.6 | 135.9 | 146.7 | -80.9 | 165.9 | 151.2 | 0 | 0 | 113.5 | R2118 | R2118-E2120 IonicContact CZ-OE2 3.98Å; R2118-E2120 IonicContact NE-OE2 3.19Å; R2118-E2120 PolarHBondContact NE-OE2 3.36Å; R2118-E2120 IonicContact NH2-OE2 3.37Å; R2118-E2120 PolarHBondContact NH2-OE2 2.89Å | ||
| 2121 | N | 30.5 | Very low | 31.4 | Very low | 145.25 Ų | 145.25 | 158.1 Ų | 158.1 | 78% | 0.777 | 77% | 0.773 | S | S | * | * | 123 | 118.9 | 118.2 | -80.8 | -12 | 0 | 0 | 0 | 113.6 | |||||
| 2122 | S | 28.8 | Very low | 31 | Very low | 100.75 Ų | 100.75 | 159.5 Ų | 159.5 | 71% | 0.705 | 78% | 0.776 | S | S | * | * | trans | -59.8 | 148.8 | 147.1 | 43 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 2123 | D | 30.6 | Very low | 30.6 | Very low | 155.75 Ų | 155.75 | 162.2 Ų | 162.2 | 83% | 0.833 | 78% | 0.782 | S | S | * | * | trans | -174.7 | 141.5 | 138.2 | -73.1 | -32.1 | 0 | 0 | 0 | 115.3 | ||||
| 2124 | E | 30.7 | Very low | 30.2 | Very low | 157.25 Ų | 157.25 | 161.3 Ų | 161.3 | 74% | 0.735 | 79% | 0.786 | S | S | * | * | trans | 92.7 | 99.3 | 158.8 | -154 | 172.5 | -175.4 | 0 | 0 | 116.7 | R2126 | E2124-R2126 HydrophobicContact CG-CG 4.34Å; E2124-R2126 IonicContact OE1-CZ 2.68Å; E2124-R2126 VanDerWaalsContact OE1-CZ 3.31Å; E2124-R2126 IonicContact OE1-NE 2.83Å; E2124-R2126 PolarHBondContact OE1-NE 2.98Å; E2124-R2126 IonicContact OE1-NH2 2.69Å; E2124-R2126 PolarHBondContact OE1-NH2 3.39Å | ||
| 2125 | Y | 28.8 | Very low | 29.9 | Very low | 216.25 Ų | 216.25 | 161.6 Ų | 161.6 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | trans | -147.8 | 121.7 | 141 | -97.1 | -90.7 | 0 | 0 | 0 | 113 | L2127 | Y2125-L2127 HydrophobicContact CD1-CB 3.73Å; Y2125-L2127 HydrophobicContact CD1-CD2 4.48Å; Y2125-L2127 HydrophobicContact CD1-CG 4.48Å; Y2125-L2127 HydrophobicContact CE1-CB 4.21Å; Y2125-L2127 HydrophobicContact CE1-CD2 4.13Å; Y2125-L2127 HydrophobicContact CE1-CG 4.48Å | ||
| 2126 | R | 28.8 | Very low | 29.8 | Very low | 222.25 Ų | 222.25 | 158.2 Ų | 158.2 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | trans | -103.3 | 104.2 | 157.6 | -82.5 | -178.9 | 176.4 | 159.5 | 0.4 | 113.1 | E2124 | E2124-R2126 HydrophobicContact CG-CG 4.34Å; E2124-R2126 IonicContact OE1-CZ 2.68Å; E2124-R2126 VanDerWaalsContact OE1-CZ 3.31Å; E2124-R2126 IonicContact OE1-NE 2.83Å; E2124-R2126 PolarHBondContact OE1-NE 2.98Å; E2124-R2126 IonicContact OE1-NH2 2.69Å; E2124-R2126 PolarHBondContact OE1-NH2 3.39Å | ||
| 2127 | L | 28.5 | Very low | 29.7 | Very low | 153.5 Ų | 153.5 | 161.3 Ų | 161.3 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -171.3 | 118.2 | 141.2 | -148.4 | 89.7 | 0 | 0 | 0 | 114.7 | Y2125 | Y2125-L2127 HydrophobicContact CD1-CB 3.73Å; Y2125-L2127 HydrophobicContact CD1-CD2 4.48Å; Y2125-L2127 HydrophobicContact CD1-CG 4.48Å; Y2125-L2127 HydrophobicContact CE1-CB 4.21Å; Y2125-L2127 HydrophobicContact CE1-CD2 4.13Å; Y2125-L2127 HydrophobicContact CE1-CG 4.48Å | ||
| 2128 | T | 32.5 | Very low | 29.3 | Very low | 130.5 Ų | 130.5 | 156.7 Ų | 156.7 | 80% | 0.801 | 78% | 0.778 | S | S | * | * | trans | -138.5 | 120.8 | 134 | 27.5 | 0 | 0 | 0 | 0 | 110.6 | R2130 | T2128-R2130 PolarHBondContact O-N 2.75Š| ||
| 2129 | K | 28.5 | Very low | 29.3 | Very low | 192.5 Ų | 192.5 | 155.1 Ų | 155.1 | 84% | 0.837 | 78% | 0.779 | S | S | * | * | trans | -97.8 | 110.4 | 147 | -172.4 | 177.4 | -177.9 | 177.1 | 0 | 109.5 | N2131 | K2129-N2131 VanDerWaalsContact C-N 3.28Å; K2129-N2131 PolarHBondContact O-N 3.36Å | ||
| 2130 | R | 28.1 | Very low | 29.1 | Very low | 229.5 Ų | 229.5 | 153.9 Ų | 153.9 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | trans | -118 | 125.3 | 172.8 | -135.4 | 177.2 | -174.2 | 133 | -0.6 | 109.5 | T2128 I2132 | T2128-R2130 PolarHBondContact O-N 2.75Å; R2130-I2132 HydrophobicContact CG-CD1 4.21Å; R2130-I2132 HydrophobicContact CG-CG1 3.84Å | ||
| 2131 | N | 27 | Very low | 29 | Very low | 136.75 Ų | 136.75 | 151.9 Ų | 151.9 | 73% | 0.731 | 79% | 0.785 | S | S | * | * | trans | -111.2 | 137.1 | 179.6 | -114.2 | 4.7 | 0 | 0 | 0 | 108.7 | K2129 | K2129-N2131 VanDerWaalsContact C-N 3.28Å; K2129-N2131 PolarHBondContact O-N 3.36Å | ||
| 2132 | I | 31.7 | Very low | 28.7 | Very low | 139.25 Ų | 139.25 | 150.4 Ų | 150.4 | 71% | 0.714 | 79% | 0.785 | S | S | * | * | trans | -135.3 | 113.2 | 162.2 | -65.5 | 175.8 | 0 | 0 | 0 | 111 | R2130 | R2130-I2132 HydrophobicContact CG-CD1 4.21Å; R2130-I2132 HydrophobicContact CG-CG1 3.84Å | ||
| 2133 | N | 28.4 | Very low | 28.6 | Very low | 148.75 Ų | 148.75 | 150.5 Ų | 150.5 | 80% | 0.795 | 79% | 0.786 | S | S | * | * | trans | -13.4 | 136.4 | 152.7 | -65.8 | -6.2 | 0 | 0 | 0 | 116.8 | ||||
| 2134 | P | 30.2 | Very low | 28.4 | Very low | 126.25 Ų | 126.25 | 147.8 Ų | 147.8 | 82% | 0.82 | 78% | 0.78 | S | S | * | * | trans | -97.8 | 148.1 | 163.5 | 36.1 | -27.4 | 0 | 0 | 0 | 111.8 | ||||
| 2135 | E | 28.8 | Very low | 28.3 | Very low | 190 Ų | 190 | 150.8 Ų | 150.8 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | -137.4 | 145.7 | 172.3 | -158 | 158.1 | -173 | 0 | 0 | 112 | ||||
| 2136 | S | 28.5 | Very low | 28.3 | Very low | 94.75 Ų | 94.75 | 148 Ų | 148 | 66% | 0.663 | 79% | 0.785 | S | S | * | * | trans | -62 | 150.7 | 176 | 56.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 2137 | T | 29.5 | Very low | 28.4 | Very low | 123.25 Ų | 123.25 | 143.6 Ų | 143.6 | 76% | 0.756 | 78% | 0.777 | S | S | * | * | 167.4 | 128.6 | 125.1 | -7.8 | 0 | 0 | 0 | 0 | 113 | |||||
| 2138 | D | 26.4 | Very low | 28.5 | Very low | 136.25 Ų | 136.25 | 144.3 Ų | 144.3 | 73% | 0.729 | 77% | 0.774 | S | S | * | * | trans | 5.8 | 143.5 | 140.6 | -63.5 | -38.2 | 0 | 0 | 0 | 116.5 | ||||
| 2139 | Q | 28.1 | Very low | 28.6 | Very low | 171.75 Ų | 171.75 | 143.4 Ų | 143.4 | 80% | 0.803 | 76% | 0.764 | S | S | * | * | 170.3 | 119 | 117.1 | -100.8 | 160.9 | 45.7 | 0 | 0 | 113.6 | |||||
| 2140 | S | 25.9 | Very low | 28.9 | Very low | 109.5 Ų | 109.5 | 139.9 Ų | 139.9 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | trans | 32.9 | 130 | 134.3 | 63.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 2141 | S | 28.2 | Very low | 29.4 | Very low | 109.75 Ų | 109.75 | 137 Ų | 137 | 77% | 0.767 | 75% | 0.753 | S | S | * | * | trans | -178 | 124 | 154.1 | 47.3 | 0 | 0 | 0 | 0 | 111.4 | S2143 | S2141-S2143 PolarHBondContact O-N 3.34Š| ||
| 2142 | S | 25 | Very low | 30.3 | Very low | 114 Ų | 114 | 132.7 Ų | 132.7 | 80% | 0.797 | 74% | 0.742 | S | S | * | * | trans | 40.4 | 132.1 | 143.2 | 40.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 2143 | S | 26.5 | Very low | 31.2 | Very low | 103.25 Ų | 103.25 | 129.5 Ų | 129.5 | 72% | 0.722 | 73% | 0.729 | S | S | * | * | trans | 168.1 | 128.7 | 135.6 | 36.5 | 0 | 0 | 0 | 0 | 111.9 | S2141 | S2141-S2143 PolarHBondContact O-N 3.34Š| ||
| 2144 | S | 26.7 | Very low | 32.4 | Very low | 99 Ų | 99 | 125.5 Ų | 125.5 | 69% | 0.692 | 71% | 0.713 | S | S | * | * | trans | 41.9 | 117.3 | 136.6 | 63 | 0 | 0 | 0 | 0 | 116.2 | L2146 | S2144-L2146 PolarHBondContact O-N 3.46Š| ||
| 2145 | Y | 27.9 | Very low | 33.9 | Very low | 219.5 Ų | 219.5 | 122.6 Ų | 122.6 | 86% | 0.861 | 70% | 0.696 | S | S | * | * | trans | -114.4 | 129.2 | 134.9 | -70.8 | -82.5 | 0 | 0 | 0 | 109.8 | N2147 | Y2145-N2147 VanDerWaalsContact C-N 3.34Å; Y2145-N2147 PolarHBondContact O-N 2.78Å | ||
| 2146 | L | 29.6 | Very low | 35.7 | Very low | 157.75 Ų | 157.75 | 116.6 Ų | 116.6 | 83% | 0.826 | 68% | 0.679 | S | S | * | * | trans | -80.4 | 127 | 167.8 | -124.5 | 117.4 | 0 | 0 | 0 | 110.2 | S2144 K2148 | S2144-L2146 PolarHBondContact O-N 3.46Å; L2146-K2148 HydrophobicContact CD2-CD 4.17Å; L2146-K2148 HydrophobicContact CD2-CG 4.01Å; L2146-K2148 PolarHBondContact O-N 3.44Å | ||
| 2147 | N | 29.8 | Very low | 37.4 | Very low | 129 Ų | 129 | 116.5 Ų | 116.5 | 69% | 0.69 | 67% | 0.67 | S | S | * | * | trans | -48.6 | 133.5 | 170.4 | -76.2 | -28.2 | 0 | 0 | 0 | 111.9 | Y2145 D2149 | Y2145-N2147 VanDerWaalsContact C-N 3.34Å; Y2145-N2147 PolarHBondContact O-N 2.78Å; N2147-D2149 PolarHBondContact ND2-OD2 3.34Å; N2147-D2149 PolarHBondContact O-N 3.18Å; N2147-D2149 PolarHBondContact OD1-OD2 3.38Å | ||
| 2148 | K | 30.8 | Very low | 39.3 | Very low | 169.25 Ų | 169.25 | 113.3 Ų | 113.3 | 74% | 0.736 | 65% | 0.65 | S | S | * | * | -131.6 | 114 | 118.9 | -139.5 | 176.7 | -178.3 | 177.8 | 0 | 109.9 | L2146 T2150 S2155 | L2146-K2148 HydrophobicContact CD2-CD 4.17Å; L2146-K2148 HydrophobicContact CD2-CG 4.01Å; L2146-K2148 PolarHBondContact O-N 3.44Å; K2148-T2150 VanDerWaalsContact C-N 3.27Å; K2148-T2150 PolarHBondContact O-N 3.43Å; K2148-T2150 PolarHBondContact O-OG1 3.05Å; K2148-T2150 VanDerWaalsContact O-OG1 3.13Å; K2148-S2155 VanDerWaalsContact CE-CB 3.43Å; K2148-S2155 WeakPolarHBondContact CE-OG 3.2Å; K2148-S2155 VanDerWaalsContact NZ-CB 3.28Å; K2148-S2155 PolarHBondContact NZ-OG 3.3Å | |||
| 2149 | D | 35.3 | Very low | 41.6 | Very low | 111 Ų | 111 | 114.7 Ų | 114.7 | 59% | 0.594 | 65% | 0.647 | S | S | * | * | trans | -73.3 | 114.7 | 159.4 | -73.2 | -44.1 | 0 | 0 | 0 | 112.5 | N2147 F2151 | N2147-D2149 PolarHBondContact ND2-OD2 3.34Å; N2147-D2149 PolarHBondContact O-N 3.18Å; N2147-D2149 PolarHBondContact OD1-OD2 3.38Å; D2149-F2151 HydrophobicContact CB-CD2 3.89Å; D2149-F2151 HydrophobicContact CB-CE2 3.82Å; D2149-F2151 HydrophobicContact CB-CZ 4.41Å; D2149-F2151 WeakPolarHBondContact O-CD2 3.47Å; D2149-F2151 PolarHBondContact O-N 3.24Å | ||
| 2150 | T | 35.3 | Very low | 43.8 | Very low | 119 Ų | 119 | 109.7 Ų | 109.7 | 73% | 0.73 | 63% | 0.631 | S | S | * | * | trans | -79.5 | 115.1 | 175.5 | -51.4 | 0 | 0 | 0 | 0 | 107.5 | K2148 G2152 | K2148-T2150 VanDerWaalsContact C-N 3.27Å; K2148-T2150 PolarHBondContact O-N 3.43Å; K2148-T2150 PolarHBondContact O-OG1 3.05Å; K2148-T2150 VanDerWaalsContact O-OG1 3.13Å; T2150-G2152 VanDerWaalsContact C-N 3.3Å; T2150-G2152 CarbonylContact C-O 3.47Å; T2150-G2152 WeakPolarHBondContact CB-O 3.43Å; T2150-G2152 WeakPolarHBondContact CG2-O 3.22Å; T2150-G2152 CarbonylContact O-C 3.43Å; T2150-G2152 PolarHBondContact O-N 2.92Å | ||
| 2151 | F | 37.7 | Very low | 46.2 | Very low | 169.25 Ų | 169.25 | 107.3 Ų | 107.3 | 74% | 0.742 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -78.1 | 112.9 | 172.2 | -93.9 | -87.3 | 0 | 0 | 0 | 109.4 | D2149 S2671 D2675 D2885 | D2149-F2151 HydrophobicContact CB-CD2 3.89Å; D2149-F2151 HydrophobicContact CB-CE2 3.82Å; D2149-F2151 HydrophobicContact CB-CZ 4.41Å; D2149-F2151 WeakPolarHBondContact O-CD2 3.47Å; D2149-F2151 PolarHBondContact O-N 3.24Å; F2151-S2671 VanDerWaalsContact O-O 3.09Å; F2151-D2675 VanDerWaalsContact CD2-OD1 3.3Å; F2151-D2675 WeakPolarHBondContact CD2-OD1 3.38Å; F2151-D2885 HydrophobicContact CE1-CB 4.38Å; F2151-D2885 WeakPolarHBondContact CE1-OD1 3.26Å; F2151-D2885 WeakPolarHBondContact CZ-OD1 3.4Å |
| 2152 | G | 45.9 | Very low | 48.6 | Very low | 46.75 Ų | 46.75 | 106 Ų | 106 | 48% | 0.482 | 60% | 0.595 | S | S | . | * | S | Bend | trans | 161.3 | 133.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | T2150 S2154 | T2150-G2152 VanDerWaalsContact C-N 3.3Å; T2150-G2152 CarbonylContact C-O 3.47Å; T2150-G2152 WeakPolarHBondContact CB-O 3.43Å; T2150-G2152 WeakPolarHBondContact CG2-O 3.22Å; T2150-G2152 CarbonylContact O-C 3.43Å; T2150-G2152 PolarHBondContact O-N 2.92Å; G2152-S2154 PolarHBondContact O-N 3.24Å |
| 2153 | P | 49.7 | Very low | 51.1 | Low | 71 Ų | 71 | 102.3 Ų | 102.3 | 46% | 0.461 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -65.2 | 146.5 | -166.1 | 28.4 | -34.3 | 0 | 0 | 0 | 111.5 | S2155 I2157 V2158 F2892 F2895 | P2153-S2155 PolarHBondContact O-N 3.07Å; P2153-I2157 HydrophobicContact CB-CB 3.82Å; P2153-I2157 HydrophobicContact CB-CD1 3.78Å; P2153-I2157 HydrophobicContact CB-CG1 4.41Å; P2153-I2157 HydrophobicContact CB-CG2 3.62Å; P2153-I2157 HydrophobicContact CG-CB 4.46Å; P2153-I2157 HydrophobicContact CG-CG2 3.93Å; P2153-V2158 HydrophobicContact CB-CG2 3.81Å; P2153-V2158 HydrophobicContact CG-CG2 3.96Å; P2153-V2158 WeakPolarHBondContact O-CG2 3.19Å; P2153-F2892 HydrophobicContact CB-CD2 3.75Å; P2153-F2892 HydrophobicContact CB-CE2 3.83Å; P2153-F2895 HydrophobicContact CB-CD1 3.76Å; P2153-F2895 HydrophobicContact CB-CE1 3.94Å; P2153-F2895 HydrophobicContact CB-CG 4.32Å; P2153-F2895 HydrophobicContact CG-CD1 3.91Å; P2153-F2895 HydrophobicContact CG-CD2 4.27Å; P2153-F2895 HydrophobicContact CG-CE1 4.19Å; P2153-F2895 HydrophobicContact CG-CG 3.97Å; P2153-F2895 HydrophobicContact CG-CZ 4.5Å |
| 2154 | S | 55.2 | Low | 53.6 | Low | 65 Ų | 65 | 101.7 Ų | 101.7 | 46% | 0.455 | 56% | 0.562 | S | S | . | * | trans | -51.4 | 140.1 | -173 | 69.4 | 0 | 0 | 0 | 0 | 112.1 | G2152 A2156 I2157 V2158 | G2152-S2154 PolarHBondContact O-N 3.24Å; S2154-A2156 CarbonylContact O-C 3.58Å; S2154-A2156 PolarHBondContact O-N 3.03Å; S2154-I2157 CarbonylContact O-C 3.59Å; S2154-I2157 WeakPolarHBondContact O-CA 3.11Å; S2154-I2157 WeakPolarHBondContact O-CB 3.06Å; S2154-I2157 PolarHBondContact O-N 3.06Å; S2154-I2157 VanDerWaalsContact OG-CD1 3.27Å; S2154-I2157 WeakPolarHBondContact OG-CD1 3.34Å; S2154-I2157 WeakPolarHBondContact OG-CG1 3.1Å; S2154-I2157 PolarHBondContact OG-N 2.92Å; S2154-V2158 PolarHBondContact O-N 3.04Å | ||
| 2155 | S | 61.3 | Low | 55.9 | Low | 65 Ų | 65 | 101.3 Ų | 101.3 | 46% | 0.455 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -56.4 | -25.6 | -174.1 | 56.3 | 0 | 0 | 0 | 0 | 113.8 | K2148 P2153 I2157 V2158 Y2159 | K2148-S2155 VanDerWaalsContact CE-CB 3.43Å; K2148-S2155 WeakPolarHBondContact CE-OG 3.2Å; K2148-S2155 VanDerWaalsContact NZ-CB 3.28Å; K2148-S2155 PolarHBondContact NZ-OG 3.3Å; P2153-S2155 PolarHBondContact O-N 3.07Å; S2155-I2157 VanDerWaalsContact C-N 3.33Å; S2155-I2157 PolarHBondContact O-N 2.92Å; S2155-V2158 PolarHBondContact O-N 3.05Å; S2155-Y2159 WeakPolarHBondContact O-CD2 3.34Å; S2155-Y2159 PolarHBondContact O-N 3.13Å |
| 2156 | A | 65.4 | Low | 58.4 | Low | 65 Ų | 65 | 95.3 Ų | 95.3 | 54% | 0.537 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S2154 Y2159 S2160 | S2154-A2156 CarbonylContact O-C 3.58Å; S2154-A2156 PolarHBondContact O-N 3.03Å; A2156-Y2159 PolarHBondContact O-N 2.87Å; A2156-S2160 WeakPolarHBondContact O-CA 3.32Å; A2156-S2160 VanDerWaalsContact O-CB 3.29Å; A2156-S2160 WeakPolarHBondContact O-CB 3.35Å; A2156-S2160 PolarHBondContact O-N 3.12Å |
| 2157 | I | 65.7 | Low | 60.7 | Low | 92.25 Ų | 92.25 | 92.8 Ų | 92.8 | 47% | 0.473 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70.7 | -37.9 | 176.8 | -60.4 | 170 | 0 | 0 | 0 | 110.4 | P2153 S2154 S2155 Y2159 S2160 V2161 F2895 | P2153-I2157 HydrophobicContact CB-CB 3.82Å; P2153-I2157 HydrophobicContact CB-CD1 3.78Å; P2153-I2157 HydrophobicContact CB-CG1 4.41Å; P2153-I2157 HydrophobicContact CB-CG2 3.62Å; P2153-I2157 HydrophobicContact CG-CB 4.46Å; P2153-I2157 HydrophobicContact CG-CG2 3.93Å; S2154-I2157 CarbonylContact O-C 3.59Å; S2154-I2157 WeakPolarHBondContact O-CA 3.11Å; S2154-I2157 WeakPolarHBondContact O-CB 3.06Å; S2154-I2157 PolarHBondContact O-N 3.06Å; S2154-I2157 VanDerWaalsContact OG-CD1 3.27Å; S2154-I2157 WeakPolarHBondContact OG-CD1 3.34Å; S2154-I2157 WeakPolarHBondContact OG-CG1 3.1Å; S2154-I2157 PolarHBondContact OG-N 2.92Å; S2155-I2157 VanDerWaalsContact C-N 3.33Å; S2155-I2157 PolarHBondContact O-N 2.92Å; I2157-Y2159 PolarHBondContact O-N 3.44Å; I2157-S2160 CarbonylContact O-C 3.6Å; I2157-S2160 PolarHBondContact O-N 3.08Å; I2157-V2161 HydrophobicContact CG2-CG2 4.1Å; I2157-V2161 WeakPolarHBondContact O-CA 3.13Å; I2157-V2161 WeakPolarHBondContact O-CB 3.45Å; I2157-V2161 VanDerWaalsContact O-CG2 3.28Å; I2157-V2161 WeakPolarHBondContact O-CG2 3.37Å; I2157-V2161 PolarHBondContact O-N 3.08Å; I2157-V2161 VanDerWaalsContact O-N 3.13Å; I2157-F2895 HydrophobicContact CG2-CE1 4.23Å |
| 2158 | V | 69.4 | Low | 63 | Low | 56.5 Ų | 56.5 | 90.1 Ų | 90.1 | 34% | 0.342 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.2 | -46.4 | 176.5 | -177 | 0 | 0 | 0 | 0 | 110.6 | P2153 S2154 S2155 S2160 V2161 I2162 T2668 F2895 | P2153-V2158 HydrophobicContact CB-CG2 3.81Å; P2153-V2158 HydrophobicContact CG-CG2 3.96Å; P2153-V2158 WeakPolarHBondContact O-CG2 3.19Å; S2154-V2158 PolarHBondContact O-N 3.04Å; S2155-V2158 PolarHBondContact O-N 3.05Å; V2158-S2160 VanDerWaalsContact C-N 3.3Å; V2158-S2160 PolarHBondContact O-N 2.88Å; V2158-V2161 PolarHBondContact O-N 3.15Å; V2158-V2161 VanDerWaalsContact O-N 3.17Å; V2158-I2162 HydrophobicContact CG1-CD1 3.85Å; V2158-I2162 HydrophobicContact CG1-CG1 4.49Å; V2158-I2162 WeakPolarHBondContact O-CB 3.4Å; V2158-I2162 VanDerWaalsContact O-CD1 3.31Å; V2158-I2162 WeakPolarHBondContact O-CD1 3.29Å; V2158-I2162 VanDerWaalsContact O-CG1 3.26Å; V2158-I2162 WeakPolarHBondContact O-CG1 3.36Å; V2158-I2162 PolarHBondContact O-N 2.82Å; V2158-I2162 VanDerWaalsContact O-N 3.09Å; V2158-T2668 HydrophobicContact CG1-CG2 4.21Å; V2158-T2668 HydrophobicContact CG2-CG2 4.4Å; V2158-F2895 HydrophobicContact CB-CZ 4.23Å; V2158-F2895 HydrophobicContact CG1-CZ 4.26Å; V2158-F2895 HydrophobicContact CG2-CE1 4.19Å; V2158-F2895 HydrophobicContact CG2-CE2 4.27Å; V2158-F2895 HydrophobicContact CG2-CZ 3.76Å |
| 2159 | Y | 74.5 | Confident | 65.2 | Low | 165.75 Ų | 165.75 | 85 Ų | 85 | 65% | 0.65 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68.1 | -33.3 | 176.8 | -66.7 | -54.8 | 0 | 0 | 0 | 113 | S2155 A2156 I2157 I2162 G2163 | S2155-Y2159 WeakPolarHBondContact O-CD2 3.34Å; S2155-Y2159 PolarHBondContact O-N 3.13Å; A2156-Y2159 PolarHBondContact O-N 2.87Å; I2157-Y2159 PolarHBondContact O-N 3.44Å; Y2159-I2162 PolarHBondContact O-N 2.95Å; Y2159-G2163 WeakPolarHBondContact O-CA 3.32Å; Y2159-G2163 PolarHBondContact O-N 2.87Å |
| 2160 | S | 74.7 | Confident | 67.1 | Low | 66.5 Ų | 66.5 | 84.1 Ų | 84.1 | 47% | 0.465 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.5 | -37.7 | 174.5 | -175.3 | 0 | 0 | 0 | 0 | 112.2 | A2156 I2157 V2158 I2162 G2163 I2164 | A2156-S2160 WeakPolarHBondContact O-CA 3.32Å; A2156-S2160 VanDerWaalsContact O-CB 3.29Å; A2156-S2160 WeakPolarHBondContact O-CB 3.35Å; A2156-S2160 PolarHBondContact O-N 3.12Å; I2157-S2160 CarbonylContact O-C 3.6Å; I2157-S2160 PolarHBondContact O-N 3.08Å; V2158-S2160 VanDerWaalsContact C-N 3.3Å; V2158-S2160 PolarHBondContact O-N 2.88Å; S2160-I2162 PolarHBondContact O-N 2.89Å; S2160-G2163 PolarHBondContact O-N 3.02Å; S2160-I2164 WeakPolarHBondContact O-CA 3.35Å; S2160-I2164 WeakPolarHBondContact O-CB 3.24Å; S2160-I2164 VanDerWaalsContact O-CD1 3.26Å; S2160-I2164 WeakPolarHBondContact O-CD1 3.04Å; S2160-I2164 VanDerWaalsContact O-CG1 3.31Å; S2160-I2164 WeakPolarHBondContact O-CG1 3.44Å; S2160-I2164 PolarHBondContact O-N 3.3Å |
| 2161 | V | 76 | Confident | 69 | Low | 58.25 Ų | 58.25 | 82.8 Ų | 82.8 | 35% | 0.353 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -71.2 | -41 | 176.9 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | I2157 V2158 G2163 I2164 L2165 L2903 | I2157-V2161 HydrophobicContact CG2-CG2 4.1Å; I2157-V2161 WeakPolarHBondContact O-CA 3.13Å; I2157-V2161 WeakPolarHBondContact O-CB 3.45Å; I2157-V2161 VanDerWaalsContact O-CG2 3.28Å; I2157-V2161 WeakPolarHBondContact O-CG2 3.37Å; I2157-V2161 PolarHBondContact O-N 3.08Å; I2157-V2161 VanDerWaalsContact O-N 3.13Å; V2158-V2161 PolarHBondContact O-N 3.15Å; V2158-V2161 VanDerWaalsContact O-N 3.17Å; V2161-G2163 VanDerWaalsContact C-N 3.33Å; V2161-G2163 PolarHBondContact O-N 3.06Å; V2161-I2164 CarbonylContact O-C 3.52Å; V2161-I2164 PolarHBondContact O-N 3.08Å; V2161-L2165 HydrophobicContact CG1-CD1 4.05Å; V2161-L2165 WeakPolarHBondContact O-CA 3.39Å; V2161-L2165 WeakPolarHBondContact O-CB 3.39Å; V2161-L2165 WeakPolarHBondContact O-CD1 3.35Å; V2161-L2165 WeakPolarHBondContact O-CG 3.4Å; V2161-L2165 PolarHBondContact O-N 2.87Å; V2161-L2903 HydrophobicContact CG1-CD1 4.32Å |
| 2162 | I | 77.6 | Confident | 70.6 | Confident | 84 Ų | 84 | 79.4 Ų | 79.4 | 43% | 0.431 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 172.8 | -66.4 | 166.6 | 0 | 0 | 0 | 110.4 | V2158 Y2159 S2160 L2165 L2166 | V2158-I2162 HydrophobicContact CG1-CD1 3.85Å; V2158-I2162 HydrophobicContact CG1-CG1 4.49Å; V2158-I2162 WeakPolarHBondContact O-CB 3.4Å; V2158-I2162 VanDerWaalsContact O-CD1 3.31Å; V2158-I2162 WeakPolarHBondContact O-CD1 3.29Å; V2158-I2162 VanDerWaalsContact O-CG1 3.26Å; V2158-I2162 WeakPolarHBondContact O-CG1 3.36Å; V2158-I2162 PolarHBondContact O-N 2.82Å; V2158-I2162 VanDerWaalsContact O-N 3.09Å; Y2159-I2162 PolarHBondContact O-N 2.95Å; S2160-I2162 PolarHBondContact O-N 2.89Å; I2162-L2165 CarbonylContact O-C 3.38Å; I2162-L2165 PolarHBondContact O-N 3.13Å; I2162-L2166 HydrophobicContact CG2-CD1 4.24Å; I2162-L2166 WeakPolarHBondContact O-CB 3.3Å; I2162-L2166 WeakPolarHBondContact O-CG 3.3Å; I2162-L2166 PolarHBondContact O-N 3.03Å |
| 2163 | G | 76.9 | Confident | 71.9 | Confident | 36.25 Ų | 36.25 | 82.8 Ų | 82.8 | 37% | 0.374 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | Y2159 S2160 V2161 L2166 L2167 | Y2159-G2163 WeakPolarHBondContact O-CA 3.32Å; Y2159-G2163 PolarHBondContact O-N 2.87Å; S2160-G2163 PolarHBondContact O-N 3.02Å; V2161-G2163 VanDerWaalsContact C-N 3.33Å; V2161-G2163 PolarHBondContact O-N 3.06Å; G2163-L2166 PolarHBondContact O-N 2.86Å; G2163-L2167 WeakPolarHBondContact O-CB 3.43Å; G2163-L2167 PolarHBondContact O-N 2.88Å |
| 2164 | I | 79 | Confident | 72.9 | Confident | 89.75 Ų | 89.75 | 83.9 Ų | 83.9 | 46% | 0.46 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.8 | -37.5 | 175.6 | -68.4 | 165.8 | 0 | 0 | 0 | 111 | S2160 V2161 L2166 L2167 L2168 L2903 | S2160-I2164 WeakPolarHBondContact O-CA 3.35Å; S2160-I2164 WeakPolarHBondContact O-CB 3.24Å; S2160-I2164 VanDerWaalsContact O-CD1 3.26Å; S2160-I2164 WeakPolarHBondContact O-CD1 3.04Å; S2160-I2164 VanDerWaalsContact O-CG1 3.31Å; S2160-I2164 WeakPolarHBondContact O-CG1 3.44Å; S2160-I2164 PolarHBondContact O-N 3.3Å; V2161-I2164 CarbonylContact O-C 3.52Å; V2161-I2164 PolarHBondContact O-N 3.08Å; I2164-L2166 VanDerWaalsContact C-N 3.34Å; I2164-L2166 PolarHBondContact O-N 3.18Å; I2164-L2167 PolarHBondContact O-N 3.17Å; I2164-L2168 HydrophobicContact CG2-CD1 3.95Å; I2164-L2168 HydrophobicContact CG2-CG 4.21Å; I2164-L2168 WeakPolarHBondContact O-CA 3.18Å; I2164-L2168 WeakPolarHBondContact O-CB 3.41Å; I2164-L2168 WeakPolarHBondContact O-CG 3.4Å; I2164-L2168 PolarHBondContact O-N 3.06Å; I2164-L2903 HydrophobicContact CB-CD2 4.01Å; I2164-L2903 HydrophobicContact CG2-CD2 3.46Å; I2164-L2903 VanDerWaalsContact CG2-CD2 3.46Å |
| 2165 | L | 76.7 | Confident | 73.4 | Confident | 89.5 Ų | 89.5 | 82.1 Ų | 82.1 | 47% | 0.469 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.3 | -36 | 175.3 | -79 | 167.5 | 0 | 0 | 0 | 112.3 | V2161 I2162 L2168 S2169 L2664 I2902 L2903 T2906 | V2161-L2165 HydrophobicContact CG1-CD1 4.05Å; V2161-L2165 WeakPolarHBondContact O-CA 3.39Å; V2161-L2165 WeakPolarHBondContact O-CB 3.39Å; V2161-L2165 WeakPolarHBondContact O-CD1 3.35Å; V2161-L2165 WeakPolarHBondContact O-CG 3.4Å; V2161-L2165 PolarHBondContact O-N 2.87Å; I2162-L2165 CarbonylContact O-C 3.38Å; I2162-L2165 PolarHBondContact O-N 3.13Å; L2165-L2168 PolarHBondContact O-N 2.96Å; L2165-S2169 WeakPolarHBondContact O-CA 3.13Å; L2165-S2169 WeakPolarHBondContact O-CB 3.29Å; L2165-S2169 PolarHBondContact O-N 3.25Å; L2165-L2664 HydrophobicContact CD1-CD1 4.49Å; L2165-I2902 HydrophobicContact CD1-CG2 3.98Å; L2165-I2902 HydrophobicContact CD2-CB 4.45Å; L2165-I2902 HydrophobicContact CD2-CG2 3.6Å; L2165-I2902 HydrophobicContact CG-CG2 4.48Å; L2165-L2903 HydrophobicContact CD2-CD2 3.68Å; L2165-L2903 HydrophobicContact CD2-CG 4.12Å; L2165-L2903 HydrophobicContact CG-CD2 3.84Å; L2165-L2903 HydrophobicContact CG-CG 4.39Å; L2165-T2906 HydrophobicContact CD2-CG2 4.08Å |
| 2166 | L | 79.8 | Confident | 73.6 | Confident | 95 Ų | 95 | 85.4 Ų | 85.4 | 50% | 0.497 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -69.3 | -41.7 | 173.7 | -94.7 | 172.1 | 0 | 0 | 0 | 111.3 | I2162 G2163 I2164 L2168 S2169 I2170 L2233 | I2162-L2166 HydrophobicContact CG2-CD1 4.24Å; I2162-L2166 WeakPolarHBondContact O-CB 3.3Å; I2162-L2166 WeakPolarHBondContact O-CG 3.3Å; I2162-L2166 PolarHBondContact O-N 3.03Å; G2163-L2166 PolarHBondContact O-N 2.86Å; I2164-L2166 VanDerWaalsContact C-N 3.34Å; I2164-L2166 PolarHBondContact O-N 3.18Å; L2166-L2168 PolarHBondContact O-N 3.31Å; L2166-S2169 CarbonylContact O-C 3.55Å; L2166-S2169 PolarHBondContact O-N 3.02Å; L2166-S2169 VanDerWaalsContact O-N 3.15Å; L2166-S2169 PolarHBondContact O-OG 3.41Å; L2166-I2170 HydrophobicContact CD2-CD1 3.67Å; L2166-I2170 HydrophobicContact CD2-CG1 4.08Å; L2166-I2170 VanDerWaalsContact O-CB 3.29Å; L2166-I2170 WeakPolarHBondContact O-CB 3.29Å; L2166-I2170 WeakPolarHBondContact O-CD1 3.26Å; L2166-I2170 VanDerWaalsContact O-CG1 3.29Å; L2166-I2170 WeakPolarHBondContact O-CG1 3.18Å; L2166-I2170 PolarHBondContact O-N 3.11Å; L2166-I2170 VanDerWaalsContact O-N 3.12Å; L2166-L2233 HydrophobicContact CD1-CD2 4.32Å |
| 2167 | L | 78.4 | Confident | 73.6 | Confident | 105.5 Ų | 105.5 | 86.3 Ų | 86.3 | 55% | 0.552 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -63.9 | -43.5 | 175.6 | -166.3 | 101.6 | 0 | 0 | 0 | 111.5 | G2163 I2164 S2169 I2170 I2171 | G2163-L2167 WeakPolarHBondContact O-CB 3.43Å; G2163-L2167 PolarHBondContact O-N 2.88Å; I2164-L2167 PolarHBondContact O-N 3.17Å; L2167-S2169 VanDerWaalsContact C-N 3.32Å; L2167-S2169 PolarHBondContact O-N 3.21Å; L2167-I2170 CarbonylContact O-C 3.58Å; L2167-I2170 WeakPolarHBondContact O-CB 3.17Å; L2167-I2170 PolarHBondContact O-N 3.2Å; L2167-I2170 VanDerWaalsContact O-N 3.16Å; L2167-I2171 HydrophobicContact CD2-CD1 4.01Å; L2167-I2171 HydrophobicContact CG-CD1 4.2Å; L2167-I2171 VanDerWaalsContact O-CB 3.23Å; L2167-I2171 WeakPolarHBondContact O-CB 3.23Å; L2167-I2171 WeakPolarHBondContact O-CD1 3.48Å; L2167-I2171 VanDerWaalsContact O-CG1 3.31Å; L2167-I2171 WeakPolarHBondContact O-CG1 3.38Å; L2167-I2171 PolarHBondContact O-N 3.19Å; L2167-I2171 VanDerWaalsContact O-N 3.13Å |
| 2168 | L | 77.3 | Confident | 73.4 | Confident | 71.5 Ų | 71.5 | 86 Ų | 86 | 37% | 0.374 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66 | -35.6 | 174.8 | -74.4 | 170.7 | 0 | 0 | 0 | 111.9 | I2164 L2165 L2166 I2170 I2171 L2172 L2903 M2907 V2910 | I2164-L2168 HydrophobicContact CG2-CD1 3.95Å; I2164-L2168 HydrophobicContact CG2-CG 4.21Å; I2164-L2168 WeakPolarHBondContact O-CA 3.18Å; I2164-L2168 WeakPolarHBondContact O-CB 3.41Å; I2164-L2168 WeakPolarHBondContact O-CG 3.4Å; I2164-L2168 PolarHBondContact O-N 3.06Å; L2165-L2168 PolarHBondContact O-N 2.96Å; L2166-L2168 PolarHBondContact O-N 3.31Å; L2168-I2170 VanDerWaalsContact C-N 3.31Å; L2168-I2171 CarbonylContact O-C 3.44Å; L2168-I2171 PolarHBondContact O-N 3.14Å; L2168-L2172 WeakPolarHBondContact O-CA 3.5Å; L2168-L2172 WeakPolarHBondContact O-CB 3.36Å; L2168-L2172 WeakPolarHBondContact O-CD1 3.42Å; L2168-L2172 WeakPolarHBondContact O-CG 3.38Å; L2168-L2172 PolarHBondContact O-N 2.95Å; L2168-L2903 HydrophobicContact CD1-CD2 4.26Å; L2168-M2907 HydrophobicContact CD1-CB 4.31Å; L2168-V2910 HydrophobicContact CB-CG2 4.35Å; L2168-V2910 HydrophobicContact CD2-CG2 4.15Å |
| 2169 | S | 76.2 | Confident | 72.6 | Confident | 62 Ų | 62 | 89.1 Ų | 89.1 | 43% | 0.434 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.4 | -36.3 | 174.6 | 129.4 | 0 | 0 | 0 | 0 | 111.9 | L2165 L2166 L2167 I2171 L2172 F2173 | L2165-S2169 WeakPolarHBondContact O-CA 3.13Å; L2165-S2169 WeakPolarHBondContact O-CB 3.29Å; L2165-S2169 PolarHBondContact O-N 3.25Å; L2166-S2169 CarbonylContact O-C 3.55Å; L2166-S2169 PolarHBondContact O-N 3.02Å; L2166-S2169 VanDerWaalsContact O-N 3.15Å; L2166-S2169 PolarHBondContact O-OG 3.41Å; L2167-S2169 VanDerWaalsContact C-N 3.32Å; L2167-S2169 PolarHBondContact O-N 3.21Å; S2169-I2171 VanDerWaalsContact C-N 3.35Å; S2169-L2172 PolarHBondContact O-N 3.39Å; S2169-F2173 WeakPolarHBondContact O-CA 3.23Å; S2169-F2173 VanDerWaalsContact O-CB 3.31Å; S2169-F2173 WeakPolarHBondContact O-CB 3.38Å; S2169-F2173 PolarHBondContact O-N 2.97Å |
| 2170 | I | 77.1 | Confident | 71.4 | Confident | 92.5 Ų | 92.5 | 86.3 Ų | 86.3 | 47% | 0.474 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -69.2 | -40.5 | 175 | -70.1 | 165 | 0 | 0 | 0 | 110.7 | L2166 L2167 L2168 L2172 F2173 I2174 | L2166-I2170 HydrophobicContact CD2-CD1 3.67Å; L2166-I2170 HydrophobicContact CD2-CG1 4.08Å; L2166-I2170 VanDerWaalsContact O-CB 3.29Å; L2166-I2170 WeakPolarHBondContact O-CB 3.29Å; L2166-I2170 WeakPolarHBondContact O-CD1 3.26Å; L2166-I2170 VanDerWaalsContact O-CG1 3.29Å; L2166-I2170 WeakPolarHBondContact O-CG1 3.18Å; L2166-I2170 PolarHBondContact O-N 3.11Å; L2166-I2170 VanDerWaalsContact O-N 3.12Å; L2167-I2170 CarbonylContact O-C 3.58Å; L2167-I2170 WeakPolarHBondContact O-CB 3.17Å; L2167-I2170 PolarHBondContact O-N 3.2Å; L2167-I2170 VanDerWaalsContact O-N 3.16Å; L2168-I2170 VanDerWaalsContact C-N 3.31Å; I2170-L2172 VanDerWaalsContact C-N 3.35Å; I2170-L2172 PolarHBondContact O-N 2.87Å; I2170-F2173 WeakPolarHBondContact O-CB 3.46Å; I2170-F2173 PolarHBondContact O-N 2.85Å; I2170-I2174 HydrophobicContact CG2-CD1 3.81Å; I2170-I2174 HydrophobicContact CG2-CG1 4.4Å; I2170-I2174 WeakPolarHBondContact O-CA 3.46Å; I2170-I2174 WeakPolarHBondContact O-CB 3.38Å; I2170-I2174 WeakPolarHBondContact O-CD1 3.44Å; I2170-I2174 VanDerWaalsContact O-CG1 3.31Å; I2170-I2174 WeakPolarHBondContact O-CG1 3.41Å; I2170-I2174 PolarHBondContact O-N 2.87Å |
| 2171 | I | 74.7 | Confident | 70 | Confident | 90.5 Ų | 90.5 | 89.3 Ų | 89.3 | 46% | 0.464 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.2 | -38.4 | 176.3 | -67.5 | 165.3 | 0 | 0 | 0 | 110.9 | L2167 L2168 S2169 F2173 I2174 G2175 V2910 | L2167-I2171 HydrophobicContact CD2-CD1 4.01Å; L2167-I2171 HydrophobicContact CG-CD1 4.2Å; L2167-I2171 VanDerWaalsContact O-CB 3.23Å; L2167-I2171 WeakPolarHBondContact O-CB 3.23Å; L2167-I2171 WeakPolarHBondContact O-CD1 3.48Å; L2167-I2171 VanDerWaalsContact O-CG1 3.31Å; L2167-I2171 WeakPolarHBondContact O-CG1 3.38Å; L2167-I2171 PolarHBondContact O-N 3.19Å; L2167-I2171 VanDerWaalsContact O-N 3.13Å; L2168-I2171 CarbonylContact O-C 3.44Å; L2168-I2171 PolarHBondContact O-N 3.14Å; S2169-I2171 VanDerWaalsContact C-N 3.35Å; I2171-F2173 VanDerWaalsContact C-N 3.34Å; I2171-F2173 PolarHBondContact O-N 3.33Å; I2171-I2174 PolarHBondContact O-N 3.16Å; I2171-G2175 WeakPolarHBondContact O-CA 3.32Å; I2171-G2175 PolarHBondContact O-N 2.95Å; I2171-V2910 HydrophobicContact CG2-CG1 3.79Å |
| 2172 | L | 70.9 | Confident | 68.8 | Low | 99.25 Ų | 99.25 | 91.1 Ų | 91.1 | 52% | 0.52 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.5 | -38.2 | 172.3 | -83.3 | 166.8 | 0 | 0 | 0 | 111.9 | L2168 S2169 I2170 I2174 G2175 F2176 V2910 L2913 | L2168-L2172 WeakPolarHBondContact O-CA 3.5Å; L2168-L2172 WeakPolarHBondContact O-CB 3.36Å; L2168-L2172 WeakPolarHBondContact O-CD1 3.42Å; L2168-L2172 WeakPolarHBondContact O-CG 3.38Å; L2168-L2172 PolarHBondContact O-N 2.95Å; S2169-L2172 PolarHBondContact O-N 3.39Å; I2170-L2172 VanDerWaalsContact C-N 3.35Å; I2170-L2172 PolarHBondContact O-N 2.87Å; L2172-I2174 PolarHBondContact O-N 2.83Å; L2172-G2175 CarbonylContact O-C 3.52Å; L2172-G2175 WeakPolarHBondContact O-CA 3.13Å; L2172-G2175 PolarHBondContact O-N 3.26Å; L2172-G2175 VanDerWaalsContact O-N 3.16Å; L2172-F2176 HydrophobicContact CB-CE2 4.46Å; L2172-F2176 WeakPolarHBondContact O-CA 3.34Å; L2172-F2176 WeakPolarHBondContact O-CB 3.2Å; L2172-F2176 WeakPolarHBondContact O-CD2 3.31Å; L2172-F2176 PolarHBondContact O-N 2.99Å; L2172-V2910 HydrophobicContact CD1-CG2 4.16Å; L2172-V2910 HydrophobicContact CD2-CB 4.28Å; L2172-V2910 HydrophobicContact CD2-CG2 3.63Å; L2172-V2910 HydrophobicContact CG-CG2 3.53Å; L2172-L2913 HydrophobicContact CD2-CD1 4.06Å |
| 2173 | F | 73.8 | Confident | 67.4 | Low | 117.75 Ų | 117.75 | 90.6 Ų | 90.6 | 52% | 0.516 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.3 | -45.2 | 177.3 | -171.4 | -95.2 | 0 | 0 | 0 | 111.5 | S2169 I2170 I2171 G2175 F2176 V2177 L2226 F2641 I2648 | S2169-F2173 WeakPolarHBondContact O-CA 3.23Å; S2169-F2173 VanDerWaalsContact O-CB 3.31Å; S2169-F2173 WeakPolarHBondContact O-CB 3.38Å; S2169-F2173 PolarHBondContact O-N 2.97Å; I2170-F2173 WeakPolarHBondContact O-CB 3.46Å; I2170-F2173 PolarHBondContact O-N 2.85Å; I2171-F2173 VanDerWaalsContact C-N 3.34Å; I2171-F2173 PolarHBondContact O-N 3.33Å; F2173-G2175 VanDerWaalsContact C-N 3.29Å; F2173-G2175 PolarHBondContact O-N 3.28Å; F2173-F2176 PolarHBondContact O-N 3.19Å; F2173-V2177 HydrophobicContact CD1-CG2 4.19Å; F2173-V2177 HydrophobicContact CE1-CG2 3.88Å; F2173-V2177 HydrophobicContact CE2-CG2 4.4Å; F2173-V2177 HydrophobicContact CZ-CG2 4.16Å; F2173-V2177 WeakPolarHBondContact O-CB 3.06Å; F2173-V2177 VanDerWaalsContact O-CG2 3.29Å; F2173-V2177 WeakPolarHBondContact O-CG2 3.32Å; F2173-V2177 PolarHBondContact O-N 2.94Å; F2173-V2177 VanDerWaalsContact O-N 3.1Å; F2173-L2226 HydrophobicContact CD2-CD1 4.09Å; F2173-L2226 HydrophobicContact CE2-CD1 3.85Å; F2173-F2641 HydrophobicContact CE1-CD2 4.42Å; F2173-F2641 HydrophobicContact CE1-CE1 4.49Å; F2173-F2641 AromaticContact CE1-CE2 3.64Å; F2173-F2641 HydrophobicContact CE1-CE2 3.64Å; F2173-F2641 AromaticContact CE1-CZ 3.7Å; F2173-F2641 HydrophobicContact CE1-CZ 3.7Å; F2173-F2641 HydrophobicContact CZ-CD1 4.34Å; F2173-F2641 HydrophobicContact CZ-CD2 4.29Å; F2173-F2641 AromaticContact CZ-CE1 3.73Å; F2173-F2641 HydrophobicContact CZ-CE1 3.73Å; F2173-F2641 AromaticContact CZ-CE2 3.67Å; F2173-F2641 HydrophobicContact CZ-CE2 3.67Å; F2173-F2641 AromaticContact CZ-CZ 3.38Å; F2173-F2641 HydrophobicContact CZ-CZ 3.38Å; F2173-I2648 HydrophobicContact CD2-CD1 3.48Å; F2173-I2648 VanDerWaalsContact CD2-CD1 3.48Å; F2173-I2648 HydrophobicContact CE2-CD1 3.96Å |
| 2174 | I | 70.7 | Confident | 65.9 | Low | 94.5 Ų | 94.5 | 94.9 Ų | 94.9 | 49% | 0.485 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61 | -44.9 | 171.9 | -66.6 | 166.4 | 0 | 0 | 0 | 109.6 | I2170 I2171 L2172 F2176 V2177 T2178 | I2170-I2174 HydrophobicContact CG2-CD1 3.81Å; I2170-I2174 HydrophobicContact CG2-CG1 4.4Å; I2170-I2174 WeakPolarHBondContact O-CA 3.46Å; I2170-I2174 WeakPolarHBondContact O-CB 3.38Å; I2170-I2174 WeakPolarHBondContact O-CD1 3.44Å; I2170-I2174 VanDerWaalsContact O-CG1 3.31Å; I2170-I2174 WeakPolarHBondContact O-CG1 3.41Å; I2170-I2174 PolarHBondContact O-N 2.87Å; I2171-I2174 PolarHBondContact O-N 3.16Å; L2172-I2174 PolarHBondContact O-N 2.83Å; I2174-F2176 VanDerWaalsContact C-N 3.26Å; I2174-F2176 PolarHBondContact O-N 2.7Å; I2174-V2177 CarbonylContact O-C 3.48Å; I2174-V2177 PolarHBondContact O-N 2.92Å; I2174-V2177 VanDerWaalsContact O-N 3.14Å; I2174-T2178 HydrophobicContact CG2-CG2 4.14Å; I2174-T2178 WeakPolarHBondContact O-CA 3.14Å; I2174-T2178 WeakPolarHBondContact O-CB 3.32Å; I2174-T2178 VanDerWaalsContact O-CG2 3.31Å; I2174-T2178 WeakPolarHBondContact O-CG2 3.35Å; I2174-T2178 PolarHBondContact O-N 3.18Å; I2174-T2178 VanDerWaalsContact O-N 3.09Å; I2174-T2178 PolarHBondContact O-OG1 2.93Å |
| 2175 | G | 65.5 | Low | 64.3 | Low | 27 Ų | 27 | 94.3 Ų | 94.3 | 28% | 0.278 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.5 | -36.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | I2171 L2172 F2173 V2177 T2178 E2179 | I2171-G2175 WeakPolarHBondContact O-CA 3.32Å; I2171-G2175 PolarHBondContact O-N 2.95Å; L2172-G2175 CarbonylContact O-C 3.52Å; L2172-G2175 WeakPolarHBondContact O-CA 3.13Å; L2172-G2175 PolarHBondContact O-N 3.26Å; L2172-G2175 VanDerWaalsContact O-N 3.16Å; F2173-G2175 VanDerWaalsContact C-N 3.29Å; F2173-G2175 PolarHBondContact O-N 3.28Å; G2175-V2177 PolarHBondContact O-N 3.44Å; G2175-T2178 WeakPolarHBondContact CA-OG1 3.23Å; G2175-T2178 CarbonylContact O-C 3.59Å; G2175-T2178 PolarHBondContact O-N 2.87Å; G2175-T2178 PolarHBondContact O-OG1 3.03Å; G2175-E2179 WeakPolarHBondContact O-CA 3.38Å; G2175-E2179 WeakPolarHBondContact O-CB 3.35Å; G2175-E2179 PolarHBondContact O-N 3.07Å |
| 2176 | F | 64.3 | Low | 62.7 | Low | 134.5 Ų | 134.5 | 97.6 Ų | 97.6 | 59% | 0.59 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -79.4 | -32.2 | 177.9 | -127.1 | -82.6 | 0 | 0 | 0 | 112.9 | L2172 F2173 I2174 T2178 E2179 A2644 T2647 I2648 L2913 | L2172-F2176 HydrophobicContact CB-CE2 4.46Å; L2172-F2176 WeakPolarHBondContact O-CA 3.34Å; L2172-F2176 WeakPolarHBondContact O-CB 3.2Å; L2172-F2176 WeakPolarHBondContact O-CD2 3.31Å; L2172-F2176 PolarHBondContact O-N 2.99Å; F2173-F2176 PolarHBondContact O-N 3.19Å; I2174-F2176 VanDerWaalsContact C-N 3.26Å; I2174-F2176 PolarHBondContact O-N 2.7Å; F2176-T2178 VanDerWaalsContact C-N 3.33Å; F2176-T2178 PolarHBondContact O-N 3.36Å; F2176-E2179 WeakPolarHBondContact CD2-OE2 3.21Å; F2176-A2644 HydrophobicContact CB-CB 3.5Å; F2176-A2644 VanDerWaalsContact CB-CB 3.5Å; F2176-T2647 HydrophobicContact CD1-CG2 4.33Å; F2176-T2647 HydrophobicContact CE1-CG2 3.91Å; F2176-T2647 HydrophobicContact CZ-CG2 4.37Å; F2176-I2648 HydrophobicContact CD2-CG1 4.42Å; F2176-L2913 HydrophobicContact CD1-CD1 4.43Å; F2176-L2913 HydrophobicContact CD2-CD1 4.34Å; F2176-L2913 HydrophobicContact CE1-CD1 4.33Å; F2176-L2913 HydrophobicContact CE2-CD1 4.24Å; F2176-L2913 HydrophobicContact CG-CD1 4.42Å; F2176-L2913 HydrophobicContact CZ-CD1 4.24Å |
| 2177 | V | 66.1 | Low | 61 | Low | 83.5 Ų | 83.5 | 97.8 Ų | 97.8 | 51% | 0.506 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -74.4 | -25.8 | 174.5 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | F2173 I2174 G2175 F2641 A2644 | F2173-V2177 HydrophobicContact CD1-CG2 4.19Å; F2173-V2177 HydrophobicContact CE1-CG2 3.88Å; F2173-V2177 HydrophobicContact CE2-CG2 4.4Å; F2173-V2177 HydrophobicContact CZ-CG2 4.16Å; F2173-V2177 WeakPolarHBondContact O-CB 3.06Å; F2173-V2177 VanDerWaalsContact O-CG2 3.29Å; F2173-V2177 WeakPolarHBondContact O-CG2 3.32Å; F2173-V2177 PolarHBondContact O-N 2.94Å; F2173-V2177 VanDerWaalsContact O-N 3.1Å; I2174-V2177 CarbonylContact O-C 3.48Å; I2174-V2177 PolarHBondContact O-N 2.92Å; I2174-V2177 VanDerWaalsContact O-N 3.14Å; G2175-V2177 PolarHBondContact O-N 3.44Å; V2177-F2641 HydrophobicContact CG1-CD2 4.25Å; V2177-F2641 HydrophobicContact CG2-CD2 3.94Å; V2177-F2641 HydrophobicContact CG2-CE2 4.39Å; V2177-A2644 HydrophobicContact CG2-CB 3.7Å |
| 2178 | T | 62.2 | Low | 59.2 | Low | 87 Ų | 87 | 103.1 Ų | 103.1 | 53% | 0.534 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 8.8 | -179.4 | 62.8 | 0 | 0 | 0 | 0 | 113.5 | I2174 G2175 F2176 P2180 | I2174-T2178 HydrophobicContact CG2-CG2 4.14Å; I2174-T2178 WeakPolarHBondContact O-CA 3.14Å; I2174-T2178 WeakPolarHBondContact O-CB 3.32Å; I2174-T2178 VanDerWaalsContact O-CG2 3.31Å; I2174-T2178 WeakPolarHBondContact O-CG2 3.35Å; I2174-T2178 PolarHBondContact O-N 3.18Å; I2174-T2178 VanDerWaalsContact O-N 3.09Å; I2174-T2178 PolarHBondContact O-OG1 2.93Å; G2175-T2178 WeakPolarHBondContact CA-OG1 3.23Å; G2175-T2178 CarbonylContact O-C 3.59Å; G2175-T2178 PolarHBondContact O-N 2.87Å; G2175-T2178 PolarHBondContact O-OG1 3.03Å; F2176-T2178 VanDerWaalsContact C-N 3.33Å; F2176-T2178 PolarHBondContact O-N 3.36Å; T2178-P2180 VanDerWaalsContact O-CD 3.27Å; T2178-P2180 WeakPolarHBondContact O-CD 3.34Å |
| 2179 | E | 52.7 | Low | 57.5 | Low | 120.5 Ų | 120.5 | 106.7 Ų | 106.7 | 56% | 0.563 | 57% | 0.566 | S | S | * | * | trans | -71.2 | 112.4 | 177.2 | -162.7 | 165.7 | -176.1 | 0 | 0 | 109.3 | G2175 F2176 D2181 | G2175-E2179 WeakPolarHBondContact O-CA 3.38Å; G2175-E2179 WeakPolarHBondContact O-CB 3.35Å; G2175-E2179 PolarHBondContact O-N 3.07Å; F2176-E2179 WeakPolarHBondContact CD2-OE2 3.21Å; E2179-D2181 PolarHBondContact O-N 2.88Å | ||
| 2180 | P | 48.3 | Very low | 55.9 | Low | 107.5 Ų | 107.5 | 106.7 Ų | 106.7 | 70% | 0.698 | 58% | 0.575 | S | S | * | * | trans | -74 | 127.9 | -177.7 | 29.6 | -31.1 | 0 | 0 | 0 | 109.6 | T2178 P2182 | T2178-P2180 VanDerWaalsContact O-CD 3.27Å; T2178-P2180 WeakPolarHBondContact O-CD 3.34Å; P2180-P2182 WeakPolarHBondContact O-CD 3.42Å; P2180-P2182 VanDerWaalsContact O-N 3.11Å | ||
| 2181 | D | 46.7 | Very low | 54.2 | Low | 128.5 Ų | 128.5 | 108.5 Ų | 108.5 | 69% | 0.687 | 59% | 0.593 | S | S | * | * | trans | -43.9 | 115.9 | -180 | -80.8 | -45.7 | 0 | 0 | 0 | 112 | E2179 T2183 M2184 | E2179-D2181 PolarHBondContact O-N 2.88Å; D2181-T2183 HydrophobicContact CB-CG2 4.47Å; D2181-T2183 PolarHBondContact O-N 3.11Å; D2181-M2184 HydrophobicContact CB-CG 4.19Å; D2181-M2184 PolarHBondContact O-N 2.87Å | ||
| 2182 | P | 49.1 | Very low | 52.4 | Low | 96 Ų | 96 | 111.8 Ų | 111.8 | 62% | 0.623 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -74.8 | 19.5 | -174 | 29.1 | -34.7 | 0 | 0 | 0 | 113.4 | P2180 M2184 V2618 | P2180-P2182 WeakPolarHBondContact O-CD 3.42Å; P2180-P2182 VanDerWaalsContact O-N 3.11Å; P2182-M2184 PolarHBondContact O-N 3Å; P2182-V2618 HydrophobicContact CB-CG1 4.5Å; P2182-V2618 HydrophobicContact CG-CG1 3.83Å |
| 2183 | T | 48.3 | Very low | 50.8 | Low | 74 Ų | 74 | 114.2 Ų | 114.2 | 45% | 0.454 | 62% | 0.623 | S | S | . | * | G | 310 helix | trans | -86.4 | -0.8 | 180 | 58.3 | 0 | 0 | 0 | 0 | 114.1 | D2181 A2185 W2186 N2208 I2620 | D2181-T2183 HydrophobicContact CB-CG2 4.47Å; D2181-T2183 PolarHBondContact O-N 3.11Å; T2183-A2185 PolarHBondContact O-N 3.43Å; T2183-W2186 PolarHBondContact O-N 3.19Å; T2183-W2186 VanDerWaalsContact O-N 3.17Å; T2183-N2208 PolarHBondContact O-ND2 3.43Å; T2183-I2620 HydrophobicContact CG2-CB 4.32Å; T2183-I2620 HydrophobicContact CG2-CD1 4.09Å; T2183-I2620 HydrophobicContact CG2-CG1 3.87Å; T2183-I2620 HydrophobicContact CG2-CG2 3.88Å |
| 2184 | M | 45.8 | Very low | 49.2 | Very low | 126.5 Ų | 126.5 | 113.9 Ų | 113.9 | 62% | 0.623 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -104.2 | 36.3 | -179.3 | -67 | -79.8 | -79.7 | 0 | 0 | 111.8 | D2181 P2182 W2186 L2205 V2206 N2208 | D2181-M2184 HydrophobicContact CB-CG 4.19Å; D2181-M2184 PolarHBondContact O-N 2.87Å; P2182-M2184 PolarHBondContact O-N 3Å; M2184-W2186 VanDerWaalsContact C-N 3.27Å; M2184-L2205 HydrophobicContact CE-CD2 3.44Å; M2184-L2205 VanDerWaalsContact CE-CD2 3.44Å; M2184-L2205 HydrophobicContact SD-CD2 3.81Å; M2184-V2206 VanDerWaalsContact CE-O 3.27Å; M2184-V2206 WeakPolarHBondContact CE-O 3.11Å; M2184-V2206 VanDerWaalsContact SD-O 3.36Å; M2184-N2208 HydrophobicContact SD-CB 3.95Å; M2184-N2208 PolarHBondContact SD-N 2.74Å |
| 2185 | A | 46.6 | Very low | 47.5 | Very low | 77 Ų | 77 | 118.4 Ų | 118.4 | 64% | 0.636 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -93.7 | 64 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T2183 | T2183-A2185 PolarHBondContact O-N 3.43Š|
| 2186 | W | 42.5 | Very low | 46.2 | Very low | 159 Ų | 159 | 121.8 Ų | 121.8 | 60% | 0.602 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -104.2 | 77 | -178.4 | -33.2 | 71.2 | 0 | 0 | 0 | 112.4 | T2183 M2184 V2203 L2205 N2208 V2925 | T2183-W2186 PolarHBondContact O-N 3.19Å; T2183-W2186 VanDerWaalsContact O-N 3.17Å; M2184-W2186 VanDerWaalsContact C-N 3.27Å; W2186-V2203 HydrophobicContact CE3-CG1 4.15Å; W2186-V2203 HydrophobicContact CZ3-CG1 3.83Å; W2186-L2205 HydrophobicContact CD2-CD1 4.34Å; W2186-L2205 HydrophobicContact CE3-CD1 3.65Å; W2186-L2205 HydrophobicContact CE3-CG 4.37Å; W2186-L2205 HydrophobicContact CH2-CD1 3.51Å; W2186-L2205 HydrophobicContact CH2-CD2 4.28Å; W2186-L2205 HydrophobicContact CZ2-CD1 4.17Å; W2186-L2205 HydrophobicContact CZ3-CD1 3.2Å; W2186-L2205 HydrophobicContact CZ3-CG 4.31Å; W2186-N2208 HydrophobicContact CD2-CB 3.86Å; W2186-N2208 VanDerWaalsContact CE2-ND2 3.35Å; W2186-N2208 HydrophobicContact CE3-CB 3.58Å; W2186-N2208 HydrophobicContact CH2-CB 3.43Å; W2186-N2208 VanDerWaalsContact CH2-CB 3.43Å; W2186-N2208 HydrophobicContact CZ2-CB 3.71Å; W2186-N2208 WeakPolarHBondContact CZ2-ND2 3.42Å; W2186-N2208 HydrophobicContact CZ3-CB 3.37Å; W2186-V2925 HydrophobicContact CZ2-CG2 4.26Å |
| 2187 | V | 44.8 | Very low | 44.8 | Very low | 99.5 Ų | 99.5 | 122.5 Ų | 122.5 | 60% | 0.603 | 68% | 0.684 | S | S | * | * | trans | -128 | 108.2 | 170 | -175.5 | 0 | 0 | 0 | 0 | 109.5 | V2203 | V2187-V2203 HydrophobicContact CG1-CG1 4.45Š| ||
| 2188 | R | 39 | Very low | 43.6 | Very low | 217.25 Ų | 217.25 | 126.2 Ų | 126.2 | 82% | 0.82 | 70% | 0.7 | S | S | * | * | trans | -95.3 | 109.2 | 170.1 | -120.2 | -179.1 | -176.8 | 166.9 | 0.9 | 108.8 | D2201 V2206 | R2188-D2201 IonicContact CZ-OD2 2.7Å; R2188-D2201 IonicContact NE-OD2 3.93Å; R2188-D2201 IonicContact NH2-OD2 3.3Å; R2188-D2201 PolarHBondContact NH2-OD2 3.26Å; R2188-V2206 HydrophobicContact CB-CG2 4.43Å | ||
| 2189 | L | 42.2 | Very low | 42.3 | Very low | 147 Ų | 147 | 129.8 Ų | 129.8 | 77% | 0.77 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 123.2 | 167.6 | -76.8 | 151.3 | 0 | 0 | 0 | 107.9 | ||
| 2190 | G | 42.1 | Very low | 41.7 | Very low | 61 Ų | 61 | 127 Ų | 127 | 63% | 0.629 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 152.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I2192 | G2190-I2192 PolarHBondContact O-N 3.08Š|
| 2191 | P | 42.1 | Very low | 41.3 | Very low | 131.75 Ų | 131.75 | 128.9 Ų | 128.9 | 86% | 0.856 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 124.3 | 179.9 | 30.2 | -31.4 | 0 | 0 | 0 | 110.3 | ||
| 2192 | I | 37.9 | Very low | 41.2 | Very low | 159.75 Ų | 159.75 | 133.4 Ų | 133.4 | 82% | 0.819 | 73% | 0.732 | S | S | * | * | trans | -108.4 | 115.8 | 169.1 | -64 | 176.7 | 0 | 0 | 0 | 107.9 | G2190 S2194 | G2190-I2192 PolarHBondContact O-N 3.08Å; I2192-S2194 PolarHBondContact O-N 2.87Å; I2192-S2194 VanDerWaalsContact O-N 3.14Å | ||
| 2193 | D | 36.8 | Very low | 40.8 | Very low | 149 Ų | 149 | 133.2 Ų | 133.2 | 80% | 0.797 | 73% | 0.728 | S | S | * | * | trans | -52.7 | 117 | 164.6 | -68.3 | -37.1 | 0 | 0 | 0 | 113.8 | ||||
| 2194 | S | 39.3 | Very low | 40.8 | Very low | 111.5 Ų | 111.5 | 132.8 Ų | 132.8 | 78% | 0.78 | 73% | 0.732 | S | S | * | * | trans | 120.1 | 106.9 | 142.7 | 50.9 | 0 | 0 | 0 | 0 | 116.1 | I2192 | I2192-S2194 PolarHBondContact O-N 2.87Å; I2192-S2194 VanDerWaalsContact O-N 3.14Å | ||
| 2195 | Q | 35.7 | Very low | 40.5 | Very low | 188 Ų | 188 | 132.1 Ų | 132.1 | 88% | 0.879 | 73% | 0.731 | S | S | * | * | trans | 120.5 | 115.4 | 130.5 | -142.2 | 158 | 2.7 | 0 | 0 | 115.8 | ||||
| 2196 | S | 36.7 | Very low | 40.4 | Very low | 98.75 Ų | 98.75 | 133.3 Ų | 133.3 | 69% | 0.691 | 73% | 0.729 | S | S | * | * | trans | -8.9 | 133.1 | 170.5 | 58.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 2197 | N | 36 | Very low | 40.6 | Very low | 149 Ų | 149 | 130.5 Ų | 130.5 | 80% | 0.797 | 73% | 0.734 | S | S | * | * | trans | 80.2 | 73.8 | 151.8 | -73.9 | -9.3 | 0 | 0 | 0 | 118 | ||||
| 2198 | L | 40 | Very low | 40.3 | Very low | 161.75 Ų | 161.75 | 129.3 Ų | 129.3 | 85% | 0.847 | 73% | 0.725 | S | S | * | * | -170.6 | 117.9 | 129.3 | -121 | 78.5 | 0 | 0 | 0 | 111.5 | G2200 L2943 | L2198-G2200 PolarHBondContact O-N 3.36Å; L2198-L2943 WeakPolarHBondContact CD2-OXT 3.38Å | |||
| 2199 | D | 35.7 | Very low | 40.5 | Very low | 161.75 Ų | 161.75 | 124 Ų | 124 | 87% | 0.865 | 72% | 0.719 | S | S | * | * | trans | -87.6 | 130 | -169.3 | -96.8 | -35.5 | 0 | 0 | 0 | 109.9 | ||||
| 2200 | G | 40.9 | Very low | 40.5 | Very low | 61.75 Ų | 61.75 | 123 Ų | 123 | 64% | 0.637 | 71% | 0.713 | S | S | * | * | trans | -178.7 | 102.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L2198 R2202 | L2198-G2200 PolarHBondContact O-N 3.36Å; G2200-R2202 VanDerWaalsContact C-N 3.3Å; G2200-R2202 PolarHBondContact O-N 3.13Å; G2200-R2202 VanDerWaalsContact O-N 3.1Å | ||
| 2201 | D | 39.9 | Very low | 40.5 | Very low | 148.667 Ų | 148.667 | 129.2 Ų | 129.2 | 80% | 0.795 | 72% | 0.717 | S | S | * | * | trans | -60.6 | 106.3 | 173.7 | -98.4 | -7.8 | 0 | 0 | 0 | 111 | R2188 V2203 | R2188-D2201 IonicContact CZ-OD2 2.7Å; R2188-D2201 IonicContact NE-OD2 3.93Å; R2188-D2201 IonicContact NH2-OD2 3.3Å; R2188-D2201 PolarHBondContact NH2-OD2 3.26Å; D2201-V2203 PolarHBondContact O-N 2.76Å; D2201-V2203 VanDerWaalsContact O-N 3.11Å | ||
| 2202 | R | 43.3 | Very low | 40.5 | Very low | 223.333 Ų | 223.333 | 130.8 Ų | 130.8 | 84% | 0.843 | 71% | 0.713 | S | S | * | * | trans | -95.8 | 111.6 | 172.3 | -74 | -174.7 | 173.1 | -176.8 | -0.8 | 110.5 | G2200 A2204 L2943 | G2200-R2202 VanDerWaalsContact C-N 3.3Å; G2200-R2202 PolarHBondContact O-N 3.13Å; G2200-R2202 VanDerWaalsContact O-N 3.1Å; R2202-A2204 PolarHBondContact O-N 3.37Å; R2202-L2943 VanDerWaalsContact NH2-CD1 3.26Å | ||
| 2203 | V | 42.1 | Very low | 40.8 | Very low | 91.6667 Ų | 91.6667 | 131.2 Ų | 131.2 | 56% | 0.556 | 71% | 0.71 | S | S | * | * | trans | -95.6 | 123.7 | 169.6 | -179 | 0 | 0 | 0 | 0 | 108.6 | W2186 V2187 D2201 L2205 L2627 | W2186-V2203 HydrophobicContact CE3-CG1 4.15Å; W2186-V2203 HydrophobicContact CZ3-CG1 3.83Å; V2187-V2203 HydrophobicContact CG1-CG1 4.45Å; D2201-V2203 PolarHBondContact O-N 2.76Å; D2201-V2203 VanDerWaalsContact O-N 3.11Å; V2203-L2205 PolarHBondContact O-N 2.85Å; V2203-L2627 HydrophobicContact CG2-CD2 4.16Å | ||
| 2204 | A | 46.7 | Very low | 41.1 | Very low | 65 Ų | 65 | 131.8 Ų | 131.8 | 54% | 0.537 | 70% | 0.703 | S | S | . | * | trans | -113.5 | 126.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | R2202 V2206 | R2202-A2204 PolarHBondContact O-N 3.37Å; A2204-V2206 PolarHBondContact O-N 2.86Å; A2204-V2206 VanDerWaalsContact O-N 3.15Å | ||
| 2205 | L | 40.6 | Very low | 41.4 | Very low | 112.333 Ų | 112.333 | 134.4 Ų | 134.4 | 59% | 0.588 | 71% | 0.708 | S | S | * | * | B | Isolated β-bridge | trans | -78.9 | 118.1 | 171.1 | -83.5 | 142.7 | 0 | 0 | 0 | 109.7 | M2184 W2186 V2203 L2622 | M2184-L2205 HydrophobicContact CE-CD2 3.44Å; M2184-L2205 VanDerWaalsContact CE-CD2 3.44Å; M2184-L2205 HydrophobicContact SD-CD2 3.81Å; W2186-L2205 HydrophobicContact CD2-CD1 4.34Å; W2186-L2205 HydrophobicContact CE3-CD1 3.65Å; W2186-L2205 HydrophobicContact CE3-CG 4.37Å; W2186-L2205 HydrophobicContact CH2-CD1 3.51Å; W2186-L2205 HydrophobicContact CH2-CD2 4.28Å; W2186-L2205 HydrophobicContact CZ2-CD1 4.17Å; W2186-L2205 HydrophobicContact CZ3-CD1 3.2Å; W2186-L2205 HydrophobicContact CZ3-CG 4.31Å; V2203-L2205 PolarHBondContact O-N 2.85Å; L2205-L2622 HydrophobicContact CD1-CD1 4.45Å; L2205-L2622 HydrophobicContact CD2-CD2 4.14Å |
| 2206 | V | 43.2 | Very low | 42.2 | Very low | 100.667 Ų | 100.667 | 128 Ų | 128 | 61% | 0.61 | 68% | 0.684 | S | S | * | * | trans | -107.7 | 121 | 172.3 | 178.8 | 0 | 0 | 0 | 0 | 108.9 | M2184 R2188 A2204 N2208 | M2184-V2206 VanDerWaalsContact CE-O 3.27Å; M2184-V2206 WeakPolarHBondContact CE-O 3.11Å; M2184-V2206 VanDerWaalsContact SD-O 3.36Å; R2188-V2206 HydrophobicContact CB-CG2 4.43Å; A2204-V2206 PolarHBondContact O-N 2.86Å; A2204-V2206 VanDerWaalsContact O-N 3.15Å; V2206-N2208 PolarHBondContact O-N 3.33Å | ||
| 2207 | S | 46.6 | Very low | 43.2 | Very low | 100.333 Ų | 100.333 | 127.3 Ų | 127.3 | 70% | 0.702 | 68% | 0.678 | S | S | * | * | trans | -69.4 | 119.7 | 173 | 53.9 | 0 | 0 | 0 | 0 | 110.3 | P2209 | S2207-P2209 VanDerWaalsContact O-CD 3.31Å; S2207-P2209 WeakPolarHBondContact O-CD 3.28Å | ||
| 2208 | N | 39.7 | Very low | 44.4 | Very low | 76 Ų | 76 | 125.9 Ų | 125.9 | 41% | 0.406 | 67% | 0.669 | S | S | . | * | trans | -73.1 | 121.7 | -178 | -162 | -14.8 | 0 | 0 | 0 | 111 | T2183 M2184 W2186 V2206 I2210 R2211 | T2183-N2208 PolarHBondContact O-ND2 3.43Å; M2184-N2208 HydrophobicContact SD-CB 3.95Å; M2184-N2208 PolarHBondContact SD-N 2.74Å; W2186-N2208 HydrophobicContact CD2-CB 3.86Å; W2186-N2208 VanDerWaalsContact CE2-ND2 3.35Å; W2186-N2208 HydrophobicContact CE3-CB 3.58Å; W2186-N2208 HydrophobicContact CH2-CB 3.43Å; W2186-N2208 VanDerWaalsContact CH2-CB 3.43Å; W2186-N2208 HydrophobicContact CZ2-CB 3.71Å; W2186-N2208 WeakPolarHBondContact CZ2-ND2 3.42Å; W2186-N2208 HydrophobicContact CZ3-CB 3.37Å; V2206-N2208 PolarHBondContact O-N 3.33Å; N2208-I2210 PolarHBondContact O-N 3.4Å; N2208-I2210 WeakPolarHBondContact OD1-CG1 3.49Å; N2208-R2211 PolarHBondContact O-N 3.43Å; N2208-R2211 VanDerWaalsContact O-N 3.16Å | ||
| 2209 | P | 42.7 | Very low | 45.5 | Very low | 106 Ų | 106 | 120.3 Ų | 120.3 | 69% | 0.688 | 64% | 0.643 | S | S | * | * | trans | -86.9 | 41.7 | -171.6 | 32.8 | -33.1 | 0 | 0 | 0 | 113.1 | S2207 R2211 | S2207-P2209 VanDerWaalsContact O-CD 3.31Å; S2207-P2209 WeakPolarHBondContact O-CD 3.28Å; P2209-R2211 VanDerWaalsContact C-N 3.35Å | ||
| 2210 | I | 43.1 | Very low | 46.8 | Very low | 125.667 Ų | 125.667 | 120.8 Ų | 120.8 | 64% | 0.644 | 63% | 0.634 | S | S | * | * | trans | -111.3 | 65.4 | 172.8 | -55.9 | 179.4 | 0 | 0 | 0 | 110.2 | N2208 H2212 H2213 Y2214 | N2208-I2210 PolarHBondContact O-N 3.4Å; N2208-I2210 WeakPolarHBondContact OD1-CG1 3.49Å; I2210-H2212 PolarHBondContact O-N 3.44Å; I2210-H2213 PolarHBondContact O-N 2.98Å; I2210-H2213 VanDerWaalsContact O-N 3.16Å; I2210-Y2214 HydrophobicContact CG2-CD2 4.2Å; I2210-Y2214 HydrophobicContact CG2-CE2 3.67Å; I2210-Y2214 WeakPolarHBondContact O-CD2 3.43Å | ||
| 2211 | R | 41.5 | Very low | 48.1 | Very low | 190 Ų | 190 | 124.9 Ų | 124.9 | 72% | 0.717 | 63% | 0.63 | S | S | * | * | trans | -46.1 | 103.8 | 153.9 | -111.9 | 173 | -129.7 | -137.4 | 3 | 112.7 | N2208 P2209 | N2208-R2211 PolarHBondContact O-N 3.43Å; N2208-R2211 VanDerWaalsContact O-N 3.16Å; P2209-R2211 VanDerWaalsContact C-N 3.35Å | ||
| 2212 | H | 42.2 | Very low | 49.5 | Very low | 166.667 Ų | 166.667 | 123.7 Ų | 123.7 | 77% | 0.772 | 62% | 0.617 | S | S | * | * | trans | 41.4 | 45.9 | 133 | -79.7 | -63.3 | 0 | 0 | 0 | 116.4 | I2210 | I2210-H2212 PolarHBondContact O-N 3.44Š| ||
| 2213 | H | 44 | Very low | 50.7 | Low | 166.333 Ų | 166.333 | 118.6 Ų | 118.6 | 77% | 0.77 | 60% | 0.598 | S | S | * | * | trans | -146.4 | 88 | 144.5 | -97.9 | -73.7 | 0 | 0 | 0 | 109.3 | I2210 | I2210-H2213 PolarHBondContact O-N 2.98Å; I2210-H2213 VanDerWaalsContact O-N 3.16Å | ||
| 2214 | Y | 43.6 | Very low | 52.2 | Low | 163.333 Ų | 163.333 | 117.6 Ų | 117.6 | 64% | 0.641 | 59% | 0.593 | S | S | * | * | trans | -132.5 | 60.7 | 131.7 | -90.1 | -76.1 | 0 | 0 | 0 | 112.7 | I2210 S2216 S2219 R2223 N2919 | I2210-Y2214 HydrophobicContact CG2-CD2 4.2Å; I2210-Y2214 HydrophobicContact CG2-CE2 3.67Å; I2210-Y2214 WeakPolarHBondContact O-CD2 3.43Å; Y2214-S2216 VanDerWaalsContact C-N 3.32Å; Y2214-S2216 WeakPolarHBondContact CD1-OG 3.3Å; Y2214-S2216 PolarHBondContact O-N 3.13Å; Y2214-S2216 VanDerWaalsContact O-N 3.15Å; Y2214-S2219 PolarHBondContact O-OG 2.98Å; Y2214-S2219 VanDerWaalsContact O-OG 3.13Å; Y2214-R2223 PolarHBondContact O-NH2 3.44Å; Y2214-N2919 PolarHBondContact OH-O 3.49Å | ||
| 2215 | N | 44.8 | Very low | 53.6 | Low | 166.333 Ų | 166.333 | 120.9 Ų | 120.9 | 89% | 0.889 | 60% | 0.595 | S | S | * | * | trans | -87 | 57.7 | 168 | -111.7 | -3.1 | 0 | 0 | 0 | 110.7 | ||||
| 2216 | S | 53.3 | Low | 55.2 | Low | 53.6667 Ų | 53.6667 | 119.4 Ų | 119.4 | 38% | 0.375 | 59% | 0.587 | S | S | . | * | trans | -90.7 | 144.5 | 175.3 | 167.3 | 0 | 0 | 0 | 0 | 111.2 | Y2214 I2218 S2219 R2220 | Y2214-S2216 VanDerWaalsContact C-N 3.32Å; Y2214-S2216 WeakPolarHBondContact CD1-OG 3.3Å; Y2214-S2216 PolarHBondContact O-N 3.13Å; Y2214-S2216 VanDerWaalsContact O-N 3.15Å; S2216-I2218 PolarHBondContact O-N 3.18Å; S2216-I2218 VanDerWaalsContact O-N 3.16Å; S2216-I2218 WeakPolarHBondContact OG-CB 3.47Å; S2216-I2218 WeakPolarHBondContact OG-CG2 3.32Å; S2216-I2218 PolarHBondContact OG-N 3.33Å; S2216-S2219 WeakPolarHBondContact O-CB 3.32Å; S2216-S2219 PolarHBondContact O-N 3.05Å; S2216-R2220 PolarHBondContact O-N 3.12Å | ||
| 2217 | C | 56.7 | Low | 56.8 | Low | 82.6667 Ų | 82.6667 | 117.2 Ų | 117.2 | 56% | 0.559 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -51.3 | -26.1 | 176.6 | -133.5 | 0 | 0 | 0 | 0 | 113.3 | S2219 R2220 W2221 | C2217-S2219 VanDerWaalsContact C-N 3.3Å; C2217-S2219 PolarHBondContact O-N 2.91Å; C2217-R2220 PolarHBondContact O-N 3.3Å; C2217-W2221 PolarHBondContact O-N 3.27Å |
| 2218 | I | 61.3 | Low | 58.5 | Low | 120.667 Ų | 120.667 | 118.1 Ų | 118.1 | 62% | 0.619 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -58.4 | -41.9 | 176.5 | -92.2 | 135.2 | 0 | 0 | 0 | 112.1 | S2216 R2220 W2221 F2222 | S2216-I2218 PolarHBondContact O-N 3.18Å; S2216-I2218 VanDerWaalsContact O-N 3.16Å; S2216-I2218 WeakPolarHBondContact OG-CB 3.47Å; S2216-I2218 WeakPolarHBondContact OG-CG2 3.32Å; S2216-I2218 PolarHBondContact OG-N 3.33Å; I2218-R2220 VanDerWaalsContact C-N 3.32Å; I2218-R2220 PolarHBondContact O-N 3.49Å; I2218-W2221 PolarHBondContact O-N 3.07Å; I2218-F2222 HydrophobicContact CG1-CD2 4.22Å; I2218-F2222 HydrophobicContact CG1-CE2 3.97Å; I2218-F2222 HydrophobicContact CG2-CD2 3.61Å; I2218-F2222 HydrophobicContact CG2-CE2 3.81Å; I2218-F2222 VanDerWaalsContact O-CB 3.31Å; I2218-F2222 WeakPolarHBondContact O-CB 3.3Å; I2218-F2222 VanDerWaalsContact O-CD2 3.23Å; I2218-F2222 WeakPolarHBondContact O-CD2 3.24Å; I2218-F2222 PolarHBondContact O-N 3.07Å |
| 2219 | S | 62.5 | Low | 60.4 | Low | 43 Ų | 43 | 116.1 Ų | 116.1 | 30% | 0.301 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66 | -37.9 | 178.8 | 170.1 | 0 | 0 | 0 | 0 | 111.9 | Y2214 S2216 C2217 F2222 R2223 | Y2214-S2219 PolarHBondContact O-OG 2.98Å; Y2214-S2219 VanDerWaalsContact O-OG 3.13Å; S2216-S2219 WeakPolarHBondContact O-CB 3.32Å; S2216-S2219 PolarHBondContact O-N 3.05Å; C2217-S2219 VanDerWaalsContact C-N 3.3Å; C2217-S2219 PolarHBondContact O-N 2.91Å; S2219-F2222 PolarHBondContact O-N 2.83Å; S2219-R2223 WeakPolarHBondContact O-CG 3.46Å; S2219-R2223 PolarHBondContact O-N 3.17Å; S2219-R2223 PolarHBondContact OG-NH2 3.14Å |
| 2220 | R | 63.4 | Low | 62.3 | Low | 173.667 Ų | 173.667 | 115 Ų | 115 | 66% | 0.655 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -69.3 | -42.4 | 176.1 | -165.7 | 176.7 | 74.3 | 171.2 | 3.3 | 111.7 | S2216 C2217 I2218 F2222 R2223 V2224 | S2216-R2220 PolarHBondContact O-N 3.12Å; C2217-R2220 PolarHBondContact O-N 3.3Å; I2218-R2220 VanDerWaalsContact C-N 3.32Å; I2218-R2220 PolarHBondContact O-N 3.49Å; R2220-F2222 VanDerWaalsContact C-N 3.34Å; R2220-R2223 PolarHBondContact O-N 3.1Å; R2220-V2224 WeakPolarHBondContact O-CG2 3.35Å; R2220-V2224 PolarHBondContact O-N 3.2Å |
| 2221 | W | 68.9 | Low | 64 | Low | 146 Ų | 146 | 112.8 Ų | 112.8 | 55% | 0.553 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.5 | -37.6 | 174.6 | -90.3 | 96.3 | 0 | 0 | 0 | 112.3 | C2217 I2218 R2223 V2224 F2225 | C2217-W2221 PolarHBondContact O-N 3.27Å; I2218-W2221 PolarHBondContact O-N 3.07Å; W2221-R2223 VanDerWaalsContact C-N 3.33Å; W2221-R2223 PolarHBondContact O-N 2.98Å; W2221-V2224 CarbonylContact O-C 3.56Å; W2221-V2224 PolarHBondContact O-N 2.87Å; W2221-V2224 VanDerWaalsContact O-N 3.15Å; W2221-F2225 HydrophobicContact CB-CD2 4.36Å; W2221-F2225 HydrophobicContact CB-CE2 4.31Å; W2221-F2225 HydrophobicContact CD2-CE2 4.44Å; W2221-F2225 AromaticContact CE3-CD2 3.76Å; W2221-F2225 HydrophobicContact CE3-CD2 3.97Å; W2221-F2225 AromaticContact CE3-CE2 3.5Å; W2221-F2225 HydrophobicContact CE3-CE2 3.5Å; W2221-F2225 AromaticContact CE3-CZ 3.95Å; W2221-F2225 HydrophobicContact CE3-CZ 3.99Å; W2221-F2225 HydrophobicContact CZ3-CD2 4.19Å; W2221-F2225 AromaticContact CZ3-CE2 3.67Å; W2221-F2225 HydrophobicContact CZ3-CE2 3.92Å; W2221-F2225 VanDerWaalsContact CZ3-CE2 3.43Å; W2221-F2225 AromaticContact CZ3-CZ 3.67Å; W2221-F2225 HydrophobicContact CZ3-CZ 4Å; W2221-F2225 WeakPolarHBondContact O-CB 3.09Å; W2221-F2225 WeakPolarHBondContact O-CD2 3.45Å; W2221-F2225 PolarHBondContact O-N 3.42Å |
| 2222 | F | 69.6 | Low | 65.9 | Low | 123.667 Ų | 123.667 | 107.6 Ų | 107.6 | 54% | 0.542 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62 | -40.8 | 173.5 | -120.4 | -78.4 | 0 | 0 | 0 | 112.1 | I2218 S2219 R2220 V2224 F2225 L2226 L2920 | I2218-F2222 HydrophobicContact CG1-CD2 4.22Å; I2218-F2222 HydrophobicContact CG1-CE2 3.97Å; I2218-F2222 HydrophobicContact CG2-CD2 3.61Å; I2218-F2222 HydrophobicContact CG2-CE2 3.81Å; I2218-F2222 VanDerWaalsContact O-CB 3.31Å; I2218-F2222 WeakPolarHBondContact O-CB 3.3Å; I2218-F2222 VanDerWaalsContact O-CD2 3.23Å; I2218-F2222 WeakPolarHBondContact O-CD2 3.24Å; I2218-F2222 PolarHBondContact O-N 3.07Å; S2219-F2222 PolarHBondContact O-N 2.83Å; R2220-F2222 VanDerWaalsContact C-N 3.34Å; F2222-V2224 VanDerWaalsContact C-N 3.32Å; F2222-V2224 PolarHBondContact O-N 2.83Å; F2222-F2225 PolarHBondContact O-N 3.2Å; F2222-L2226 HydrophobicContact CE1-CD1 3.94Å; F2222-L2226 VanDerWaalsContact O-CB 3.31Å; F2222-L2226 WeakPolarHBondContact O-CB 3.32Å; F2222-L2226 WeakPolarHBondContact O-CG 3.34Å; F2222-L2226 PolarHBondContact O-N 2.96Å; F2222-L2920 HydrophobicContact CD1-CD2 4.49Å; F2222-L2920 HydrophobicContact CE1-CB 4.44Å; F2222-L2920 HydrophobicContact CE1-CD1 4.49Å; F2222-L2920 HydrophobicContact CE1-CD2 3.76Å; F2222-L2920 HydrophobicContact CE1-CG 4.45Å; F2222-L2920 HydrophobicContact CZ-CD2 4.19Å |
| 2223 | R | 67.5 | Low | 67.7 | Low | 116 Ų | 116 | 105.1 Ų | 105.1 | 44% | 0.438 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 173.5 | -72.3 | -175.1 | -133.8 | -144.8 | 3 | 112.6 | Y2214 S2219 R2220 W2221 L2226 L2227 | Y2214-R2223 PolarHBondContact O-NH2 3.44Å; S2219-R2223 WeakPolarHBondContact O-CG 3.46Å; S2219-R2223 PolarHBondContact O-N 3.17Å; S2219-R2223 PolarHBondContact OG-NH2 3.14Å; R2220-R2223 PolarHBondContact O-N 3.1Å; W2221-R2223 VanDerWaalsContact C-N 3.33Å; W2221-R2223 PolarHBondContact O-N 2.98Å; R2223-L2226 PolarHBondContact O-N 3.37Å; R2223-L2227 VanDerWaalsContact O-CB 3.26Å; R2223-L2227 WeakPolarHBondContact O-CB 3.16Å; R2223-L2227 PolarHBondContact O-N 3.15Å; R2223-L2227 VanDerWaalsContact O-N 3.1Å |
| 2224 | V | 74.1 | Confident | 69.4 | Low | 72 Ų | 72 | 100.1 Ų | 100.1 | 44% | 0.436 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.3 | -39.9 | 176.5 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | R2220 W2221 F2222 L2227 M2228 | R2220-V2224 WeakPolarHBondContact O-CG2 3.35Å; R2220-V2224 PolarHBondContact O-N 3.2Å; W2221-V2224 CarbonylContact O-C 3.56Å; W2221-V2224 PolarHBondContact O-N 2.87Å; W2221-V2224 VanDerWaalsContact O-N 3.15Å; F2222-V2224 VanDerWaalsContact C-N 3.32Å; F2222-V2224 PolarHBondContact O-N 2.83Å; V2224-L2227 PolarHBondContact O-N 3.02Å; V2224-M2228 HydrophobicContact CG1-CG 4.31Å; V2224-M2228 VanDerWaalsContact O-CB 3.29Å; V2224-M2228 WeakPolarHBondContact O-CB 3.39Å; V2224-M2228 WeakPolarHBondContact O-CG 3.46Å; V2224-M2228 PolarHBondContact O-N 3.31Å |
| 2225 | F | 76 | Confident | 71.1 | Confident | 134.333 Ų | 134.333 | 95 Ų | 95 | 59% | 0.589 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.3 | -37.7 | 174.4 | -88.3 | -66.8 | 0 | 0 | 0 | 112.4 | W2221 F2222 M2228 G2229 | W2221-F2225 HydrophobicContact CB-CD2 4.36Å; W2221-F2225 HydrophobicContact CB-CE2 4.31Å; W2221-F2225 HydrophobicContact CD2-CE2 4.44Å; W2221-F2225 AromaticContact CE3-CD2 3.76Å; W2221-F2225 HydrophobicContact CE3-CD2 3.97Å; W2221-F2225 AromaticContact CE3-CE2 3.5Å; W2221-F2225 HydrophobicContact CE3-CE2 3.5Å; W2221-F2225 AromaticContact CE3-CZ 3.95Å; W2221-F2225 HydrophobicContact CE3-CZ 3.99Å; W2221-F2225 HydrophobicContact CZ3-CD2 4.19Å; W2221-F2225 AromaticContact CZ3-CE2 3.67Å; W2221-F2225 HydrophobicContact CZ3-CE2 3.92Å; W2221-F2225 VanDerWaalsContact CZ3-CE2 3.43Å; W2221-F2225 AromaticContact CZ3-CZ 3.67Å; W2221-F2225 HydrophobicContact CZ3-CZ 4Å; W2221-F2225 WeakPolarHBondContact O-CB 3.09Å; W2221-F2225 WeakPolarHBondContact O-CD2 3.45Å; W2221-F2225 PolarHBondContact O-N 3.42Å; F2222-F2225 PolarHBondContact O-N 3.2Å; F2225-M2228 PolarHBondContact O-N 2.96Å; F2225-G2229 WeakPolarHBondContact O-CA 3.35Å; F2225-G2229 PolarHBondContact O-N 3Å |
| 2226 | L | 74.9 | Confident | 72.7 | Confident | 80.3333 Ų | 80.3333 | 90 Ų | 90 | 42% | 0.421 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.2 | -43.7 | 172.8 | -111.5 | 163.4 | 0 | 0 | 0 | 111 | F2173 F2222 R2223 M2228 G2229 Y2230 I2612 L2915 | F2173-L2226 HydrophobicContact CD2-CD1 4.09Å; F2173-L2226 HydrophobicContact CE2-CD1 3.85Å; F2222-L2226 HydrophobicContact CE1-CD1 3.94Å; F2222-L2226 VanDerWaalsContact O-CB 3.31Å; F2222-L2226 WeakPolarHBondContact O-CB 3.32Å; F2222-L2226 WeakPolarHBondContact O-CG 3.34Å; F2222-L2226 PolarHBondContact O-N 2.96Å; R2223-L2226 PolarHBondContact O-N 3.37Å; L2226-M2228 VanDerWaalsContact C-N 3.34Å; L2226-M2228 PolarHBondContact O-N 3.27Å; L2226-G2229 PolarHBondContact O-N 2.87Å; L2226-Y2230 WeakPolarHBondContact O-CA 3.21Å; L2226-Y2230 VanDerWaalsContact O-CB 3.23Å; L2226-Y2230 WeakPolarHBondContact O-CB 3.17Å; L2226-Y2230 PolarHBondContact O-N 3.12Å; L2226-I2612 HydrophobicContact CD2-CD1 4.3Å; L2226-I2612 HydrophobicContact CD2-CG2 4.05Å; L2226-L2915 HydrophobicContact CD1-CD1 4.47Å; L2226-L2915 HydrophobicContact CD1-CD2 3.99Å |
| 2227 | L | 77.4 | Confident | 74 | Confident | 54 Ų | 54 | 92.3 Ų | 92.3 | 28% | 0.283 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 175.5 | -156.3 | 100 | 0 | 0 | 0 | 111.6 | R2223 V2224 G2229 Y2230 L2231 A2609 L2613 | R2223-L2227 VanDerWaalsContact O-CB 3.26Å; R2223-L2227 WeakPolarHBondContact O-CB 3.16Å; R2223-L2227 PolarHBondContact O-N 3.15Å; R2223-L2227 VanDerWaalsContact O-N 3.1Å; V2224-L2227 PolarHBondContact O-N 3.02Å; L2227-G2229 PolarHBondContact O-N 3.26Å; L2227-Y2230 PolarHBondContact O-N 3.29Å; L2227-L2231 HydrophobicContact CD1-CD1 4.37Å; L2227-L2231 HydrophobicContact CD1-CG 4.37Å; L2227-L2231 HydrophobicContact CD2-CD1 4.38Å; L2227-L2231 HydrophobicContact CG-CD1 4.02Å; L2227-L2231 HydrophobicContact CG-CG 4.26Å; L2227-L2231 WeakPolarHBondContact O-CB 3.17Å; L2227-L2231 VanDerWaalsContact O-CG 3.25Å; L2227-L2231 WeakPolarHBondContact O-CG 3.29Å; L2227-L2231 PolarHBondContact O-N 3.15Å; L2227-A2609 HydrophobicContact CD1-CB 3.72Å; L2227-L2613 HydrophobicContact CD1-CD1 4.36Å; L2227-L2613 HydrophobicContact CD2-CD1 3.59Å; L2227-L2613 HydrophobicContact CG-CD1 4.42Å |
| 2228 | M | 80.2 | Confident | 75.1 | Confident | 120 Ų | 120 | 90.3 Ų | 90.3 | 59% | 0.591 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -69.2 | -39.7 | 178.9 | -138.5 | 31.3 | 153.1 | 0 | 0 | 111.8 | V2224 F2225 L2226 L2231 C2232 | V2224-M2228 HydrophobicContact CG1-CG 4.31Å; V2224-M2228 VanDerWaalsContact O-CB 3.29Å; V2224-M2228 WeakPolarHBondContact O-CB 3.39Å; V2224-M2228 WeakPolarHBondContact O-CG 3.46Å; V2224-M2228 PolarHBondContact O-N 3.31Å; F2225-M2228 PolarHBondContact O-N 2.96Å; L2226-M2228 VanDerWaalsContact C-N 3.34Å; L2226-M2228 PolarHBondContact O-N 3.27Å; M2228-L2231 PolarHBondContact O-N 3.15Å; M2228-C2232 WeakPolarHBondContact O-CB 3.06Å; M2228-C2232 PolarHBondContact O-N 3.05Å |
| 2229 | G | 80.2 | Confident | 75.7 | Confident | 33.3333 Ų | 33.3333 | 91.9 Ų | 91.9 | 34% | 0.344 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | F2225 L2226 L2227 C2232 L2233 | F2225-G2229 WeakPolarHBondContact O-CA 3.35Å; F2225-G2229 PolarHBondContact O-N 3Å; L2226-G2229 PolarHBondContact O-N 2.87Å; L2227-G2229 PolarHBondContact O-N 3.26Å; G2229-C2232 PolarHBondContact O-N 3.17Å; G2229-L2233 WeakPolarHBondContact O-CB 3.24Å; G2229-L2233 WeakPolarHBondContact O-CG 3.47Å; G2229-L2233 PolarHBondContact O-N 3.12Å |
| 2230 | Y | 82.3 | Confident | 76.3 | Confident | 83.3333 Ų | 83.3333 | 92.1 Ų | 92.1 | 33% | 0.327 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.2 | -47.3 | 175 | 176.5 | -103.9 | 0 | 0 | 0 | 112 | L2226 L2227 C2232 L2233 K2234 T2608 I2612 | L2226-Y2230 WeakPolarHBondContact O-CA 3.21Å; L2226-Y2230 VanDerWaalsContact O-CB 3.23Å; L2226-Y2230 WeakPolarHBondContact O-CB 3.17Å; L2226-Y2230 PolarHBondContact O-N 3.12Å; L2227-Y2230 PolarHBondContact O-N 3.29Å; Y2230-C2232 VanDerWaalsContact C-N 3.33Å; Y2230-C2232 PolarHBondContact O-N 3.17Å; Y2230-L2233 PolarHBondContact O-N 2.87Å; Y2230-K2234 HydrophobicContact CE1-CD 4.12Å; Y2230-K2234 HydrophobicContact CE2-CB 4.43Å; Y2230-K2234 HydrophobicContact CE2-CD 4.14Å; Y2230-K2234 HydrophobicContact CE2-CG 4.5Å; Y2230-K2234 WeakPolarHBondContact O-CA 3.27Å; Y2230-K2234 WeakPolarHBondContact O-CB 3.31Å; Y2230-K2234 PolarHBondContact O-N 3.03Å; Y2230-K2234 PolarHBondContact OH-NZ 3.27Å; Y2230-T2608 HydrophobicContact CE1-CG2 4.49Å; Y2230-I2612 HydrophobicContact CD1-CD1 3.91Å; Y2230-I2612 HydrophobicContact CE1-CD1 4.34Å; Y2230-I2612 HydrophobicContact CG-CD1 4.04Å |
| 2231 | L | 79.4 | Confident | 76.9 | Confident | 80.3333 Ų | 80.3333 | 86.2 Ų | 86.2 | 42% | 0.421 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 177.1 | -75.7 | 170.3 | 0 | 0 | 0 | 111.7 | L2227 M2228 K2234 S2235 | L2227-L2231 HydrophobicContact CD1-CD1 4.37Å; L2227-L2231 HydrophobicContact CD1-CG 4.37Å; L2227-L2231 HydrophobicContact CD2-CD1 4.38Å; L2227-L2231 HydrophobicContact CG-CD1 4.02Å; L2227-L2231 HydrophobicContact CG-CG 4.26Å; L2227-L2231 WeakPolarHBondContact O-CB 3.17Å; L2227-L2231 VanDerWaalsContact O-CG 3.25Å; L2227-L2231 WeakPolarHBondContact O-CG 3.29Å; L2227-L2231 PolarHBondContact O-N 3.15Å; M2228-L2231 PolarHBondContact O-N 3.15Å; L2231-K2234 PolarHBondContact O-N 3.03Å; L2231-S2235 WeakPolarHBondContact O-CB 3.13Å; L2231-S2235 PolarHBondContact O-N 3.25Å; L2231-S2235 PolarHBondContact O-OG 3.2Å; L2231-S2235 VanDerWaalsContact O-OG 3.09Å |
| 2232 | C | 81.1 | Confident | 77.5 | Confident | 79.6667 Ų | 79.6667 | 81.6 Ų | 81.6 | 54% | 0.538 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.1 | -50.3 | 176.4 | -145.3 | 0 | 0 | 0 | 0 | 111.9 | M2228 G2229 Y2230 K2234 S2235 A2236 | M2228-C2232 WeakPolarHBondContact O-CB 3.06Å; M2228-C2232 PolarHBondContact O-N 3.05Å; G2229-C2232 PolarHBondContact O-N 3.17Å; Y2230-C2232 VanDerWaalsContact C-N 3.33Å; Y2230-C2232 PolarHBondContact O-N 3.17Å; C2232-K2234 VanDerWaalsContact C-N 3.3Å; C2232-K2234 PolarHBondContact O-N 3.03Å; C2232-S2235 WeakPolarHBondContact CA-OG 3.36Å; C2232-S2235 PolarHBondContact O-N 3.09Å; C2232-S2235 PolarHBondContact O-OG 3.07Å; C2232-A2236 WeakPolarHBondContact O-CB 3.2Å; C2232-A2236 PolarHBondContact O-N 3.18Å |
| 2233 | L | 80.7 | Confident | 77.7 | Confident | 113.667 Ų | 113.667 | 78.7 Ų | 78.7 | 60% | 0.595 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -61 | -40.2 | 176.7 | -99.2 | 145.2 | 0 | 0 | 0 | 111.7 | L2166 G2229 Y2230 A2236 Y2237 W2904 | L2166-L2233 HydrophobicContact CD1-CD2 4.32Å; G2229-L2233 WeakPolarHBondContact O-CB 3.24Å; G2229-L2233 WeakPolarHBondContact O-CG 3.47Å; G2229-L2233 PolarHBondContact O-N 3.12Å; Y2230-L2233 PolarHBondContact O-N 2.87Å; L2233-A2236 PolarHBondContact O-N 2.87Å; L2233-Y2237 VanDerWaalsContact O-CB 3.23Å; L2233-Y2237 WeakPolarHBondContact O-CB 3.4Å; L2233-Y2237 PolarHBondContact O-N 3.27Å; L2233-W2904 HydrophobicContact CD2-CH2 4.16Å |
| 2234 | K | 79.2 | Confident | 78.3 | Confident | 62.6667 Ų | 62.6667 | 75.2 Ų | 75.2 | 27% | 0.272 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -71.3 | -35.9 | 179.1 | -162.4 | 131.5 | 175.3 | 178.9 | 0 | 111.7 | Y2230 L2231 C2232 Y2237 T2238 T2605 | Y2230-K2234 HydrophobicContact CE1-CD 4.12Å; Y2230-K2234 HydrophobicContact CE2-CB 4.43Å; Y2230-K2234 HydrophobicContact CE2-CD 4.14Å; Y2230-K2234 HydrophobicContact CE2-CG 4.5Å; Y2230-K2234 WeakPolarHBondContact O-CA 3.27Å; Y2230-K2234 WeakPolarHBondContact O-CB 3.31Å; Y2230-K2234 PolarHBondContact O-N 3.03Å; Y2230-K2234 PolarHBondContact OH-NZ 3.27Å; L2231-K2234 PolarHBondContact O-N 3.03Å; C2232-K2234 VanDerWaalsContact C-N 3.3Å; C2232-K2234 PolarHBondContact O-N 3.03Å; K2234-Y2237 HydrophobicContact CD-CD1 4.41Å; K2234-Y2237 PolarHBondContact O-N 3.21Å; K2234-T2238 VanDerWaalsContact O-CG2 3.3Å; K2234-T2238 WeakPolarHBondContact O-CG2 3.32Å; K2234-T2238 PolarHBondContact O-N 3Å; K2234-T2238 PolarHBondContact O-OG1 3.37Å; K2234-T2605 HydrophobicContact CD-CG2 4.14Å; K2234-T2605 HydrophobicContact CG-CG2 3.37Å |
| 2235 | S | 79 | Confident | 78.4 | Confident | 56 Ų | 56 | 73.3 Ų | 73.3 | 39% | 0.392 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 171.9 | 70.9 | 0 | 0 | 0 | 0 | 111.6 | L2231 C2232 Y2237 T2238 F2239 | L2231-S2235 WeakPolarHBondContact O-CB 3.13Å; L2231-S2235 PolarHBondContact O-N 3.25Å; L2231-S2235 PolarHBondContact O-OG 3.2Å; L2231-S2235 VanDerWaalsContact O-OG 3.09Å; C2232-S2235 WeakPolarHBondContact CA-OG 3.36Å; C2232-S2235 PolarHBondContact O-N 3.09Å; C2232-S2235 PolarHBondContact O-OG 3.07Å; S2235-Y2237 VanDerWaalsContact C-N 3.31Å; S2235-Y2237 PolarHBondContact O-N 3.06Å; S2235-T2238 VanDerWaalsContact CA-OG1 3.29Å; S2235-T2238 WeakPolarHBondContact CA-OG1 3.45Å; S2235-T2238 PolarHBondContact O-N 3.04Å; S2235-T2238 VanDerWaalsContact O-N 3.1Å; S2235-T2238 PolarHBondContact O-OG1 2.98Å; S2235-F2239 WeakPolarHBondContact O-CD2 3.24Å; S2235-F2239 PolarHBondContact O-N 2.84Å |
| 2236 | A | 79.7 | Confident | 78.4 | Confident | 61.3333 Ų | 61.3333 | 70.2 Ų | 70.2 | 51% | 0.507 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | C2232 L2233 F2239 G2240 | C2232-A2236 WeakPolarHBondContact O-CB 3.2Å; C2232-A2236 PolarHBondContact O-N 3.18Å; L2233-A2236 PolarHBondContact O-N 2.87Å; A2236-F2239 PolarHBondContact O-N 3.16Å; A2236-G2240 WeakPolarHBondContact O-CA 3.46Å; A2236-G2240 PolarHBondContact O-N 3.29Å |
| 2237 | Y | 80.7 | Confident | 78.3 | Confident | 101.333 Ų | 101.333 | 67.5 Ų | 67.5 | 40% | 0.397 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.9 | -41.2 | 174.1 | 179 | -102.9 | 0 | 0 | 0 | 112.5 | L2233 K2234 S2235 F2239 G2240 V2241 R2601 W2904 | L2233-Y2237 VanDerWaalsContact O-CB 3.23Å; L2233-Y2237 WeakPolarHBondContact O-CB 3.4Å; L2233-Y2237 PolarHBondContact O-N 3.27Å; K2234-Y2237 HydrophobicContact CD-CD1 4.41Å; K2234-Y2237 PolarHBondContact O-N 3.21Å; S2235-Y2237 VanDerWaalsContact C-N 3.31Å; S2235-Y2237 PolarHBondContact O-N 3.06Å; Y2237-F2239 VanDerWaalsContact C-N 3.33Å; Y2237-F2239 PolarHBondContact O-N 3.22Å; Y2237-G2240 PolarHBondContact O-N 3.48Å; Y2237-V2241 HydrophobicContact CD1-CG2 4.41Å; Y2237-V2241 HydrophobicContact CD2-CB 4.32Å; Y2237-V2241 HydrophobicContact CD2-CG2 3.71Å; Y2237-V2241 HydrophobicContact CE1-CG2 4.01Å; Y2237-V2241 HydrophobicContact CE2-CB 4.19Å; Y2237-V2241 HydrophobicContact CE2-CG1 4.33Å; Y2237-V2241 HydrophobicContact CE2-CG2 3.9Å; Y2237-V2241 HydrophobicContact CG-CG2 4.46Å; Y2237-V2241 WeakPolarHBondContact O-CB 3.45Å; Y2237-V2241 WeakPolarHBondContact O-CG2 3.5Å; Y2237-V2241 PolarHBondContact O-N 3.13Å; Y2237-R2601 PolarHBondContact OH-NH2 3.4Å; Y2237-W2904 AromaticContact CD1-NE1 3.91Å; Y2237-W2904 HydrophobicContact CD2-CB 4.34Å; Y2237-W2904 AromaticContact CD2-CD1 3.41Å; Y2237-W2904 VanDerWaalsContact CD2-CD1 3.41Å; Y2237-W2904 AromaticContact CD2-CD2 3.67Å; Y2237-W2904 HydrophobicContact CD2-CD2 3.67Å; Y2237-W2904 AromaticContact CD2-CE2 3.59Å; Y2237-W2904 HydrophobicContact CD2-CE3 4.47Å; Y2237-W2904 AromaticContact CD2-CG 3.55Å; Y2237-W2904 HydrophobicContact CD2-CG 3.55Å; Y2237-W2904 HydrophobicContact CD2-CZ2 4.31Å; Y2237-W2904 AromaticContact CD2-NE1 3.41Å; Y2237-W2904 HydrophobicContact CE2-CB 3.85Å; Y2237-W2904 AromaticContact CE2-CD1 3.24Å; Y2237-W2904 HydrophobicContact CE2-CD2 4.07Å; Y2237-W2904 AromaticContact CE2-CG 3.43Å; Y2237-W2904 HydrophobicContact CE2-CG 3.43Å; Y2237-W2904 VanDerWaalsContact CE2-CG 3.43Å; Y2237-W2904 AromaticContact CE2-NE1 3.75Å; Y2237-W2904 AromaticContact CG-CD1 3.92Å; Y2237-W2904 HydrophobicContact CG-CD2 4.35Å; Y2237-W2904 AromaticContact CG-CE2 3.8Å; Y2237-W2904 HydrophobicContact CG-CG 4.41Å; Y2237-W2904 HydrophobicContact CG-CZ2 4.25Å; Y2237-W2904 AromaticContact CG-NE1 3.5Å; Y2237-W2904 AromaticContact CZ-CD1 3.62Å |
| 2238 | T | 78.8 | Confident | 78.2 | Confident | 41.3333 Ų | 41.3333 | 70 Ų | 70 | 25% | 0.254 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.1 | -38.5 | 178 | 52.5 | 0 | 0 | 0 | 0 | 112.6 | K2234 S2235 V2241 T2242 R2601 | K2234-T2238 VanDerWaalsContact O-CG2 3.3Å; K2234-T2238 WeakPolarHBondContact O-CG2 3.32Å; K2234-T2238 PolarHBondContact O-N 3Å; K2234-T2238 PolarHBondContact O-OG1 3.37Å; S2235-T2238 VanDerWaalsContact CA-OG1 3.29Å; S2235-T2238 WeakPolarHBondContact CA-OG1 3.45Å; S2235-T2238 PolarHBondContact O-N 3.04Å; S2235-T2238 VanDerWaalsContact O-N 3.1Å; S2235-T2238 PolarHBondContact O-OG1 2.98Å; T2238-V2241 PolarHBondContact O-N 3.31Å; T2238-T2242 VanDerWaalsContact O-CG2 3.28Å; T2238-T2242 WeakPolarHBondContact O-CG2 3.43Å; T2238-T2242 PolarHBondContact O-N 3.35Å; T2238-T2242 PolarHBondContact O-OG1 3.48Å; T2238-R2601 HydrophobicContact CG2-CB 4.17Å; T2238-R2601 PolarHBondContact O-NH1 3.14Å |
| 2239 | F | 74.2 | Confident | 78 | Confident | 153.333 Ų | 153.333 | 69 Ų | 69 | 67% | 0.673 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -79.1 | -38 | 178.1 | -103.9 | -79.5 | 0 | 0 | 0 | 112.8 | S2235 A2236 Y2237 V2241 T2242 L2243 | S2235-F2239 WeakPolarHBondContact O-CD2 3.24Å; S2235-F2239 PolarHBondContact O-N 2.84Å; A2236-F2239 PolarHBondContact O-N 3.16Å; Y2237-F2239 VanDerWaalsContact C-N 3.33Å; Y2237-F2239 PolarHBondContact O-N 3.22Å; F2239-V2241 PolarHBondContact O-N 3.39Å; F2239-T2242 WeakPolarHBondContact CA-OG1 3.49Å; F2239-T2242 PolarHBondContact O-N 2.96Å; F2239-T2242 PolarHBondContact O-OG1 3.14Å; F2239-L2243 HydrophobicContact CE1-CD1 3.98Å; F2239-L2243 HydrophobicContact CZ-CD1 4.31Å; F2239-L2243 WeakPolarHBondContact O-CB 3.44Å; F2239-L2243 PolarHBondContact O-N 3.09Å |
| 2240 | G | 74.8 | Confident | 77.7 | Confident | 47.6667 Ų | 47.6667 | 69.8 Ų | 69.8 | 49% | 0.491 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -74.3 | -27.7 | -180 | 0 | 0 | 0 | 0 | 0 | 114.1 | A2236 Y2237 L2243 T2244 | A2236-G2240 WeakPolarHBondContact O-CA 3.46Å; A2236-G2240 PolarHBondContact O-N 3.29Å; Y2237-G2240 PolarHBondContact O-N 3.48Å; G2240-L2243 PolarHBondContact O-N 3.42Å; G2240-T2244 WeakPolarHBondContact O-CG2 2.91Å; G2240-T2244 PolarHBondContact O-N 2.77Å; G2240-T2244 PolarHBondContact O-OG1 2.9Å; G2240-T2244 VanDerWaalsContact O-OG1 3.12Å |
| 2241 | V | 76.8 | Confident | 77.1 | Confident | 50.6667 Ų | 50.6667 | 72.9 Ų | 72.9 | 31% | 0.307 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -102.2 | 47.8 | 178.3 | -176.9 | 0 | 0 | 0 | 0 | 110 | Y2237 T2238 F2239 L2243 T2244 A2245 W2597 R2601 Y2897 I2901 | Y2237-V2241 HydrophobicContact CD1-CG2 4.41Å; Y2237-V2241 HydrophobicContact CD2-CB 4.32Å; Y2237-V2241 HydrophobicContact CD2-CG2 3.71Å; Y2237-V2241 HydrophobicContact CE1-CG2 4.01Å; Y2237-V2241 HydrophobicContact CE2-CB 4.19Å; Y2237-V2241 HydrophobicContact CE2-CG1 4.33Å; Y2237-V2241 HydrophobicContact CE2-CG2 3.9Å; Y2237-V2241 HydrophobicContact CG-CG2 4.46Å; Y2237-V2241 WeakPolarHBondContact O-CB 3.45Å; Y2237-V2241 WeakPolarHBondContact O-CG2 3.5Å; Y2237-V2241 PolarHBondContact O-N 3.13Å; T2238-V2241 PolarHBondContact O-N 3.31Å; F2239-V2241 PolarHBondContact O-N 3.39Å; V2241-L2243 VanDerWaalsContact C-N 3.35Å; V2241-T2244 WeakPolarHBondContact CA-OG1 3.4Å; V2241-T2244 PolarHBondContact O-OG1 2.89Å; V2241-A2245 WeakPolarHBondContact O-CB 3.36Å; V2241-A2245 PolarHBondContact O-N 3.25Å; V2241-W2597 HydrophobicContact CG1-CH2 4.2Å; V2241-W2597 HydrophobicContact CG1-CZ3 4.36Å; V2241-W2597 WeakPolarHBondContact O-CZ3 3.24Å; V2241-R2601 PolarHBondContact O-NH1 3.42Å; V2241-R2601 PolarHBondContact O-NH2 3.18Å; V2241-Y2897 HydrophobicContact CG1-CE2 3.89Å; V2241-I2901 HydrophobicContact CG1-CD1 3.86Å; V2241-I2901 HydrophobicContact CG1-CG1 3.59Å |
| 2242 | T | 80.4 | Confident | 76.8 | Confident | 48 Ų | 48 | 78.1 Ų | 78.1 | 29% | 0.294 | 42% | 0.417 | S | S | . | . | trans | -97.8 | 161.1 | 172.1 | 64 | 0 | 0 | 0 | 0 | 110.7 | T2238 F2239 T2244 A2245 L2246 D2594 Y2897 | T2238-T2242 VanDerWaalsContact O-CG2 3.28Å; T2238-T2242 WeakPolarHBondContact O-CG2 3.43Å; T2238-T2242 PolarHBondContact O-N 3.35Å; T2238-T2242 PolarHBondContact O-OG1 3.48Å; F2239-T2242 WeakPolarHBondContact CA-OG1 3.49Å; F2239-T2242 PolarHBondContact O-N 2.96Å; F2239-T2242 PolarHBondContact O-OG1 3.14Å; T2242-T2244 VanDerWaalsContact C-N 3.26Å; T2242-T2244 WeakPolarHBondContact CB-OG1 3.44Å; T2242-T2244 PolarHBondContact O-N 2.66Å; T2242-T2244 PolarHBondContact OG1-OG1 3.18Å; T2242-A2245 PolarHBondContact O-N 3.1Å; T2242-A2245 VanDerWaalsContact OG1-CB 3.22Å; T2242-A2245 WeakPolarHBondContact OG1-CB 3.13Å; T2242-A2245 PolarHBondContact OG1-N 3.12Å; T2242-L2246 VanDerWaalsContact O-CB 3.31Å; T2242-L2246 WeakPolarHBondContact O-CB 3.43Å; T2242-L2246 PolarHBondContact O-N 2.87Å; T2242-D2594 VanDerWaalsContact CA-OD1 3.32Å; T2242-D2594 WeakPolarHBondContact CA-OD1 3.24Å; T2242-D2594 WeakPolarHBondContact CB-OD1 3.37Å; T2242-D2594 VanDerWaalsContact CB-OD2 3.28Å; T2242-D2594 WeakPolarHBondContact CB-OD2 3.35Å; T2242-Y2897 VanDerWaalsContact C-OH 3.25Å; T2242-Y2897 PolarHBondContact O-OH 2.95Å; T2242-Y2897 VanDerWaalsContact O-OH 3.11Å | ||
| 2243 | L | 75.4 | Confident | 76.4 | Confident | 63 Ų | 63 | 79.6 Ų | 79.6 | 33% | 0.33 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -68.8 | -34 | 177.9 | -159.6 | 145.9 | 0 | 0 | 0 | 111.1 | F2239 G2240 V2241 L2246 A2247 A2590 L2593 D2594 | F2239-L2243 HydrophobicContact CE1-CD1 3.98Å; F2239-L2243 HydrophobicContact CZ-CD1 4.31Å; F2239-L2243 WeakPolarHBondContact O-CB 3.44Å; F2239-L2243 PolarHBondContact O-N 3.09Å; G2240-L2243 PolarHBondContact O-N 3.42Å; V2241-L2243 VanDerWaalsContact C-N 3.35Å; L2243-L2246 WeakPolarHBondContact O-CB 3.32Å; L2243-L2246 PolarHBondContact O-N 2.92Å; L2243-A2247 WeakPolarHBondContact O-CB 3.25Å; L2243-A2247 PolarHBondContact O-N 2.8Å; L2243-A2590 HydrophobicContact CB-CB 4.47Å; L2243-A2590 HydrophobicContact CD2-CB 3.59Å; L2243-A2590 VanDerWaalsContact CD2-CB 3.41Å; L2243-L2593 HydrophobicContact CD1-CB 4.2Å; L2243-L2593 HydrophobicContact CD1-CD1 4.26Å; L2243-D2594 WeakPolarHBondContact CB-OD1 3.43Å; L2243-D2594 VanDerWaalsContact N-CG 3.32Å; L2243-D2594 PolarHBondContact N-OD1 3.06Å; L2243-D2594 PolarHBondContact N-OD2 2.88Å; L2243-D2594 VanDerWaalsContact N-OD2 3.13Å |
| 2244 | T | 79.9 | Confident | 75.8 | Confident | 42 Ų | 42 | 75.5 Ų | 75.5 | 26% | 0.258 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 169.8 | 46.5 | 0 | 0 | 0 | 0 | 112.5 | G2240 V2241 T2242 L2246 A2247 I2248 A2590 L2591 D2594 | G2240-T2244 WeakPolarHBondContact O-CG2 2.91Å; G2240-T2244 PolarHBondContact O-N 2.77Å; G2240-T2244 PolarHBondContact O-OG1 2.9Å; G2240-T2244 VanDerWaalsContact O-OG1 3.12Å; V2241-T2244 WeakPolarHBondContact CA-OG1 3.4Å; V2241-T2244 PolarHBondContact O-OG1 2.89Å; T2242-T2244 VanDerWaalsContact C-N 3.26Å; T2242-T2244 WeakPolarHBondContact CB-OG1 3.44Å; T2242-T2244 PolarHBondContact O-N 2.66Å; T2242-T2244 PolarHBondContact OG1-OG1 3.18Å; T2244-L2246 VanDerWaalsContact C-N 3.33Å; T2244-L2246 PolarHBondContact O-N 3.23Å; T2244-A2247 PolarHBondContact O-N 3.16Å; T2244-I2248 WeakPolarHBondContact O-CB 3.38Å; T2244-I2248 WeakPolarHBondContact O-CD1 3.41Å; T2244-I2248 VanDerWaalsContact O-CG1 3.27Å; T2244-I2248 WeakPolarHBondContact O-CG1 3.31Å; T2244-I2248 PolarHBondContact O-N 2.98Å; T2244-A2590 HydrophobicContact CG2-CB 3.93Å; T2244-L2591 HydrophobicContact CG2-CB 4.34Å; T2244-L2591 HydrophobicContact CG2-CD2 3.78Å; T2244-L2591 HydrophobicContact CG2-CG 3.67Å; T2244-D2594 WeakPolarHBondContact CB-OD2 3.33Å; T2244-D2594 VanDerWaalsContact CG2-OD2 3.3Å; T2244-D2594 WeakPolarHBondContact CG2-OD2 3.38Å; T2244-D2594 PolarHBondContact N-OD2 3.21Å; T2244-D2594 PolarHBondContact OG1-OD2 3.34Å |
| 2245 | A | 74.8 | Confident | 75.1 | Confident | 33.3333 Ų | 33.3333 | 75.2 Ų | 75.2 | 28% | 0.275 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.2 | -42 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | V2241 T2242 I2248 I2249 | V2241-A2245 WeakPolarHBondContact O-CB 3.36Å; V2241-A2245 PolarHBondContact O-N 3.25Å; T2242-A2245 PolarHBondContact O-N 3.1Å; T2242-A2245 VanDerWaalsContact OG1-CB 3.22Å; T2242-A2245 WeakPolarHBondContact OG1-CB 3.13Å; T2242-A2245 PolarHBondContact OG1-N 3.12Å; A2245-I2248 PolarHBondContact O-N 3.23Å; A2245-I2249 WeakPolarHBondContact O-CB 3.45Å; A2245-I2249 WeakPolarHBondContact O-CD1 3.48Å; A2245-I2249 VanDerWaalsContact O-CG1 3.28Å; A2245-I2249 WeakPolarHBondContact O-CG1 3.27Å; A2245-I2249 PolarHBondContact O-N 3.25Å |
| 2246 | L | 75.5 | Confident | 74.3 | Confident | 69.6667 Ų | 69.6667 | 79.4 Ų | 79.4 | 37% | 0.365 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 174.6 | -176.7 | 125.1 | 0 | 0 | 0 | 111.7 | T2242 L2243 T2244 I2248 I2249 I2250 Y2897 | T2242-L2246 VanDerWaalsContact O-CB 3.31Å; T2242-L2246 WeakPolarHBondContact O-CB 3.43Å; T2242-L2246 PolarHBondContact O-N 2.87Å; L2243-L2246 WeakPolarHBondContact O-CB 3.32Å; L2243-L2246 PolarHBondContact O-N 2.92Å; T2244-L2246 VanDerWaalsContact C-N 3.33Å; T2244-L2246 PolarHBondContact O-N 3.23Å; L2246-I2248 VanDerWaalsContact C-N 3.3Å; L2246-I2248 PolarHBondContact O-N 2.85Å; L2246-I2249 PolarHBondContact O-N 3.25Å; L2246-I2250 HydrophobicContact CD1-CD1 4.16Å; L2246-I2250 HydrophobicContact CD2-CD1 3.64Å; L2246-I2250 VanDerWaalsContact CD2-CD1 3.45Å; L2246-I2250 HydrophobicContact CD2-CG1 4.11Å; L2246-I2250 HydrophobicContact CG-CD1 3.83Å; L2246-I2250 HydrophobicContact CG-CG1 4.29Å; L2246-I2250 WeakPolarHBondContact O-CB 3.15Å; L2246-I2250 VanDerWaalsContact O-CG1 3.28Å; L2246-I2250 WeakPolarHBondContact O-CG1 3.39Å; L2246-I2250 PolarHBondContact O-N 3.3Å; L2246-Y2897 HydrophobicContact CB-CD2 4.1Å; L2246-Y2897 HydrophobicContact CB-CE2 3.97Å; L2246-Y2897 HydrophobicContact CB-CG 4.45Å; L2246-Y2897 HydrophobicContact CD1-CD1 3.74Å; L2246-Y2897 HydrophobicContact CD1-CD2 3.7Å; L2246-Y2897 HydrophobicContact CD1-CE1 4.4Å; L2246-Y2897 HydrophobicContact CD1-CE2 4.36Å; L2246-Y2897 HydrophobicContact CD1-CG 3.34Å; L2246-Y2897 HydrophobicContact CG-CD2 4.49Å; L2246-Y2897 HydrophobicContact CG-CG 4.39Å |
| 2247 | A | 74 | Confident | 73.3 | Confident | 22.6667 Ų | 22.6667 | 81 Ų | 81 | 19% | 0.187 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -63.1 | -40 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L2243 T2244 I2249 I2250 R2251 W2583 | L2243-A2247 WeakPolarHBondContact O-CB 3.25Å; L2243-A2247 PolarHBondContact O-N 2.8Å; T2244-A2247 PolarHBondContact O-N 3.16Å; A2247-I2249 VanDerWaalsContact C-N 3.35Å; A2247-I2250 PolarHBondContact O-N 2.91Å; A2247-R2251 VanDerWaalsContact O-CB 3.31Å; A2247-R2251 WeakPolarHBondContact O-CB 3.4Å; A2247-R2251 PolarHBondContact O-N 2.95Å; A2247-W2583 HydrophobicContact CB-CH2 4.05Å; A2247-W2583 HydrophobicContact CB-CZ2 4.29Å; A2247-W2583 WeakPolarHBondContact O-CH2 3.3Å |
| 2248 | I | 75 | Confident | 72 | Confident | 107.333 Ų | 107.333 | 79.8 Ų | 79.8 | 55% | 0.55 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -65.3 | -43.1 | 175.3 | -67.7 | 164.2 | 0 | 0 | 0 | 110.8 | T2244 A2245 L2246 R2251 Y2252 | T2244-I2248 WeakPolarHBondContact O-CB 3.38Å; T2244-I2248 WeakPolarHBondContact O-CD1 3.41Å; T2244-I2248 VanDerWaalsContact O-CG1 3.27Å; T2244-I2248 WeakPolarHBondContact O-CG1 3.31Å; T2244-I2248 PolarHBondContact O-N 2.98Å; A2245-I2248 PolarHBondContact O-N 3.23Å; L2246-I2248 VanDerWaalsContact C-N 3.3Å; L2246-I2248 PolarHBondContact O-N 2.85Å; I2248-R2251 PolarHBondContact O-N 3.11Å; I2248-Y2252 VanDerWaalsContact O-CB 3.28Å; I2248-Y2252 WeakPolarHBondContact O-CB 3.43Å; I2248-Y2252 PolarHBondContact O-N 3.18Å |
| 2249 | I | 75.7 | Confident | 71 | Confident | 99.3333 Ų | 99.3333 | 83.2 Ų | 83.2 | 51% | 0.509 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64 | -46 | 177 | -68.9 | 164.3 | 0 | 0 | 0 | 110.7 | A2245 L2246 A2247 R2251 Y2252 M2253 | A2245-I2249 WeakPolarHBondContact O-CB 3.45Å; A2245-I2249 WeakPolarHBondContact O-CD1 3.48Å; A2245-I2249 VanDerWaalsContact O-CG1 3.28Å; A2245-I2249 WeakPolarHBondContact O-CG1 3.27Å; A2245-I2249 PolarHBondContact O-N 3.25Å; L2246-I2249 PolarHBondContact O-N 3.25Å; A2247-I2249 VanDerWaalsContact C-N 3.35Å; I2249-R2251 VanDerWaalsContact C-N 3.33Å; I2249-R2251 PolarHBondContact O-N 3.03Å; I2249-Y2252 WeakPolarHBondContact O-CB 3.5Å; I2249-Y2252 PolarHBondContact O-N 3.21Å; I2249-Y2252 VanDerWaalsContact O-N 3.14Å; I2249-M2253 HydrophobicContact CG2-CG 4.29Å; I2249-M2253 WeakPolarHBondContact O-CB 3.4Å; I2249-M2253 VanDerWaalsContact O-CG 3.3Å; I2249-M2253 WeakPolarHBondContact O-CG 3.39Å; I2249-M2253 PolarHBondContact O-N 3.22Å |
| 2250 | I | 73.6 | Confident | 70 | Confident | 49.6667 Ų | 49.6667 | 82.1 Ų | 82.1 | 26% | 0.255 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59 | -47.5 | 175.9 | -70.5 | 171.2 | 0 | 0 | 0 | 109.7 | L2246 A2247 Y2252 M2253 T2254 F2890 C2893 V2894 | L2246-I2250 HydrophobicContact CD1-CD1 4.16Å; L2246-I2250 HydrophobicContact CD2-CD1 3.64Å; L2246-I2250 VanDerWaalsContact CD2-CD1 3.45Å; L2246-I2250 HydrophobicContact CD2-CG1 4.11Å; L2246-I2250 HydrophobicContact CG-CD1 3.83Å; L2246-I2250 HydrophobicContact CG-CG1 4.29Å; L2246-I2250 WeakPolarHBondContact O-CB 3.15Å; L2246-I2250 VanDerWaalsContact O-CG1 3.28Å; L2246-I2250 WeakPolarHBondContact O-CG1 3.39Å; L2246-I2250 PolarHBondContact O-N 3.3Å; A2247-I2250 PolarHBondContact O-N 2.91Å; I2250-Y2252 VanDerWaalsContact C-N 3.32Å; I2250-Y2252 PolarHBondContact O-N 2.88Å; I2250-M2253 CarbonylContact O-C 3.58Å; I2250-M2253 PolarHBondContact O-N 3.02Å; I2250-M2253 VanDerWaalsContact O-N 3.14Å; I2250-T2254 HydrophobicContact CG2-CG2 4.19Å; I2250-T2254 WeakPolarHBondContact O-CB 3.47Å; I2250-T2254 VanDerWaalsContact O-CG2 3.3Å; I2250-T2254 WeakPolarHBondContact O-CG2 3.41Å; I2250-T2254 PolarHBondContact O-N 2.97Å; I2250-T2254 VanDerWaalsContact O-N 3.11Å; I2250-T2254 PolarHBondContact O-OG1 3.24Å; I2250-F2890 HydrophobicContact CD1-CD2 4.13Å; I2250-F2890 HydrophobicContact CD1-CE2 3.78Å; I2250-F2890 HydrophobicContact CG1-CD2 4.45Å; I2250-F2890 HydrophobicContact CG2-CD2 3.55Å; I2250-F2890 HydrophobicContact CG2-CE2 3.95Å; I2250-C2893 HydrophobicContact CG1-CB 3.85Å; I2250-V2894 HydrophobicContact CD1-CG2 4.21Å |
| 2251 | R | 70.2 | Confident | 68.9 | Low | 148 Ų | 148 | 83.5 Ų | 83.5 | 56% | 0.558 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -60.4 | -41.2 | 177.9 | -167.4 | 177.4 | -177.4 | 157 | 4.4 | 111.9 | A2247 I2248 I2249 M2253 T2254 C2255 W2583 | A2247-R2251 VanDerWaalsContact O-CB 3.31Å; A2247-R2251 WeakPolarHBondContact O-CB 3.4Å; A2247-R2251 PolarHBondContact O-N 2.95Å; I2248-R2251 PolarHBondContact O-N 3.11Å; I2249-R2251 VanDerWaalsContact C-N 3.33Å; I2249-R2251 PolarHBondContact O-N 3.03Å; R2251-M2253 VanDerWaalsContact C-N 3.34Å; R2251-M2253 PolarHBondContact O-N 2.8Å; R2251-T2254 PolarHBondContact O-N 3.2Å; R2251-T2254 PolarHBondContact O-OG1 3.22Å; R2251-C2255 WeakPolarHBondContact O-CA 2.94Å; R2251-C2255 WeakPolarHBondContact O-CB 3.38Å; R2251-C2255 PolarHBondContact O-N 2.95Å; R2251-C2255 PolarHBondContact O-SG 2.92Å; R2251-W2583 HydrophobicContact CB-CH2 3.83Å; R2251-W2583 HydrophobicContact CB-CZ2 3.95Å; R2251-W2583 HydrophobicContact CG-CZ2 4.42Å |
| 2252 | Y | 73.6 | Confident | 67.9 | Low | 189.333 Ų | 189.333 | 83.7 Ų | 83.7 | 74% | 0.742 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -62.7 | -46.5 | 176.3 | -176.5 | -95.3 | 0 | 0 | 0 | 111.7 | I2248 I2249 I2250 T2254 C2255 | I2248-Y2252 VanDerWaalsContact O-CB 3.28Å; I2248-Y2252 WeakPolarHBondContact O-CB 3.43Å; I2248-Y2252 PolarHBondContact O-N 3.18Å; I2249-Y2252 WeakPolarHBondContact O-CB 3.5Å; I2249-Y2252 PolarHBondContact O-N 3.21Å; I2249-Y2252 VanDerWaalsContact O-N 3.14Å; I2250-Y2252 VanDerWaalsContact C-N 3.32Å; I2250-Y2252 PolarHBondContact O-N 2.88Å; Y2252-T2254 PolarHBondContact O-N 3.01Å; Y2252-T2254 VanDerWaalsContact O-N 3.1Å; Y2252-C2255 PolarHBondContact O-N 2.74Å |
| 2253 | M | 72 | Confident | 66.5 | Low | 111.667 Ų | 111.667 | 87.8 Ų | 87.8 | 55% | 0.55 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -70.3 | -25.8 | -179.4 | -66 | -64.4 | -70.3 | 0 | 0 | 113.5 | I2249 I2250 R2251 | I2249-M2253 HydrophobicContact CG2-CG 4.29Å; I2249-M2253 WeakPolarHBondContact O-CB 3.4Å; I2249-M2253 VanDerWaalsContact O-CG 3.3Å; I2249-M2253 WeakPolarHBondContact O-CG 3.39Å; I2249-M2253 PolarHBondContact O-N 3.22Å; I2250-M2253 CarbonylContact O-C 3.58Å; I2250-M2253 PolarHBondContact O-N 3.02Å; I2250-M2253 VanDerWaalsContact O-N 3.14Å; R2251-M2253 VanDerWaalsContact C-N 3.34Å; R2251-M2253 PolarHBondContact O-N 2.8Å |
| 2254 | T | 69.5 | Low | 65.1 | Low | 26.3333 Ų | 26.3333 | 88.6 Ų | 88.6 | 16% | 0.162 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -97.7 | -13.5 | -179.2 | 61.1 | 0 | 0 | 0 | 0 | 113.8 | I2250 R2251 Y2252 E2256 Y2257 D2258 Y2886 F2890 | I2250-T2254 HydrophobicContact CG2-CG2 4.19Å; I2250-T2254 WeakPolarHBondContact O-CB 3.47Å; I2250-T2254 VanDerWaalsContact O-CG2 3.3Å; I2250-T2254 WeakPolarHBondContact O-CG2 3.41Å; I2250-T2254 PolarHBondContact O-N 2.97Å; I2250-T2254 VanDerWaalsContact O-N 3.11Å; I2250-T2254 PolarHBondContact O-OG1 3.24Å; R2251-T2254 PolarHBondContact O-N 3.2Å; R2251-T2254 PolarHBondContact O-OG1 3.22Å; Y2252-T2254 PolarHBondContact O-N 3.01Å; Y2252-T2254 VanDerWaalsContact O-N 3.1Å; T2254-E2256 VanDerWaalsContact C-N 3.29Å; T2254-E2256 PolarHBondContact O-N 3.37Å; T2254-E2256 VanDerWaalsContact O-N 3.11Å; T2254-Y2257 CarbonylContact O-C 3.59Å; T2254-Y2257 WeakPolarHBondContact O-CA 3.19Å; T2254-Y2257 PolarHBondContact O-N 2.89Å; T2254-D2258 WeakPolarHBondContact O-CB 3.48Å; T2254-D2258 PolarHBondContact O-N 2.82Å; T2254-Y2886 HydrophobicContact CG2-CD2 4.16Å; T2254-Y2886 HydrophobicContact CG2-CE2 4Å; T2254-F2890 HydrophobicContact CG2-CB 4.49Å |
| 2255 | C | 62.9 | Low | 63.6 | Low | 58 Ų | 58 | 91.7 Ų | 91.7 | 39% | 0.392 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.7 | -29.4 | -175 | -138.4 | 0 | 0 | 0 | 0 | 114.1 | R2251 Y2252 Y2257 D2258 N2259 | R2251-C2255 WeakPolarHBondContact O-CA 2.94Å; R2251-C2255 WeakPolarHBondContact O-CB 3.38Å; R2251-C2255 PolarHBondContact O-N 2.95Å; R2251-C2255 PolarHBondContact O-SG 2.92Å; Y2252-C2255 PolarHBondContact O-N 2.74Å; C2255-Y2257 VanDerWaalsContact C-N 3.31Å; C2255-Y2257 PolarHBondContact O-N 3.05Å; C2255-D2258 PolarHBondContact O-N 3.07Å; C2255-N2259 WeakPolarHBondContact O-CB 3.24Å; C2255-N2259 PolarHBondContact O-N 2.85Å; C2255-N2259 PolarHBondContact O-ND2 3.13Å; C2255-N2259 PolarHBondContact SG-ND2 3.28Å |
| 2256 | E | 61.9 | Low | 62.2 | Low | 143 Ų | 143 | 96.4 Ų | 96.4 | 67% | 0.668 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -75.4 | -28.4 | -177.7 | -158.3 | 176.8 | -178.7 | 0 | 0 | 112.7 | T2254 K2260 | T2254-E2256 VanDerWaalsContact C-N 3.29Å; T2254-E2256 PolarHBondContact O-N 3.37Å; T2254-E2256 VanDerWaalsContact O-N 3.11Å; E2256-K2260 VanDerWaalsContact O-CB 3.31Å; E2256-K2260 WeakPolarHBondContact O-CB 3.33Å; E2256-K2260 VanDerWaalsContact O-CG 3.26Å; E2256-K2260 WeakPolarHBondContact O-CG 3.42Å; E2256-K2260 PolarHBondContact O-N 2.83Å; E2256-K2260 IonicContact OE1-NZ 2.94Å; E2256-K2260 PolarHBondContact OE1-NZ 3.41Å |
| 2257 | Y | 59.1 | Low | 60.5 | Low | 95 Ų | 95 | 100.1 Ų | 100.1 | 37% | 0.373 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -84.4 | -32.7 | -179.2 | -70.7 | -84.7 | 0 | 0 | 0 | 113.2 | T2254 C2255 N2259 K2260 L2261 T2882 D2885 R2889 | T2254-Y2257 CarbonylContact O-C 3.59Å; T2254-Y2257 WeakPolarHBondContact O-CA 3.19Å; T2254-Y2257 PolarHBondContact O-N 2.89Å; C2255-Y2257 VanDerWaalsContact C-N 3.31Å; C2255-Y2257 PolarHBondContact O-N 3.05Å; Y2257-N2259 VanDerWaalsContact C-N 3.3Å; Y2257-N2259 PolarHBondContact O-N 2.9Å; Y2257-K2260 CarbonylContact O-C 3.59Å; Y2257-K2260 PolarHBondContact O-N 3.01Å; Y2257-K2260 VanDerWaalsContact O-N 3.07Å; Y2257-L2261 WeakPolarHBondContact O-CB 3.47Å; Y2257-L2261 WeakPolarHBondContact O-CD1 3.47Å; Y2257-L2261 PolarHBondContact O-N 2.93Å; Y2257-T2882 HydrophobicContact CD1-CG2 4.33Å; Y2257-D2885 HydrophobicContact CD1-CB 3.53Å; Y2257-D2885 HydrophobicContact CE1-CB 3.5Å; Y2257-D2885 VanDerWaalsContact CE1-CB 3.5Å; Y2257-D2885 HydrophobicContact CG-CB 4.49Å; Y2257-R2889 VanDerWaalsContact CE2-CD 3.49Å; Y2257-R2889 VanDerWaalsContact CE2-NH1 3.32Å; Y2257-R2889 VanDerWaalsContact CZ-CZ 3.44Å; Y2257-R2889 PolarHBondContact OH-NE 3.19Å; Y2257-R2889 PolarHBondContact OH-NH2 3.4Å |
| 2258 | D | 53.4 | Low | 58.9 | Low | 76.6667 Ų | 76.6667 | 105.4 Ų | 105.4 | 41% | 0.41 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 176.3 | -101.7 | 8.6 | 0 | 0 | 0 | 111.6 | T2254 C2255 K2260 L2261 G2262 Y2886 | T2254-D2258 WeakPolarHBondContact O-CB 3.48Å; T2254-D2258 PolarHBondContact O-N 2.82Å; C2255-D2258 PolarHBondContact O-N 3.07Å; D2258-K2260 VanDerWaalsContact C-N 3.34Å; D2258-K2260 PolarHBondContact O-N 3.09Å; D2258-L2261 CarbonylContact O-C 3.59Å; D2258-L2261 PolarHBondContact O-N 3.06Å; D2258-G2262 PolarHBondContact O-N 3.19Å; D2258-Y2886 HydrophobicContact CB-CD2 4.4Å; D2258-Y2886 HydrophobicContact CB-CE2 3.98Å |
| 2259 | N | 57.7 | Low | 57.2 | Low | 111.667 Ų | 111.667 | 104.8 Ų | 104.8 | 60% | 0.597 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69.3 | -22 | 175.6 | -71 | -21.1 | 0 | 0 | 0 | 112.6 | C2255 Y2257 N2263 | C2255-N2259 WeakPolarHBondContact O-CB 3.24Å; C2255-N2259 PolarHBondContact O-N 2.85Å; C2255-N2259 PolarHBondContact O-ND2 3.13Å; C2255-N2259 PolarHBondContact SG-ND2 3.28Å; Y2257-N2259 VanDerWaalsContact C-N 3.3Å; Y2257-N2259 PolarHBondContact O-N 2.9Å; N2259-N2263 WeakPolarHBondContact O-CB 3.38Å; N2259-N2263 PolarHBondContact O-N 3.44Å; N2259-N2263 PolarHBondContact O-ND2 3.14Å; N2259-N2263 VanDerWaalsContact O-ND2 3.13Å |
| 2260 | K | 54.8 | Low | 55.3 | Low | 131.667 Ų | 131.667 | 106 Ų | 106 | 57% | 0.572 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -82.8 | -37.7 | 171.8 | -91 | 175.9 | 174.2 | 172.2 | 0 | 112.2 | E2256 Y2257 D2258 N2263 L2264 T2882 | E2256-K2260 VanDerWaalsContact O-CB 3.31Å; E2256-K2260 WeakPolarHBondContact O-CB 3.33Å; E2256-K2260 VanDerWaalsContact O-CG 3.26Å; E2256-K2260 WeakPolarHBondContact O-CG 3.42Å; E2256-K2260 PolarHBondContact O-N 2.83Å; E2256-K2260 IonicContact OE1-NZ 2.94Å; E2256-K2260 PolarHBondContact OE1-NZ 3.41Å; Y2257-K2260 CarbonylContact O-C 3.59Å; Y2257-K2260 PolarHBondContact O-N 3.01Å; Y2257-K2260 VanDerWaalsContact O-N 3.07Å; D2258-K2260 VanDerWaalsContact C-N 3.34Å; D2258-K2260 PolarHBondContact O-N 3.09Å; K2260-N2263 PolarHBondContact O-N 2.87Å; K2260-L2264 VanDerWaalsContact O-CB 3.24Å; K2260-L2264 WeakPolarHBondContact O-CB 3.33Å; K2260-L2264 VanDerWaalsContact O-CD1 3.24Å; K2260-L2264 WeakPolarHBondContact O-CD1 3.17Å; K2260-L2264 WeakPolarHBondContact O-CG 3.37Å; K2260-L2264 PolarHBondContact O-N 3.09Å; K2260-T2882 HydrophobicContact CB-CG2 4Å |
| 2261 | L | 51.7 | Low | 53.6 | Low | 77.3333 Ų | 77.3333 | 111.1 Ų | 111.1 | 41% | 0.405 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69 | -36.6 | 175.1 | -98.1 | 76 | 0 | 0 | 0 | 112.2 | Y2257 D2258 N2263 L2264 T2882 | Y2257-L2261 WeakPolarHBondContact O-CB 3.47Å; Y2257-L2261 WeakPolarHBondContact O-CD1 3.47Å; Y2257-L2261 PolarHBondContact O-N 2.93Å; D2258-L2261 CarbonylContact O-C 3.59Å; D2258-L2261 PolarHBondContact O-N 3.06Å; L2261-N2263 PolarHBondContact O-N 3.36Å; L2261-L2264 PolarHBondContact O-N 3.34Å; L2261-L2264 VanDerWaalsContact O-N 3.17Å; L2261-T2882 HydrophobicContact CD1-CG2 3.37Å |
| 2262 | G | 54 | Low | 52 | Low | 54.3333 Ų | 54.3333 | 111.1 Ų | 111.1 | 56% | 0.56 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -14.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | D2258 | D2258-G2262 PolarHBondContact O-N 3.19Š|
| 2263 | N | 52.8 | Low | 50.3 | Low | 134.333 Ų | 134.333 | 109 Ų | 109 | 72% | 0.718 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | 3 | 179.6 | -73.8 | -40.3 | 0 | 0 | 0 | 113.7 | N2259 K2260 L2261 P2265 | N2259-N2263 WeakPolarHBondContact O-CB 3.38Å; N2259-N2263 PolarHBondContact O-N 3.44Å; N2259-N2263 PolarHBondContact O-ND2 3.14Å; N2259-N2263 VanDerWaalsContact O-ND2 3.13Å; K2260-N2263 PolarHBondContact O-N 2.87Å; L2261-N2263 PolarHBondContact O-N 3.36Å; N2263-P2265 VanDerWaalsContact O-CD 3.3Å; N2263-P2265 WeakPolarHBondContact O-CD 3.32Å |
| 2264 | L | 46.2 | Very low | 48.6 | Very low | 80 Ų | 80 | 109.1 Ų | 109.1 | 42% | 0.419 | 58% | 0.584 | S | S | . | * | trans | -82 | 113.5 | 167.3 | -81.4 | 158.3 | 0 | 0 | 0 | 108.3 | K2260 L2261 E2266 W2267 K2878 T2882 | K2260-L2264 VanDerWaalsContact O-CB 3.24Å; K2260-L2264 WeakPolarHBondContact O-CB 3.33Å; K2260-L2264 VanDerWaalsContact O-CD1 3.24Å; K2260-L2264 WeakPolarHBondContact O-CD1 3.17Å; K2260-L2264 WeakPolarHBondContact O-CG 3.37Å; K2260-L2264 PolarHBondContact O-N 3.09Å; L2261-L2264 PolarHBondContact O-N 3.34Å; L2261-L2264 VanDerWaalsContact O-N 3.17Å; L2264-E2266 VanDerWaalsContact C-N 3.29Å; L2264-E2266 PolarHBondContact O-N 3.12Å; L2264-E2266 VanDerWaalsContact O-N 3.11Å; L2264-W2267 PolarHBondContact O-N 2.92Å; L2264-K2878 HydrophobicContact CD2-CD 4.1Å; L2264-K2878 HydrophobicContact CD2-CG 4.12Å; L2264-T2882 HydrophobicContact CD1-CG2 4.06Å; L2264-T2882 WeakPolarHBondContact CD1-OG1 3.34Å | ||
| 2265 | P | 47.1 | Very low | 47 | Very low | 105.333 Ų | 105.333 | 111 Ų | 111 | 68% | 0.684 | 61% | 0.61 | S | S | * | * | trans | -72.9 | 60 | -172.7 | 27.9 | -29.6 | 0 | 0 | 0 | 110.6 | N2263 W2267 M2278 | N2263-P2265 VanDerWaalsContact O-CD 3.3Å; N2263-P2265 WeakPolarHBondContact O-CD 3.32Å; P2265-W2267 PolarHBondContact O-N 3.31Å; P2265-M2278 VanDerWaalsContact CB-O 3.24Å; P2265-M2278 WeakPolarHBondContact CB-O 3.45Å | ||
| 2266 | E | 45.2 | Very low | 45.8 | Very low | 133.333 Ų | 133.333 | 116.2 Ų | 116.2 | 62% | 0.623 | 63% | 0.628 | S | S | * | * | trans | -92.2 | 71.3 | 179 | -163.5 | 172.7 | -162.9 | 0 | 0 | 109.2 | L2264 N2268 S2269 L2270 R2284 | L2264-E2266 VanDerWaalsContact C-N 3.29Å; L2264-E2266 PolarHBondContact O-N 3.12Å; L2264-E2266 VanDerWaalsContact O-N 3.11Å; E2266-N2268 PolarHBondContact O-N 3.04Å; E2266-S2269 WeakPolarHBondContact OE2-CB 3.5Å; E2266-S2269 PolarHBondContact OE2-OG 3.31Å; E2266-L2270 WeakPolarHBondContact O-CD1 3.17Å; E2266-R2284 IonicContact OE1-CZ 2.85Å; E2266-R2284 VanDerWaalsContact OE1-CZ 3.26Å; E2266-R2284 IonicContact OE1-NH1 2.7Å; E2266-R2284 PolarHBondContact OE1-NH1 3.3Å; E2266-R2284 IonicContact OE1-NH2 3.34Å; E2266-R2284 PolarHBondContact OE1-NH2 3.03Å | ||
| 2267 | W | 41 | Very low | 44.7 | Very low | 146.667 Ų | 146.667 | 115.1 Ų | 115.1 | 56% | 0.556 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -106 | 12.3 | 173 | -89.8 | 80.1 | 0 | 0 | 0 | 112.1 | L2264 P2265 S2269 L2270 S2281 L2692 V2872 Q2875 | L2264-W2267 PolarHBondContact O-N 2.92Å; P2265-W2267 PolarHBondContact O-N 3.31Å; W2267-S2269 PolarHBondContact O-N 3.48Å; W2267-L2270 HydrophobicContact CD2-CD2 3.92Å; W2267-L2270 HydrophobicContact CE3-CD2 3.37Å; W2267-L2270 HydrophobicContact CG-CD2 4.44Å; W2267-L2270 HydrophobicContact CZ3-CD2 3.83Å; W2267-L2270 WeakPolarHBondContact O-CB 3.47Å; W2267-S2281 VanDerWaalsContact CE3-OG 3.3Å; W2267-S2281 VanDerWaalsContact CZ3-OG 3.32Å; W2267-S2281 WeakPolarHBondContact CZ3-OG 3.28Å; W2267-L2692 HydrophobicContact CE3-CD1 4.45Å; W2267-L2692 HydrophobicContact CE3-CD2 4.32Å; W2267-V2872 HydrophobicContact CH2-CG1 4Å; W2267-V2872 HydrophobicContact CZ3-CG1 3.98Å; W2267-Q2875 HydrophobicContact CH2-CB 3.83Å; W2267-Q2875 HydrophobicContact CZ2-CB 3.56Å |
| 2268 | N | 39.6 | Very low | 43.7 | Very low | 133.667 Ų | 133.667 | 117.9 Ų | 117.9 | 72% | 0.715 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.4 | 15.4 | 176.9 | -78.8 | -23.2 | 0 | 0 | 0 | 114.1 | E2266 L2270 | E2266-N2268 PolarHBondContact O-N 3.04Å; N2268-L2270 PolarHBondContact O-N 3.27Å; N2268-L2270 VanDerWaalsContact O-N 3.08Å |
| 2269 | S | 39.4 | Very low | 43.3 | Very low | 95.3333 Ų | 95.3333 | 116.3 Ų | 116.3 | 67% | 0.667 | 65% | 0.646 | S | S | * | * | trans | -95.6 | 67.1 | 171 | 53.9 | 0 | 0 | 0 | 0 | 111.4 | E2266 W2267 N2271 | E2266-S2269 WeakPolarHBondContact OE2-CB 3.5Å; E2266-S2269 PolarHBondContact OE2-OG 3.31Å; W2267-S2269 PolarHBondContact O-N 3.48Å; S2269-N2271 PolarHBondContact O-N 3.37Å | ||
| 2270 | L | 35.5 | Very low | 43 | Very low | 123.667 Ų | 123.667 | 115 Ų | 115 | 65% | 0.647 | 64% | 0.642 | S | S | * | * | trans | -111.3 | 52.6 | 174.9 | -109.1 | 100.7 | 0 | 0 | 0 | 110.6 | E2266 W2267 N2268 D2272 Q2273 I2277 | E2266-L2270 WeakPolarHBondContact O-CD1 3.17Å; W2267-L2270 HydrophobicContact CD2-CD2 3.92Å; W2267-L2270 HydrophobicContact CE3-CD2 3.37Å; W2267-L2270 HydrophobicContact CG-CD2 4.44Å; W2267-L2270 HydrophobicContact CZ3-CD2 3.83Å; W2267-L2270 WeakPolarHBondContact O-CB 3.47Å; N2268-L2270 PolarHBondContact O-N 3.27Å; N2268-L2270 VanDerWaalsContact O-N 3.08Å; L2270-D2272 PolarHBondContact O-N 2.78Å; L2270-Q2273 PolarHBondContact O-N 2.75Å; L2270-I2277 VanDerWaalsContact CA-CD1 3.5Å; L2270-I2277 HydrophobicContact CB-CD1 3.46Å; L2270-I2277 VanDerWaalsContact CB-CD1 3.46Å; L2270-I2277 HydrophobicContact CB-CG1 4.43Å; L2270-I2277 HydrophobicContact CD2-CD1 4.4Å; L2270-I2277 HydrophobicContact CD2-CG2 3.73Å; L2270-I2277 HydrophobicContact CG-CB 4.49Å; L2270-I2277 HydrophobicContact CG-CD1 3.56Å; L2270-I2277 HydrophobicContact CG-CG1 4.01Å; L2270-I2277 HydrophobicContact CG-CG2 3.8Å; L2270-I2277 WeakPolarHBondContact O-CD1 3.49Å | ||
| 2271 | N | 39.1 | Very low | 43.1 | Very low | 158.333 Ų | 158.333 | 110.6 Ų | 110.6 | 85% | 0.847 | 63% | 0.628 | S | S | * | * | trans | -132.3 | 75 | 170.3 | -130.5 | 20.9 | 0 | 0 | 0 | 112.3 | S2269 Q2273 | S2269-N2271 PolarHBondContact O-N 3.37Å; N2271-Q2273 PolarHBondContact O-N 3.11Å | ||
| 2272 | D | 36.7 | Very low | 43.4 | Very low | 148.333 Ų | 148.333 | 112.1 Ų | 112.1 | 79% | 0.793 | 64% | 0.636 | S | S | * | * | trans | -114.4 | 87.9 | 150.8 | -127.8 | 3.9 | 0 | 0 | 0 | 111.7 | L2270 | L2270-D2272 PolarHBondContact O-N 2.78Š| ||
| 2273 | Q | 36.6 | Very low | 43.8 | Very low | 143.667 Ų | 143.667 | 113.7 Ų | 113.7 | 67% | 0.671 | 63% | 0.634 | S | S | * | * | trans | 165.3 | 89.7 | 158.9 | -81.3 | 179.2 | 7.1 | 0 | 0 | 116.3 | L2270 N2271 G2275 Q2276 I2277 | L2270-Q2273 PolarHBondContact O-N 2.75Å; N2271-Q2273 PolarHBondContact O-N 3.11Å; Q2273-G2275 PolarHBondContact O-N 2.73Å; Q2273-G2275 VanDerWaalsContact O-N 3.13Å; Q2273-Q2276 HydrophobicContact CB-CB 3.76Å; Q2273-Q2276 VanDerWaalsContact CD-OE1 3.24Å; Q2273-Q2276 HydrophobicContact CG-CB 4.22Å; Q2273-Q2276 CarbonylContact O-C 3.39Å; Q2273-Q2276 WeakPolarHBondContact O-CA 3.22Å; Q2273-Q2276 WeakPolarHBondContact O-CB 3.5Å; Q2273-Q2276 PolarHBondContact O-N 3.45Å; Q2273-I2277 VanDerWaalsContact C-CD1 3.43Å; Q2273-I2277 HydrophobicContact CB-CD1 3.87Å; Q2273-I2277 HydrophobicContact CB-CG1 4.18Å; Q2273-I2277 VanDerWaalsContact O-CD1 3.26Å; Q2273-I2277 WeakPolarHBondContact O-CD1 3.39Å; Q2273-I2277 WeakPolarHBondContact O-CG1 3.29Å; Q2273-I2277 PolarHBondContact O-N 3.23Å | ||
| 2274 | S | 35.7 | Very low | 44.2 | Very low | 113.667 Ų | 113.667 | 114.9 Ų | 114.9 | 80% | 0.795 | 63% | 0.629 | S | S | * | * | trans | 33 | 93.5 | 162 | 59.9 | 0 | 0 | 0 | 0 | 117.7 | I2277 | S2274-I2277 PolarHBondContact O-N 2.71Š| ||
| 2275 | G | 37 | Very low | 45.3 | Very low | 67 Ų | 67 | 114 Ų | 114 | 69% | 0.691 | 62% | 0.622 | S | S | * | * | 43.8 | 68.8 | 115.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q2273 I2277 G2279 | Q2273-G2275 PolarHBondContact O-N 2.73Å; Q2273-G2275 VanDerWaalsContact O-N 3.13Å; G2275-I2277 PolarHBondContact O-N 2.7Å; G2275-G2279 PolarHBondContact O-N 2.71Å | |||
| 2276 | Q | 37.7 | Very low | 46.5 | Very low | 166.667 Ų | 166.667 | 115.5 Ų | 115.5 | 78% | 0.779 | 62% | 0.618 | S | S | * | * | trans | 120 | 48.4 | 157.9 | -87.9 | 177.2 | -18.9 | 0 | 0 | 114.5 | Q2273 G2279 T2280 | Q2273-Q2276 HydrophobicContact CB-CB 3.76Å; Q2273-Q2276 VanDerWaalsContact CD-OE1 3.24Å; Q2273-Q2276 HydrophobicContact CG-CB 4.22Å; Q2273-Q2276 CarbonylContact O-C 3.39Å; Q2273-Q2276 WeakPolarHBondContact O-CA 3.22Å; Q2273-Q2276 WeakPolarHBondContact O-CB 3.5Å; Q2273-Q2276 PolarHBondContact O-N 3.45Å; Q2276-G2279 CarbonylContact O-C 3.3Å; Q2276-G2279 VanDerWaalsContact O-C 3.3Å; Q2276-G2279 VanDerWaalsContact O-CA 3.22Å; Q2276-G2279 WeakPolarHBondContact O-CA 3.06Å; Q2276-G2279 PolarHBondContact O-N 3.41Å; Q2276-T2280 VanDerWaalsContact O-CG2 3.23Å; Q2276-T2280 WeakPolarHBondContact O-CG2 3.43Å; Q2276-T2280 PolarHBondContact O-N 2.78Å | ||
| 2277 | I | 38.2 | Very low | 48 | Very low | 121 Ų | 121 | 115 Ų | 115 | 62% | 0.621 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -148.2 | 49.4 | 154.4 | -61.9 | 158 | 0 | 0 | 0 | 110.9 | L2270 Q2273 S2274 G2275 G2279 T2280 S2281 | L2270-I2277 VanDerWaalsContact CA-CD1 3.5Å; L2270-I2277 HydrophobicContact CB-CD1 3.46Å; L2270-I2277 VanDerWaalsContact CB-CD1 3.46Å; L2270-I2277 HydrophobicContact CB-CG1 4.43Å; L2270-I2277 HydrophobicContact CD2-CD1 4.4Å; L2270-I2277 HydrophobicContact CD2-CG2 3.73Å; L2270-I2277 HydrophobicContact CG-CB 4.49Å; L2270-I2277 HydrophobicContact CG-CD1 3.56Å; L2270-I2277 HydrophobicContact CG-CG1 4.01Å; L2270-I2277 HydrophobicContact CG-CG2 3.8Å; L2270-I2277 WeakPolarHBondContact O-CD1 3.49Å; Q2273-I2277 VanDerWaalsContact C-CD1 3.43Å; Q2273-I2277 HydrophobicContact CB-CD1 3.87Å; Q2273-I2277 HydrophobicContact CB-CG1 4.18Å; Q2273-I2277 VanDerWaalsContact O-CD1 3.26Å; Q2273-I2277 WeakPolarHBondContact O-CD1 3.39Å; Q2273-I2277 WeakPolarHBondContact O-CG1 3.29Å; Q2273-I2277 PolarHBondContact O-N 3.23Å; S2274-I2277 PolarHBondContact O-N 2.71Å; G2275-I2277 PolarHBondContact O-N 2.7Å; I2277-G2279 PolarHBondContact O-N 2.66Å; I2277-T2280 WeakPolarHBondContact CA-OG1 2.96Å; I2277-T2280 CarbonylContact O-C 3.55Å; I2277-T2280 WeakPolarHBondContact O-CA 3.39Å; I2277-T2280 PolarHBondContact O-N 3.38Å; I2277-T2280 PolarHBondContact O-OG1 2.72Å; I2277-S2281 PolarHBondContact O-N 2.88Å; I2277-S2281 PolarHBondContact O-OG 3.06Å |
| 2278 | M | 38.8 | Very low | 49.7 | Very low | 153 Ų | 153 | 111.6 Ų | 111.6 | 75% | 0.754 | 61% | 0.611 | S | S | * | * | trans | -58 | 55.9 | 160.7 | -77.5 | -156.1 | -146.8 | 0 | 0 | 113.6 | P2265 T2280 S2281 L2282 | P2265-M2278 VanDerWaalsContact CB-O 3.24Å; P2265-M2278 WeakPolarHBondContact CB-O 3.45Å; M2278-T2280 HydrophobicContact CB-CG2 4.02Å; M2278-T2280 HydrophobicContact CG-CG2 4.23Å; M2278-T2280 HydrophobicContact SD-CG2 4.2Å; M2278-S2281 PolarHBondContact O-OG 3.43Å; M2278-L2282 VanDerWaalsContact O-CB 3.23Å; M2278-L2282 WeakPolarHBondContact O-CB 3.05Å; M2278-L2282 PolarHBondContact O-N 2.72Å | ||
| 2279 | G | 44.4 | Very low | 51.6 | Low | 43.6667 Ų | 43.6667 | 109 Ų | 109 | 45% | 0.45 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -96.1 | -3.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G2275 Q2276 I2277 S2281 L2282 T2283 | G2275-G2279 PolarHBondContact O-N 2.71Å; Q2276-G2279 CarbonylContact O-C 3.3Å; Q2276-G2279 VanDerWaalsContact O-C 3.3Å; Q2276-G2279 VanDerWaalsContact O-CA 3.22Å; Q2276-G2279 WeakPolarHBondContact O-CA 3.06Å; Q2276-G2279 PolarHBondContact O-N 3.41Å; I2277-G2279 PolarHBondContact O-N 2.66Å; G2279-S2281 PolarHBondContact O-N 2.92Å; G2279-L2282 PolarHBondContact O-N 3.35Å; G2279-T2283 WeakPolarHBondContact O-CB 3.4Å; G2279-T2283 VanDerWaalsContact O-CG2 3.28Å; G2279-T2283 WeakPolarHBondContact O-CG2 3.3Å; G2279-T2283 PolarHBondContact O-N 3.02Å; G2279-T2283 PolarHBondContact O-OG1 2.9Å |
| 2280 | T | 51.9 | Low | 53.7 | Low | 83.3333 Ų | 83.3333 | 108.8 Ų | 108.8 | 51% | 0.511 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -86 | -21 | -169.2 | 61.5 | 0 | 0 | 0 | 0 | 115.3 | Q2276 I2277 M2278 T2283 R2284 Q2875 | Q2276-T2280 VanDerWaalsContact O-CG2 3.23Å; Q2276-T2280 WeakPolarHBondContact O-CG2 3.43Å; Q2276-T2280 PolarHBondContact O-N 2.78Å; I2277-T2280 WeakPolarHBondContact CA-OG1 2.96Å; I2277-T2280 CarbonylContact O-C 3.55Å; I2277-T2280 WeakPolarHBondContact O-CA 3.39Å; I2277-T2280 PolarHBondContact O-N 3.38Å; I2277-T2280 PolarHBondContact O-OG1 2.72Å; M2278-T2280 HydrophobicContact CB-CG2 4.02Å; M2278-T2280 HydrophobicContact CG-CG2 4.23Å; M2278-T2280 HydrophobicContact SD-CG2 4.2Å; T2280-T2283 WeakPolarHBondContact CA-OG1 3.14Å; T2280-T2283 PolarHBondContact O-OG1 3.31Å; T2280-R2284 WeakPolarHBondContact O-CA 3.28Å; T2280-R2284 WeakPolarHBondContact O-CB 3.29Å; T2280-R2284 PolarHBondContact O-N 2.82Å; T2280-Q2875 PolarHBondContact OG1-NE2 3.31Å; T2280-Q2875 VanDerWaalsContact OG1-NE2 3.12Å |
| 2281 | S | 56.9 | Low | 56 | Low | 40 Ų | 40 | 105.4 Ų | 105.4 | 28% | 0.28 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -81 | -38.2 | 175.9 | 57.5 | 0 | 0 | 0 | 0 | 112 | W2267 I2277 M2278 G2279 T2283 R2284 Q2285 | W2267-S2281 VanDerWaalsContact CE3-OG 3.3Å; W2267-S2281 VanDerWaalsContact CZ3-OG 3.32Å; W2267-S2281 WeakPolarHBondContact CZ3-OG 3.28Å; I2277-S2281 PolarHBondContact O-N 2.88Å; I2277-S2281 PolarHBondContact O-OG 3.06Å; M2278-S2281 PolarHBondContact O-OG 3.43Å; G2279-S2281 PolarHBondContact O-N 2.92Å; S2281-T2283 PolarHBondContact O-N 3.35Å; S2281-R2284 PolarHBondContact O-N 3.13Å; S2281-Q2285 WeakPolarHBondContact O-CB 3.32Å; S2281-Q2285 VanDerWaalsContact O-CG 3.26Å; S2281-Q2285 WeakPolarHBondContact O-CG 3.21Å; S2281-Q2285 PolarHBondContact O-N 2.97Å |
| 2282 | L | 57.3 | Low | 58 | Low | 109 Ų | 109 | 100.2 Ų | 100.2 | 57% | 0.571 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67 | -37.4 | -179.4 | -161.6 | 81.1 | 0 | 0 | 0 | 112.6 | M2278 G2279 R2284 Q2285 K2286 | M2278-L2282 VanDerWaalsContact O-CB 3.23Å; M2278-L2282 WeakPolarHBondContact O-CB 3.05Å; M2278-L2282 PolarHBondContact O-N 2.72Å; G2279-L2282 PolarHBondContact O-N 3.35Å; L2282-R2284 VanDerWaalsContact C-N 3.34Å; L2282-Q2285 WeakPolarHBondContact O-CB 3.21Å; L2282-Q2285 PolarHBondContact O-N 2.89Å; L2282-K2286 VanDerWaalsContact O-CB 3.29Å; L2282-K2286 WeakPolarHBondContact O-CB 3.22Å; L2282-K2286 PolarHBondContact O-N 3.01Å; L2282-K2286 VanDerWaalsContact O-N 3.16Å |
| 2283 | T | 61.8 | Low | 60.3 | Low | 86.6667 Ų | 86.6667 | 95.9 Ų | 95.9 | 53% | 0.532 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -71.4 | -33.5 | 175.2 | 53.6 | 0 | 0 | 0 | 0 | 112.3 | G2279 T2280 S2281 K2286 L2287 | G2279-T2283 WeakPolarHBondContact O-CB 3.4Å; G2279-T2283 VanDerWaalsContact O-CG2 3.28Å; G2279-T2283 WeakPolarHBondContact O-CG2 3.3Å; G2279-T2283 PolarHBondContact O-N 3.02Å; G2279-T2283 PolarHBondContact O-OG1 2.9Å; T2280-T2283 WeakPolarHBondContact CA-OG1 3.14Å; T2280-T2283 PolarHBondContact O-OG1 3.31Å; S2281-T2283 PolarHBondContact O-N 3.35Å; T2283-K2286 PolarHBondContact O-N 3.08Å; T2283-L2287 VanDerWaalsContact O-CB 3.23Å; T2283-L2287 WeakPolarHBondContact O-CB 3.31Å; T2283-L2287 WeakPolarHBondContact O-CD1 3.02Å; T2283-L2287 WeakPolarHBondContact O-CG 3.41Å; T2283-L2287 PolarHBondContact O-N 3.34Å |
| 2284 | R | 62.7 | Low | 62.7 | Low | 160.667 Ų | 160.667 | 94 Ų | 94 | 61% | 0.606 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -71 | -36.7 | 174.5 | -165.6 | 173.7 | -176.8 | 141.6 | -1.2 | 111.3 | E2266 T2280 S2281 L2282 L2287 L2288 | E2266-R2284 IonicContact OE1-CZ 2.85Å; E2266-R2284 VanDerWaalsContact OE1-CZ 3.26Å; E2266-R2284 IonicContact OE1-NH1 2.7Å; E2266-R2284 PolarHBondContact OE1-NH1 3.3Å; E2266-R2284 IonicContact OE1-NH2 3.34Å; E2266-R2284 PolarHBondContact OE1-NH2 3.03Å; T2280-R2284 WeakPolarHBondContact O-CA 3.28Å; T2280-R2284 WeakPolarHBondContact O-CB 3.29Å; T2280-R2284 PolarHBondContact O-N 2.82Å; S2281-R2284 PolarHBondContact O-N 3.13Å; L2282-R2284 VanDerWaalsContact C-N 3.34Å; R2284-L2287 PolarHBondContact O-N 2.99Å; R2284-L2288 HydrophobicContact CG-CD1 4.36Å; R2284-L2288 VanDerWaalsContact O-CB 3.3Å; R2284-L2288 WeakPolarHBondContact O-CB 3.27Å; R2284-L2288 WeakPolarHBondContact O-CD1 3.21Å; R2284-L2288 WeakPolarHBondContact O-CG 3.3Å; R2284-L2288 PolarHBondContact O-N 3.14Å |
| 2285 | Q | 67.8 | Low | 65.2 | Low | 60 Ų | 60 | 93 Ų | 93 | 28% | 0.28 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.2 | -45.4 | 171.1 | -105.5 | 177.3 | -19.5 | 0 | 0 | 111.7 | S2281 L2282 L2287 L2288 Q2289 V2696 | S2281-Q2285 WeakPolarHBondContact O-CB 3.32Å; S2281-Q2285 VanDerWaalsContact O-CG 3.26Å; S2281-Q2285 WeakPolarHBondContact O-CG 3.21Å; S2281-Q2285 PolarHBondContact O-N 2.97Å; L2282-Q2285 WeakPolarHBondContact O-CB 3.21Å; L2282-Q2285 PolarHBondContact O-N 2.89Å; Q2285-L2287 PolarHBondContact O-N 3.23Å; Q2285-L2288 CarbonylContact O-C 3.58Å; Q2285-L2288 WeakPolarHBondContact O-CB 3.4Å; Q2285-L2288 PolarHBondContact O-N 3.09Å; Q2285-Q2289 WeakPolarHBondContact O-CB 3.37Å; Q2285-Q2289 PolarHBondContact O-N 2.97Å; Q2285-V2696 HydrophobicContact CB-CG2 3.98Å; Q2285-V2696 HydrophobicContact CG-CG2 3.51Å |
| 2286 | K | 72.9 | Confident | 67.7 | Low | 137.333 Ų | 137.333 | 92.3 Ų | 92.3 | 60% | 0.597 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.7 | -41.1 | 177.3 | -129 | 176.7 | -179.3 | 175.6 | 0 | 112.6 | L2282 T2283 L2288 Q2289 D2290 | L2282-K2286 VanDerWaalsContact O-CB 3.29Å; L2282-K2286 WeakPolarHBondContact O-CB 3.22Å; L2282-K2286 PolarHBondContact O-N 3.01Å; L2282-K2286 VanDerWaalsContact O-N 3.16Å; T2283-K2286 PolarHBondContact O-N 3.08Å; K2286-L2288 VanDerWaalsContact C-N 3.33Å; K2286-L2288 PolarHBondContact O-N 2.96Å; K2286-Q2289 CarbonylContact O-C 3.55Å; K2286-Q2289 WeakPolarHBondContact O-CB 3.21Å; K2286-Q2289 PolarHBondContact O-N 3.02Å; K2286-Q2289 VanDerWaalsContact O-N 3.13Å; K2286-D2290 WeakPolarHBondContact O-CB 3.3Å; K2286-D2290 PolarHBondContact O-N 3.21Å |
| 2287 | L | 76.5 | Confident | 70.2 | Confident | 123 Ų | 123 | 90.8 Ų | 90.8 | 64% | 0.644 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -65.8 | -36.7 | 175.3 | -74.9 | 168.9 | 0 | 0 | 0 | 112.5 | T2283 R2284 Q2285 A2291 | T2283-L2287 VanDerWaalsContact O-CB 3.23Å; T2283-L2287 WeakPolarHBondContact O-CB 3.31Å; T2283-L2287 WeakPolarHBondContact O-CD1 3.02Å; T2283-L2287 WeakPolarHBondContact O-CG 3.41Å; T2283-L2287 PolarHBondContact O-N 3.34Å; R2284-L2287 PolarHBondContact O-N 2.99Å; Q2285-L2287 PolarHBondContact O-N 3.23Å; L2287-A2291 VanDerWaalsContact O-CB 3.28Å; L2287-A2291 WeakPolarHBondContact O-CB 3.44Å; L2287-A2291 PolarHBondContact O-N 2.77Å |
| 2288 | L | 76.8 | Confident | 72.6 | Confident | 74.6667 Ų | 74.6667 | 89.9 Ų | 89.9 | 39% | 0.391 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.7 | -39.1 | 172.3 | -80.8 | 165 | 0 | 0 | 0 | 111.4 | R2284 Q2285 K2286 A2291 M2292 V2696 Y2868 | R2284-L2288 HydrophobicContact CG-CD1 4.36Å; R2284-L2288 VanDerWaalsContact O-CB 3.3Å; R2284-L2288 WeakPolarHBondContact O-CB 3.27Å; R2284-L2288 WeakPolarHBondContact O-CD1 3.21Å; R2284-L2288 WeakPolarHBondContact O-CG 3.3Å; R2284-L2288 PolarHBondContact O-N 3.14Å; Q2285-L2288 CarbonylContact O-C 3.58Å; Q2285-L2288 WeakPolarHBondContact O-CB 3.4Å; Q2285-L2288 PolarHBondContact O-N 3.09Å; K2286-L2288 VanDerWaalsContact C-N 3.33Å; K2286-L2288 PolarHBondContact O-N 2.96Å; L2288-A2291 PolarHBondContact O-N 2.97Å; L2288-M2292 HydrophobicContact CB-CE 3.92Å; L2288-M2292 WeakPolarHBondContact O-CB 3.32Å; L2288-M2292 VanDerWaalsContact O-CE 3.3Å; L2288-M2292 WeakPolarHBondContact O-CE 3.45Å; L2288-M2292 VanDerWaalsContact O-CG 3.24Å; L2288-M2292 WeakPolarHBondContact O-CG 3.34Å; L2288-M2292 PolarHBondContact O-N 3.18Å; L2288-V2696 HydrophobicContact CB-CG1 4.5Å; L2288-V2696 HydrophobicContact CD1-CG1 4.34Å; L2288-Y2868 HydrophobicContact CD1-CD2 3.94Å; L2288-Y2868 HydrophobicContact CD1-CE2 3.78Å |
| 2289 | Q | 80.2 | Confident | 74.9 | Confident | 80.3333 Ų | 80.3333 | 84.3 Ų | 84.3 | 38% | 0.375 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.2 | -47.6 | 178 | -167.8 | 140.3 | 7.8 | 0 | 0 | 111.8 | Q2285 K2286 A2291 M2292 D2293 | Q2285-Q2289 WeakPolarHBondContact O-CB 3.37Å; Q2285-Q2289 PolarHBondContact O-N 2.97Å; K2286-Q2289 CarbonylContact O-C 3.55Å; K2286-Q2289 WeakPolarHBondContact O-CB 3.21Å; K2286-Q2289 PolarHBondContact O-N 3.02Å; K2286-Q2289 VanDerWaalsContact O-N 3.13Å; Q2289-A2291 VanDerWaalsContact C-N 3.31Å; Q2289-A2291 PolarHBondContact O-N 3.04Å; Q2289-M2292 WeakPolarHBondContact O-CB 3.28Å; Q2289-M2292 PolarHBondContact O-N 3.23Å; Q2289-M2292 VanDerWaalsContact O-N 3.15Å; Q2289-D2293 WeakPolarHBondContact O-CB 3.47Å; Q2289-D2293 PolarHBondContact O-N 2.81Å |
| 2290 | D | 83.1 | Confident | 77.1 | Confident | 90.6667 Ų | 90.6667 | 85.1 Ų | 85.1 | 49% | 0.485 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.7 | -39.2 | 175.8 | -75.2 | -20.4 | 0 | 0 | 0 | 111.5 | K2286 M2292 D2293 I2294 | K2286-D2290 WeakPolarHBondContact O-CB 3.3Å; K2286-D2290 PolarHBondContact O-N 3.21Å; D2290-M2292 VanDerWaalsContact C-N 3.3Å; D2290-M2292 PolarHBondContact O-N 3.33Å; D2290-D2293 PolarHBondContact O-N 3.17Å; D2290-I2294 WeakPolarHBondContact O-CB 3.43Å; D2290-I2294 WeakPolarHBondContact O-CD1 3.31Å; D2290-I2294 VanDerWaalsContact O-CG1 3.23Å; D2290-I2294 WeakPolarHBondContact O-CG1 3.33Å; D2290-I2294 PolarHBondContact O-N 3.21Å |
| 2291 | A | 84.8 | Confident | 78.9 | Confident | 52 Ų | 52 | 86 Ų | 86 | 43% | 0.43 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.5 | -38.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L2287 L2288 Q2289 D2293 I2294 H2295 F2860 | L2287-A2291 VanDerWaalsContact O-CB 3.28Å; L2287-A2291 WeakPolarHBondContact O-CB 3.44Å; L2287-A2291 PolarHBondContact O-N 2.77Å; L2288-A2291 PolarHBondContact O-N 2.97Å; Q2289-A2291 VanDerWaalsContact C-N 3.31Å; Q2289-A2291 PolarHBondContact O-N 3.04Å; A2291-D2293 VanDerWaalsContact C-N 3.34Å; A2291-I2294 PolarHBondContact O-N 3.1Å; A2291-H2295 WeakPolarHBondContact O-CB 3.4Å; A2291-H2295 PolarHBondContact O-N 2.77Å; A2291-F2860 HydrophobicContact CB-CZ 4.4Å |
| 2292 | M | 80.6 | Confident | 80.5 | Confident | 50.3333 Ų | 50.3333 | 89.1 Ų | 89.1 | 25% | 0.248 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -67.3 | -38.2 | 174.2 | -74.6 | -169.7 | -70.4 | 0 | 0 | 112.2 | L2288 Q2289 D2290 H2295 L2296 V2696 A2700 V2703 F2860 | L2288-M2292 HydrophobicContact CB-CE 3.92Å; L2288-M2292 WeakPolarHBondContact O-CB 3.32Å; L2288-M2292 VanDerWaalsContact O-CE 3.3Å; L2288-M2292 WeakPolarHBondContact O-CE 3.45Å; L2288-M2292 VanDerWaalsContact O-CG 3.24Å; L2288-M2292 WeakPolarHBondContact O-CG 3.34Å; L2288-M2292 PolarHBondContact O-N 3.18Å; Q2289-M2292 WeakPolarHBondContact O-CB 3.28Å; Q2289-M2292 PolarHBondContact O-N 3.23Å; Q2289-M2292 VanDerWaalsContact O-N 3.15Å; D2290-M2292 VanDerWaalsContact C-N 3.3Å; D2290-M2292 PolarHBondContact O-N 3.33Å; M2292-H2295 PolarHBondContact O-N 3.06Å; M2292-L2296 VanDerWaalsContact O-CB 3.28Å; M2292-L2296 WeakPolarHBondContact O-CB 3.35Å; M2292-L2296 PolarHBondContact O-N 2.85Å; M2292-V2696 HydrophobicContact CE-CG1 3.8Å; M2292-A2700 HydrophobicContact CE-CB 4.31Å; M2292-A2700 WeakPolarHBondContact SD-CA 3.36Å; M2292-A2700 HydrophobicContact SD-CB 3.49Å; M2292-A2700 WeakPolarHBondContact SD-CB 3.47Å; M2292-A2700 PolarHBondContact SD-N 2.75Å; M2292-V2703 HydrophobicContact CB-CG2 4.21Å; M2292-F2860 HydrophobicContact CG-CD1 3.88Å; M2292-F2860 HydrophobicContact CG-CE1 3.64Å; M2292-F2860 HydrophobicContact CG-CE2 4.34Å; M2292-F2860 HydrophobicContact CG-CG 4.31Å; M2292-F2860 HydrophobicContact CG-CZ 3.88Å |
| 2293 | D | 85.6 | Confident | 82.1 | Confident | 58 Ų | 58 | 86.1 Ų | 86.1 | 31% | 0.31 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -69.4 | -37.1 | 177.6 | -85.6 | 0.1 | 0 | 0 | 0 | 112.6 | Q2289 D2290 A2291 L2296 K2297 H2699 | Q2289-D2293 WeakPolarHBondContact O-CB 3.47Å; Q2289-D2293 PolarHBondContact O-N 2.81Å; D2290-D2293 PolarHBondContact O-N 3.17Å; A2291-D2293 VanDerWaalsContact C-N 3.34Å; D2293-L2296 PolarHBondContact O-N 3.34Å; D2293-K2297 WeakPolarHBondContact O-CB 3.1Å; D2293-K2297 VanDerWaalsContact O-CD 3.3Å; D2293-K2297 WeakPolarHBondContact O-CD 3.17Å; D2293-K2297 VanDerWaalsContact O-CG 3.22Å; D2293-K2297 WeakPolarHBondContact O-CG 3.26Å; D2293-K2297 PolarHBondContact O-N 3.2Å; D2293-K2297 VanDerWaalsContact O-N 3.09Å; D2293-K2297 IonicContact OD2-NZ 3.24Å; D2293-H2699 IonicContact OD1-CD2 3.31Å; D2293-H2699 IonicContact OD1-CE1 3.56Å; D2293-H2699 PolarHBondContact OD1-CE1 3.42Å; D2293-H2699 IonicContact OD1-NE2 2.83Å; D2293-H2699 PolarHBondContact OD1-NE2 3.34Å; D2293-H2699 IonicContact OD2-NE2 2.8Å |
| 2294 | I | 86.8 | Confident | 83.4 | Confident | 103.667 Ų | 103.667 | 88 Ų | 88 | 53% | 0.532 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.7 | -44.3 | 172.5 | -69.1 | 165.5 | 0 | 0 | 0 | 110.1 | D2290 A2291 L2296 K2297 N2298 | D2290-I2294 WeakPolarHBondContact O-CB 3.43Å; D2290-I2294 WeakPolarHBondContact O-CD1 3.31Å; D2290-I2294 VanDerWaalsContact O-CG1 3.23Å; D2290-I2294 WeakPolarHBondContact O-CG1 3.33Å; D2290-I2294 PolarHBondContact O-N 3.21Å; A2291-I2294 PolarHBondContact O-N 3.1Å; I2294-L2296 VanDerWaalsContact C-N 3.34Å; I2294-L2296 PolarHBondContact O-N 2.82Å; I2294-K2297 PolarHBondContact O-N 2.92Å; I2294-N2298 VanDerWaalsContact O-CB 3.32Å; I2294-N2298 WeakPolarHBondContact O-CB 3.45Å; I2294-N2298 PolarHBondContact O-N 3.1Å; I2294-N2298 PolarHBondContact O-ND2 3.05Å |
| 2295 | H | 87.7 | Confident | 84.6 | Confident | 92.3333 Ų | 92.3333 | 84.1 Ų | 84.1 | 43% | 0.427 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.5 | -44 | 175.5 | -173.2 | -48 | 0 | 0 | 0 | 111.5 | A2291 M2292 K2297 N2298 E2299 K2858 F2860 | A2291-H2295 WeakPolarHBondContact O-CB 3.4Å; A2291-H2295 PolarHBondContact O-N 2.77Å; M2292-H2295 PolarHBondContact O-N 3.06Å; H2295-K2297 PolarHBondContact O-N 2.82Å; H2295-N2298 PolarHBondContact O-N 3.18Å; H2295-E2299 VanDerWaalsContact O-CB 3.26Å; H2295-E2299 WeakPolarHBondContact O-CB 3.31Å; H2295-E2299 PolarHBondContact O-N 3.1Å; H2295-K2858 PolarHBondContact NE2-O 2.98Å; H2295-K2858 VanDerWaalsContact NE2-O 3.08Å; H2295-F2860 HydrophobicContact CB-CD2 3.75Å; H2295-F2860 HydrophobicContact CB-CE2 4.17Å; H2295-F2860 AromaticContact CD2-CD2 3.89Å; H2295-F2860 AromaticContact CG-CD2 3.7Å |
| 2296 | L | 89.1 | Confident | 85.6 | Confident | 52 Ų | 52 | 85.3 Ų | 85.3 | 27% | 0.272 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58 | -48.8 | 176.6 | 179.5 | 65.3 | 0 | 0 | 0 | 111.4 | M2292 D2293 I2294 N2298 E2299 L2300 V2703 H2706 V2707 | M2292-L2296 VanDerWaalsContact O-CB 3.28Å; M2292-L2296 WeakPolarHBondContact O-CB 3.35Å; M2292-L2296 PolarHBondContact O-N 2.85Å; D2293-L2296 PolarHBondContact O-N 3.34Å; I2294-L2296 VanDerWaalsContact C-N 3.34Å; I2294-L2296 PolarHBondContact O-N 2.82Å; L2296-N2298 PolarHBondContact O-N 2.86Å; L2296-E2299 PolarHBondContact O-N 2.97Å; L2296-L2300 HydrophobicContact CD1-CD1 3.96Å; L2296-L2300 HydrophobicContact CD1-CD2 4.43Å; L2296-L2300 HydrophobicContact CD1-CG 4.11Å; L2296-L2300 HydrophobicContact CG-CD1 3.97Å; L2296-L2300 HydrophobicContact CG-CG 4.31Å; L2296-L2300 VanDerWaalsContact O-CB 3.31Å; L2296-L2300 WeakPolarHBondContact O-CB 3.46Å; L2296-L2300 VanDerWaalsContact O-CG 3.31Å; L2296-L2300 WeakPolarHBondContact O-CG 3.28Å; L2296-L2300 PolarHBondContact O-N 3.02Å; L2296-V2703 HydrophobicContact CB-CG1 3.98Å; L2296-V2703 HydrophobicContact CB-CG2 4.41Å; L2296-V2703 HydrophobicContact CD1-CG1 4.26Å; L2296-V2703 HydrophobicContact CD2-CG2 4.31Å; L2296-H2706 HydrophobicContact CD1-CB 4.03Å; L2296-V2707 HydrophobicContact CD1-CG2 3.59Å |
| 2297 | K | 90.3 | Very high | 86.3 | Confident | 135.667 Ų | 135.667 | 80.9 Ų | 80.9 | 59% | 0.59 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.1 | -45.6 | 178.7 | -80.3 | 171.9 | -177.2 | 164.7 | 0 | 112 | D2293 I2294 H2295 E2299 L2300 I2301 | D2293-K2297 WeakPolarHBondContact O-CB 3.1Å; D2293-K2297 VanDerWaalsContact O-CD 3.3Å; D2293-K2297 WeakPolarHBondContact O-CD 3.17Å; D2293-K2297 VanDerWaalsContact O-CG 3.22Å; D2293-K2297 WeakPolarHBondContact O-CG 3.26Å; D2293-K2297 PolarHBondContact O-N 3.2Å; D2293-K2297 VanDerWaalsContact O-N 3.09Å; D2293-K2297 IonicContact OD2-NZ 3.24Å; I2294-K2297 PolarHBondContact O-N 2.92Å; H2295-K2297 PolarHBondContact O-N 2.82Å; K2297-E2299 VanDerWaalsContact C-N 3.31Å; K2297-E2299 PolarHBondContact O-N 3.1Å; K2297-L2300 PolarHBondContact O-N 3.33Å; K2297-I2301 WeakPolarHBondContact O-CB 3.07Å; K2297-I2301 WeakPolarHBondContact O-CD1 3.11Å; K2297-I2301 VanDerWaalsContact O-CG1 3.26Å; K2297-I2301 WeakPolarHBondContact O-CG1 3.29Å; K2297-I2301 PolarHBondContact O-N 3.2Å; K2297-I2301 VanDerWaalsContact O-N 3.16Å |
| 2298 | N | 89.1 | Confident | 86.9 | Confident | 101.333 Ų | 101.333 | 82.1 Ų | 82.1 | 54% | 0.542 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 178.1 | -73.8 | -13.4 | 0 | 0 | 0 | 111.7 | I2294 H2295 L2296 I2301 R2302 | I2294-N2298 VanDerWaalsContact O-CB 3.32Å; I2294-N2298 WeakPolarHBondContact O-CB 3.45Å; I2294-N2298 PolarHBondContact O-N 3.1Å; I2294-N2298 PolarHBondContact O-ND2 3.05Å; H2295-N2298 PolarHBondContact O-N 3.18Å; L2296-N2298 PolarHBondContact O-N 2.86Å; N2298-I2301 PolarHBondContact O-N 3.39Å; N2298-R2302 WeakPolarHBondContact O-CB 3.34Å; N2298-R2302 PolarHBondContact O-N 3.22Å |
| 2299 | E | 87.5 | Confident | 87.4 | Confident | 35.6667 Ų | 35.6667 | 85 Ų | 85 | 17% | 0.167 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -73.9 | -35.6 | -178.9 | -168.6 | 58.5 | -170.1 | 0 | 0 | 112.5 | H2295 L2296 K2297 R2302 Q2303 V2707 K2858 | H2295-E2299 VanDerWaalsContact O-CB 3.26Å; H2295-E2299 WeakPolarHBondContact O-CB 3.31Å; H2295-E2299 PolarHBondContact O-N 3.1Å; L2296-E2299 PolarHBondContact O-N 2.97Å; K2297-E2299 VanDerWaalsContact C-N 3.31Å; K2297-E2299 PolarHBondContact O-N 3.1Å; E2299-R2302 PolarHBondContact O-N 3.45Å; E2299-R2302 IonicContact OE1-CZ 3.69Å; E2299-R2302 IonicContact OE1-NE 3.01Å; E2299-R2302 PolarHBondContact OE1-NE 3.23Å; E2299-R2302 IonicContact OE1-NH2 3.64Å; E2299-R2302 PolarHBondContact OE1-NH2 3.1Å; E2299-R2302 WeakPolarHBondContact OE2-CD 3.49Å; E2299-R2302 IonicContact OE2-CZ 3Å; E2299-R2302 IonicContact OE2-NE 3.48Å; E2299-R2302 PolarHBondContact OE2-NE 3.08Å; E2299-R2302 IonicContact OE2-NH2 3.24Å; E2299-R2302 PolarHBondContact OE2-NH2 2.76Å; E2299-Q2303 WeakPolarHBondContact O-CB 3.47Å; E2299-Q2303 VanDerWaalsContact O-CG 3.26Å; E2299-Q2303 WeakPolarHBondContact O-CG 3.27Å; E2299-Q2303 PolarHBondContact O-N 2.87Å; E2299-Q2303 PolarHBondContact OE1-NE2 3.02Å; E2299-V2707 HydrophobicContact CB-CG1 4.49Å; E2299-V2707 HydrophobicContact CB-CG2 4.36Å; E2299-V2707 HydrophobicContact CG-CG1 3.47Å; E2299-V2707 VanDerWaalsContact CG-CG1 3.47Å; E2299-V2707 HydrophobicContact CG-CG2 4.17Å; E2299-K2858 PolarHBondContact OE1-N 3.43Å |
| 2300 | L | 89.3 | Confident | 87.7 | Confident | 60 Ų | 60 | 84.3 Ų | 84.3 | 31% | 0.314 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.4 | -44 | 170.6 | -86.3 | 169.9 | 0 | 0 | 0 | 111.7 | L2296 K2297 R2302 Q2303 Q2304 S2710 | L2296-L2300 HydrophobicContact CD1-CD1 3.96Å; L2296-L2300 HydrophobicContact CD1-CD2 4.43Å; L2296-L2300 HydrophobicContact CD1-CG 4.11Å; L2296-L2300 HydrophobicContact CG-CD1 3.97Å; L2296-L2300 HydrophobicContact CG-CG 4.31Å; L2296-L2300 VanDerWaalsContact O-CB 3.31Å; L2296-L2300 WeakPolarHBondContact O-CB 3.46Å; L2296-L2300 VanDerWaalsContact O-CG 3.31Å; L2296-L2300 WeakPolarHBondContact O-CG 3.28Å; L2296-L2300 PolarHBondContact O-N 3.02Å; K2297-L2300 PolarHBondContact O-N 3.33Å; L2300-R2302 VanDerWaalsContact C-N 3.32Å; L2300-R2302 PolarHBondContact O-N 3.14Å; L2300-Q2303 PolarHBondContact O-N 3.32Å; L2300-Q2304 WeakPolarHBondContact O-CB 3.24Å; L2300-Q2304 VanDerWaalsContact O-CG 3.31Å; L2300-Q2304 WeakPolarHBondContact O-CG 3.03Å; L2300-Q2304 PolarHBondContact O-N 3.04Å; L2300-S2710 WeakPolarHBondContact CD2-OG 3.27Å |
| 2301 | I | 90.3 | Very high | 88 | Confident | 102 Ų | 102 | 86.1 Ų | 86.1 | 52% | 0.523 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 175.6 | -68 | 167.1 | 0 | 0 | 0 | 110.1 | K2297 N2298 Q2303 Q2304 T2305 | K2297-I2301 WeakPolarHBondContact O-CB 3.07Å; K2297-I2301 WeakPolarHBondContact O-CD1 3.11Å; K2297-I2301 VanDerWaalsContact O-CG1 3.26Å; K2297-I2301 WeakPolarHBondContact O-CG1 3.29Å; K2297-I2301 PolarHBondContact O-N 3.2Å; K2297-I2301 VanDerWaalsContact O-N 3.16Å; N2298-I2301 PolarHBondContact O-N 3.39Å; I2301-Q2303 PolarHBondContact O-N 2.86Å; I2301-Q2304 CarbonylContact O-C 3.58Å; I2301-Q2304 PolarHBondContact O-N 2.99Å; I2301-T2305 HydrophobicContact CG2-CG2 4.22Å; I2301-T2305 WeakPolarHBondContact O-CB 3.34Å; I2301-T2305 VanDerWaalsContact O-CG2 3.24Å; I2301-T2305 WeakPolarHBondContact O-CG2 3.29Å; I2301-T2305 PolarHBondContact O-N 2.9Å; I2301-T2305 PolarHBondContact O-OG1 3.01Å |
| 2302 | R | 91 | Very high | 88.2 | Confident | 106 Ų | 106 | 87.4 Ų | 87.4 | 40% | 0.4 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60 | -47.8 | 176.4 | -167.3 | -172.2 | 72.7 | 85.1 | -0.2 | 111.5 | N2298 E2299 L2300 Q2304 T2305 E2306 V2856 | N2298-R2302 WeakPolarHBondContact O-CB 3.34Å; N2298-R2302 PolarHBondContact O-N 3.22Å; E2299-R2302 PolarHBondContact O-N 3.45Å; E2299-R2302 IonicContact OE1-CZ 3.69Å; E2299-R2302 IonicContact OE1-NE 3.01Å; E2299-R2302 PolarHBondContact OE1-NE 3.23Å; E2299-R2302 IonicContact OE1-NH2 3.64Å; E2299-R2302 PolarHBondContact OE1-NH2 3.1Å; E2299-R2302 WeakPolarHBondContact OE2-CD 3.49Å; E2299-R2302 IonicContact OE2-CZ 3Å; E2299-R2302 IonicContact OE2-NE 3.48Å; E2299-R2302 PolarHBondContact OE2-NE 3.08Å; E2299-R2302 IonicContact OE2-NH2 3.24Å; E2299-R2302 PolarHBondContact OE2-NH2 2.76Å; L2300-R2302 VanDerWaalsContact C-N 3.32Å; L2300-R2302 PolarHBondContact O-N 3.14Å; R2302-Q2304 VanDerWaalsContact C-N 3.32Å; R2302-Q2304 PolarHBondContact O-N 3.38Å; R2302-T2305 WeakPolarHBondContact CA-OG1 3.34Å; R2302-T2305 PolarHBondContact O-N 3.1Å; R2302-T2305 PolarHBondContact O-OG1 3.25Å; R2302-E2306 IonicContact CZ-OE2 3.15Å; R2302-E2306 IonicContact NH1-OE2 2.8Å; R2302-E2306 PolarHBondContact NH1-OE2 3.4Å; R2302-E2306 WeakPolarHBondContact O-CB 3.19Å; R2302-E2306 WeakPolarHBondContact O-CG 2.98Å; R2302-E2306 PolarHBondContact O-N 3.19Å; R2302-V2856 PolarHBondContact NH2-O 3.43Å |
| 2303 | Q | 89.5 | Confident | 88.5 | Confident | 46 Ų | 46 | 88.5 Ų | 88.5 | 22% | 0.215 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 176.7 | -72.9 | -176.7 | 2.7 | 0 | 0 | 111.7 | E2299 L2300 I2301 T2305 E2306 V2307 V2707 S2710 L2714 I2855 | E2299-Q2303 WeakPolarHBondContact O-CB 3.47Å; E2299-Q2303 VanDerWaalsContact O-CG 3.26Å; E2299-Q2303 WeakPolarHBondContact O-CG 3.27Å; E2299-Q2303 PolarHBondContact O-N 2.87Å; E2299-Q2303 PolarHBondContact OE1-NE2 3.02Å; L2300-Q2303 PolarHBondContact O-N 3.32Å; I2301-Q2303 PolarHBondContact O-N 2.86Å; Q2303-T2305 VanDerWaalsContact C-N 3.34Å; Q2303-T2305 PolarHBondContact O-N 3.4Å; Q2303-E2306 PolarHBondContact O-N 3.16Å; Q2303-V2307 WeakPolarHBondContact O-CB 3.35Å; Q2303-V2307 VanDerWaalsContact O-CG2 3.26Å; Q2303-V2307 WeakPolarHBondContact O-CG2 3.46Å; Q2303-V2307 PolarHBondContact O-N 3.2Å; Q2303-V2307 VanDerWaalsContact O-N 3.14Å; Q2303-V2707 PolarHBondContact NE2-O 3.4Å; Q2303-V2707 VanDerWaalsContact NE2-O 3.11Å; Q2303-S2710 PolarHBondContact OE1-OG 2.89Å; Q2303-L2714 HydrophobicContact CB-CD1 3.82Å; Q2303-I2855 HydrophobicContact CB-CG2 4.03Å; Q2303-I2855 HydrophobicContact CG-CG2 3.73Å |
| 2304 | Q | 88.9 | Confident | 88.6 | Confident | 127.333 Ų | 127.333 | 87.3 Ų | 87.3 | 60% | 0.595 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -67.3 | -37.5 | 177.4 | -110.8 | 166.7 | -29.7 | 0 | 0 | 113 | L2300 I2301 R2302 E2306 V2307 K2308 | L2300-Q2304 WeakPolarHBondContact O-CB 3.24Å; L2300-Q2304 VanDerWaalsContact O-CG 3.31Å; L2300-Q2304 WeakPolarHBondContact O-CG 3.03Å; L2300-Q2304 PolarHBondContact O-N 3.04Å; I2301-Q2304 CarbonylContact O-C 3.58Å; I2301-Q2304 PolarHBondContact O-N 2.99Å; R2302-Q2304 VanDerWaalsContact C-N 3.32Å; R2302-Q2304 PolarHBondContact O-N 3.38Å; Q2304-E2306 VanDerWaalsContact C-N 3.32Å; Q2304-V2307 PolarHBondContact O-N 3.41Å; Q2304-K2308 WeakPolarHBondContact O-CB 3.34Å; Q2304-K2308 PolarHBondContact O-N 3.14Å; Q2304-K2308 VanDerWaalsContact O-N 3.09Å |
| 2305 | T | 89.4 | Confident | 88.6 | Confident | 77.3333 Ų | 77.3333 | 86.1 Ų | 86.1 | 47% | 0.474 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67.8 | -37.2 | 174.9 | 48.7 | 0 | 0 | 0 | 0 | 112 | I2301 R2302 Q2303 K2308 R2309 | I2301-T2305 HydrophobicContact CG2-CG2 4.22Å; I2301-T2305 WeakPolarHBondContact O-CB 3.34Å; I2301-T2305 VanDerWaalsContact O-CG2 3.24Å; I2301-T2305 WeakPolarHBondContact O-CG2 3.29Å; I2301-T2305 PolarHBondContact O-N 2.9Å; I2301-T2305 PolarHBondContact O-OG1 3.01Å; R2302-T2305 WeakPolarHBondContact CA-OG1 3.34Å; R2302-T2305 PolarHBondContact O-N 3.1Å; R2302-T2305 PolarHBondContact O-OG1 3.25Å; Q2303-T2305 VanDerWaalsContact C-N 3.34Å; Q2303-T2305 PolarHBondContact O-N 3.4Å; T2305-K2308 CarbonylContact O-C 3.59Å; T2305-K2308 PolarHBondContact O-N 3.17Å; T2305-R2309 VanDerWaalsContact O-CB 3.24Å; T2305-R2309 WeakPolarHBondContact O-CB 3.44Å; T2305-R2309 PolarHBondContact O-N 2.95Å |
| 2306 | E | 88.5 | Confident | 88.6 | Confident | 85 Ų | 85 | 90.4 Ų | 90.4 | 40% | 0.397 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -69.3 | -42.5 | 176.8 | -130.9 | 60.9 | 176.7 | 0 | 0 | 111.9 | R2302 Q2303 Q2304 K2308 R2309 L2310 | R2302-E2306 IonicContact CZ-OE2 3.15Å; R2302-E2306 IonicContact NH1-OE2 2.8Å; R2302-E2306 PolarHBondContact NH1-OE2 3.4Å; R2302-E2306 WeakPolarHBondContact O-CB 3.19Å; R2302-E2306 WeakPolarHBondContact O-CG 2.98Å; R2302-E2306 PolarHBondContact O-N 3.19Å; Q2303-E2306 PolarHBondContact O-N 3.16Å; Q2304-E2306 VanDerWaalsContact C-N 3.32Å; E2306-K2308 VanDerWaalsContact C-N 3.26Å; E2306-K2308 PolarHBondContact O-N 3.26Å; E2306-R2309 WeakPolarHBondContact O-CB 3.34Å; E2306-R2309 PolarHBondContact O-N 3.21Å; E2306-R2309 VanDerWaalsContact O-N 3.08Å; E2306-R2309 WeakPolarHBondContact OE2-CD 3.42Å; E2306-L2310 HydrophobicContact CG-CD1 4.48Å; E2306-L2310 WeakPolarHBondContact O-CB 3.5Å; E2306-L2310 WeakPolarHBondContact O-CG 3.39Å; E2306-L2310 PolarHBondContact O-N 3.19Å |
| 2307 | V | 87.3 | Confident | 88.4 | Confident | 46.3333 Ų | 46.3333 | 89.8 Ų | 89.8 | 28% | 0.281 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.4 | -42.8 | 173.3 | 174 | 0 | 0 | 0 | 0 | 111.1 | Q2303 Q2304 R2309 L2310 R2311 L2714 E2718 I2855 | Q2303-V2307 WeakPolarHBondContact O-CB 3.35Å; Q2303-V2307 VanDerWaalsContact O-CG2 3.26Å; Q2303-V2307 WeakPolarHBondContact O-CG2 3.46Å; Q2303-V2307 PolarHBondContact O-N 3.2Å; Q2303-V2307 VanDerWaalsContact O-N 3.14Å; Q2304-V2307 PolarHBondContact O-N 3.41Å; V2307-R2309 VanDerWaalsContact C-N 3.29Å; V2307-R2309 PolarHBondContact O-N 3.32Å; V2307-L2310 PolarHBondContact O-N 3.12Å; V2307-R2311 WeakPolarHBondContact O-CB 3.34Å; V2307-R2311 PolarHBondContact O-N 2.99Å; V2307-L2714 HydrophobicContact CG2-CB 4.19Å; V2307-L2714 HydrophobicContact CG2-CD1 4.02Å; V2307-L2714 HydrophobicContact CG2-CD2 3.96Å; V2307-L2714 HydrophobicContact CG2-CG 4.28Å; V2307-E2718 HydrophobicContact CG1-CB 4.18Å; V2307-I2855 HydrophobicContact CG2-CD1 3.21Å; V2307-I2855 HydrophobicContact CG2-CG1 4.29Å |
| 2308 | K | 88.1 | Confident | 88.2 | Confident | 147 Ų | 147 | 84.8 Ų | 84.8 | 64% | 0.639 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64.7 | -36.8 | 175.7 | -146.9 | 176.8 | -179.5 | 175.9 | 0 | 112.1 | Q2304 T2305 E2306 R2311 N2312 | Q2304-K2308 WeakPolarHBondContact O-CB 3.34Å; Q2304-K2308 PolarHBondContact O-N 3.14Å; Q2304-K2308 VanDerWaalsContact O-N 3.09Å; T2305-K2308 CarbonylContact O-C 3.59Å; T2305-K2308 PolarHBondContact O-N 3.17Å; E2306-K2308 VanDerWaalsContact C-N 3.26Å; E2306-K2308 PolarHBondContact O-N 3.26Å; K2308-R2311 PolarHBondContact O-N 3.49Å; K2308-N2312 WeakPolarHBondContact O-CB 3.42Å; K2308-N2312 PolarHBondContact O-N 2.91Å; K2308-N2312 VanDerWaalsContact O-N 3.12Å; K2308-N2312 PolarHBondContact O-ND2 2.94Å |
| 2309 | R | 88.7 | Confident | 88 | Confident | 136.333 Ų | 136.333 | 86.1 Ų | 86.1 | 51% | 0.514 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.4 | -48.5 | 175.2 | -175.5 | -172.3 | 174.6 | 93.9 | 7.4 | 110.9 | D1950 T2305 E2306 V2307 R2311 N2312 I2313 | D1950-R2309 IonicContact OD1-CZ 3.03Å; D1950-R2309 IonicContact OD1-NH1 3.27Å; D1950-R2309 PolarHBondContact OD1-NH1 2.79Å; D1950-R2309 IonicContact OD1-NH2 2.67Å; D1950-R2309 PolarHBondContact OD1-NH2 2.78Å; D1950-R2309 IonicContact OD2-CZ 3.89Å; D1950-R2309 IonicContact OD2-NH1 2.91Å; D1950-R2309 PolarHBondContact OD2-NH1 2.8Å; D1950-R2309 IonicContact OD2-NH2 3.91Å; T2305-R2309 VanDerWaalsContact O-CB 3.24Å; T2305-R2309 WeakPolarHBondContact O-CB 3.44Å; T2305-R2309 PolarHBondContact O-N 2.95Å; E2306-R2309 WeakPolarHBondContact O-CB 3.34Å; E2306-R2309 PolarHBondContact O-N 3.21Å; E2306-R2309 VanDerWaalsContact O-N 3.08Å; E2306-R2309 WeakPolarHBondContact OE2-CD 3.42Å; V2307-R2309 VanDerWaalsContact C-N 3.29Å; V2307-R2309 PolarHBondContact O-N 3.32Å; R2309-R2311 VanDerWaalsContact C-N 3.33Å; R2309-R2311 PolarHBondContact O-N 2.84Å; R2309-N2312 PolarHBondContact O-N 3.08Å; R2309-N2312 VanDerWaalsContact O-N 3.16Å; R2309-I2313 HydrophobicContact CG-CD1 4.07Å; R2309-I2313 VanDerWaalsContact O-CG1 3.31Å; R2309-I2313 WeakPolarHBondContact O-CG1 3.34Å; R2309-I2313 PolarHBondContact O-N 3.05Å |
| 2310 | L | 85.8 | Confident | 87.9 | Confident | 66 Ų | 66 | 86.9 Ų | 86.9 | 35% | 0.346 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -58.8 | -45.1 | 175.6 | -73.7 | 170.5 | 0 | 0 | 0 | 111.4 | E2306 V2307 N2312 I2313 C2314 L2719 P2851 | E2306-L2310 HydrophobicContact CG-CD1 4.48Å; E2306-L2310 WeakPolarHBondContact O-CB 3.5Å; E2306-L2310 WeakPolarHBondContact O-CG 3.39Å; E2306-L2310 PolarHBondContact O-N 3.19Å; V2307-L2310 PolarHBondContact O-N 3.12Å; L2310-N2312 PolarHBondContact O-N 2.85Å; L2310-I2313 PolarHBondContact O-N 3.11Å; L2310-I2313 VanDerWaalsContact O-N 3.14Å; L2310-C2314 VanDerWaalsContact O-CB 3.31Å; L2310-C2314 WeakPolarHBondContact O-CB 3.27Å; L2310-C2314 PolarHBondContact O-N 3.26Å; L2310-C2314 PolarHBondContact O-SG 2.88Å; L2310-L2719 HydrophobicContact CD1-CD2 4.16Å; L2310-P2851 WeakPolarHBondContact CD2-O 3.36Å |
| 2311 | R | 88.7 | Confident | 87.5 | Confident | 127 Ų | 127 | 87.5 Ų | 87.5 | 48% | 0.479 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -58.3 | -48.8 | 175 | -176.2 | 171.5 | -165.2 | 149 | 4 | 112.2 | V2307 K2308 R2309 I2313 C2314 D2315 E2718 L2722 | V2307-R2311 WeakPolarHBondContact O-CB 3.34Å; V2307-R2311 PolarHBondContact O-N 2.99Å; K2308-R2311 PolarHBondContact O-N 3.49Å; R2309-R2311 VanDerWaalsContact C-N 3.33Å; R2309-R2311 PolarHBondContact O-N 2.84Å; R2311-I2313 VanDerWaalsContact C-N 3.29Å; R2311-I2313 PolarHBondContact O-N 2.92Å; R2311-C2314 WeakPolarHBondContact O-CB 3.44Å; R2311-C2314 PolarHBondContact O-N 3.04Å; R2311-C2314 VanDerWaalsContact O-N 3.12Å; R2311-D2315 WeakPolarHBondContact CG-OD2 3.26Å; R2311-D2315 IonicContact NE-OD2 2.74Å; R2311-D2315 WeakPolarHBondContact O-CB 3.25Å; R2311-D2315 VanDerWaalsContact O-CG 3.27Å; R2311-D2315 PolarHBondContact O-N 3.08Å; R2311-E2718 IonicContact NH1-OE2 3.91Å; R2311-L2722 HydrophobicContact CB-CD1 4.45Å; R2311-L2722 HydrophobicContact CB-CD2 4.31Å; R2311-L2722 HydrophobicContact CG-CD1 4.03Å |
| 2312 | N | 88.9 | Confident | 87.2 | Confident | 80.6667 Ų | 80.6667 | 85.8 Ų | 85.8 | 43% | 0.431 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.4 | -33.4 | 177.1 | -83.5 | -21.4 | 0 | 0 | 0 | 113.3 | K2308 R2309 L2310 R2316 | K2308-N2312 WeakPolarHBondContact O-CB 3.42Å; K2308-N2312 PolarHBondContact O-N 2.91Å; K2308-N2312 VanDerWaalsContact O-N 3.12Å; K2308-N2312 PolarHBondContact O-ND2 2.94Å; R2309-N2312 PolarHBondContact O-N 3.08Å; R2309-N2312 VanDerWaalsContact O-N 3.16Å; L2310-N2312 PolarHBondContact O-N 2.85Å; N2312-R2316 WeakPolarHBondContact O-CB 3.2Å; N2312-R2316 VanDerWaalsContact O-CD 3.27Å; N2312-R2316 WeakPolarHBondContact O-CD 3.04Å; N2312-R2316 VanDerWaalsContact O-CG 3.29Å; N2312-R2316 WeakPolarHBondContact O-CG 3.37Å; N2312-R2316 PolarHBondContact O-N 3.2Å |
| 2313 | I | 88.4 | Confident | 86.8 | Confident | 72 Ų | 72 | 86.1 Ų | 86.1 | 37% | 0.369 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -70.1 | -43.5 | 175 | -68.6 | 165.7 | 0 | 0 | 0 | 109.9 | R2309 L2310 R2311 R2316 S2317 | R2309-I2313 HydrophobicContact CG-CD1 4.07Å; R2309-I2313 VanDerWaalsContact O-CG1 3.31Å; R2309-I2313 WeakPolarHBondContact O-CG1 3.34Å; R2309-I2313 PolarHBondContact O-N 3.05Å; L2310-I2313 PolarHBondContact O-N 3.11Å; L2310-I2313 VanDerWaalsContact O-N 3.14Å; R2311-I2313 VanDerWaalsContact C-N 3.29Å; R2311-I2313 PolarHBondContact O-N 2.92Å; I2313-R2316 PolarHBondContact O-N 3.15Å; I2313-S2317 WeakPolarHBondContact O-CB 3.46Å; I2313-S2317 PolarHBondContact O-N 2.98Å; I2313-S2317 PolarHBondContact O-OG 2.79Å |
| 2314 | C | 86.8 | Confident | 86.5 | Confident | 33.6667 Ų | 33.6667 | 88.4 Ų | 88.4 | 23% | 0.227 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -65.8 | -45.2 | 178.7 | -136.1 | 0 | 0 | 0 | 0 | 111.7 | L2310 R2311 R2316 S2317 V2318 L2722 V2726 C2850 | L2310-C2314 VanDerWaalsContact O-CB 3.31Å; L2310-C2314 WeakPolarHBondContact O-CB 3.27Å; L2310-C2314 PolarHBondContact O-N 3.26Å; L2310-C2314 PolarHBondContact O-SG 2.88Å; R2311-C2314 WeakPolarHBondContact O-CB 3.44Å; R2311-C2314 PolarHBondContact O-N 3.04Å; R2311-C2314 VanDerWaalsContact O-N 3.12Å; C2314-R2316 VanDerWaalsContact C-N 3.33Å; C2314-R2316 PolarHBondContact O-N 3.17Å; C2314-S2317 WeakPolarHBondContact CA-OG 3.33Å; C2314-S2317 WeakPolarHBondContact O-CA 3.36Å; C2314-S2317 WeakPolarHBondContact O-CB 3.28Å; C2314-S2317 PolarHBondContact O-N 3.11Å; C2314-S2317 VanDerWaalsContact O-N 3.11Å; C2314-S2317 PolarHBondContact O-OG 3Å; C2314-S2317 VanDerWaalsContact O-OG 3.11Å; C2314-V2318 VanDerWaalsContact O-CB 3.29Å; C2314-V2318 WeakPolarHBondContact O-CB 3.32Å; C2314-V2318 VanDerWaalsContact O-CG2 3.24Å; C2314-V2318 WeakPolarHBondContact O-CG2 3.35Å; C2314-V2318 PolarHBondContact O-N 3.03Å; C2314-L2722 HydrophobicContact CB-CD1 4.5Å; C2314-L2722 HydrophobicContact CB-CD2 4.37Å; C2314-V2726 HydrophobicContact CB-CG2 4.08Å; C2314-C2850 HydrophobicContact CB-CB 3.97Å; C2314-C2850 WeakPolarHBondContact CB-SG 3.34Å; C2314-C2850 WeakPolarHBondContact SG-CB 3.19Å; C2314-C2850 CovalentContact SG-SG 2.03Å; C2314-C2850 PolarHBondContact SG-SG 3.48Å |
| 2315 | D | 87.5 | Confident | 85.9 | Confident | 77.6667 Ų | 77.6667 | 84.8 Ų | 84.8 | 42% | 0.415 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -58.7 | -41.9 | 175.5 | -71.8 | -23.3 | 0 | 0 | 0 | 111.1 | R2311 S2317 V2318 E2319 | R2311-D2315 WeakPolarHBondContact CG-OD2 3.26Å; R2311-D2315 IonicContact NE-OD2 2.74Å; R2311-D2315 WeakPolarHBondContact O-CB 3.25Å; R2311-D2315 VanDerWaalsContact O-CG 3.27Å; R2311-D2315 PolarHBondContact O-N 3.08Å; D2315-S2317 VanDerWaalsContact C-N 3.31Å; D2315-S2317 PolarHBondContact O-N 3.19Å; D2315-V2318 PolarHBondContact O-N 3.06Å; D2315-E2319 VanDerWaalsContact O-CB 3.27Å; D2315-E2319 WeakPolarHBondContact O-CB 3.45Å; D2315-E2319 PolarHBondContact O-N 2.84Å |
| 2316 | R | 87 | Confident | 85.5 | Confident | 184.333 Ų | 184.333 | 84.2 Ų | 84.2 | 70% | 0.696 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -66.8 | -37.1 | 174.1 | -73.9 | 176.2 | -171.9 | 171.6 | 2.4 | 113.3 | N2312 I2313 C2314 E2319 A2320 | N2312-R2316 WeakPolarHBondContact O-CB 3.2Å; N2312-R2316 VanDerWaalsContact O-CD 3.27Å; N2312-R2316 WeakPolarHBondContact O-CD 3.04Å; N2312-R2316 VanDerWaalsContact O-CG 3.29Å; N2312-R2316 WeakPolarHBondContact O-CG 3.37Å; N2312-R2316 PolarHBondContact O-N 3.2Å; I2313-R2316 PolarHBondContact O-N 3.15Å; C2314-R2316 VanDerWaalsContact C-N 3.33Å; C2314-R2316 PolarHBondContact O-N 3.17Å; R2316-E2319 PolarHBondContact O-N 2.82Å; R2316-A2320 VanDerWaalsContact O-CB 3.24Å; R2316-A2320 WeakPolarHBondContact O-CB 3.4Å; R2316-A2320 PolarHBondContact O-N 2.82Å |
| 2317 | S | 85.1 | Confident | 85.1 | Confident | 39.3333 Ų | 39.3333 | 86.3 Ų | 86.3 | 28% | 0.275 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -69.8 | -37.7 | 177.9 | 73.7 | 0 | 0 | 0 | 0 | 111.4 | I2313 C2314 D2315 A2320 M2321 P2848 | I2313-S2317 WeakPolarHBondContact O-CB 3.46Å; I2313-S2317 PolarHBondContact O-N 2.98Å; I2313-S2317 PolarHBondContact O-OG 2.79Å; C2314-S2317 WeakPolarHBondContact CA-OG 3.33Å; C2314-S2317 WeakPolarHBondContact O-CA 3.36Å; C2314-S2317 WeakPolarHBondContact O-CB 3.28Å; C2314-S2317 PolarHBondContact O-N 3.11Å; C2314-S2317 VanDerWaalsContact O-N 3.11Å; C2314-S2317 PolarHBondContact O-OG 3Å; C2314-S2317 VanDerWaalsContact O-OG 3.11Å; D2315-S2317 VanDerWaalsContact C-N 3.31Å; D2315-S2317 PolarHBondContact O-N 3.19Å; S2317-A2320 PolarHBondContact O-N 2.93Å; S2317-M2321 WeakPolarHBondContact O-CB 3.36Å; S2317-M2321 VanDerWaalsContact O-CG 3.3Å; S2317-M2321 WeakPolarHBondContact O-CG 3.15Å; S2317-M2321 PolarHBondContact O-N 2.99Å; S2317-P2848 WeakPolarHBondContact O-CG 3.41Å |
| 2318 | V | 85.5 | Confident | 84.5 | Confident | 30 Ų | 30 | 90.7 Ų | 90.7 | 18% | 0.182 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -64.3 | -45.5 | 173.3 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | C2314 D2315 A2320 M2321 F2322 V2726 R2729 | C2314-V2318 VanDerWaalsContact O-CB 3.29Å; C2314-V2318 WeakPolarHBondContact O-CB 3.32Å; C2314-V2318 VanDerWaalsContact O-CG2 3.24Å; C2314-V2318 WeakPolarHBondContact O-CG2 3.35Å; C2314-V2318 PolarHBondContact O-N 3.03Å; D2315-V2318 PolarHBondContact O-N 3.06Å; V2318-A2320 PolarHBondContact O-N 3.22Å; V2318-M2321 HydrophobicContact CG2-CE 4.31Å; V2318-M2321 WeakPolarHBondContact O-CB 3.41Å; V2318-M2321 PolarHBondContact O-N 3.08Å; V2318-F2322 HydrophobicContact CG1-CD2 3.77Å; V2318-F2322 HydrophobicContact CG1-CE2 3.54Å; V2318-F2322 HydrophobicContact CG1-CZ 4.12Å; V2318-F2322 VanDerWaalsContact O-CD2 3.26Å; V2318-F2322 WeakPolarHBondContact O-CD2 3.42Å; V2318-F2322 PolarHBondContact O-N 3.01Å; V2318-V2726 HydrophobicContact CG2-CB 4.49Å; V2318-V2726 HydrophobicContact CG2-CG1 4.07Å; V2318-V2726 HydrophobicContact CG2-CG2 4.15Å; V2318-R2729 HydrophobicContact CG1-CB 4.18Å; V2318-R2729 HydrophobicContact CG1-CG 4.39Å |
| 2319 | E | 86 | Confident | 83.8 | Confident | 129.333 Ų | 129.333 | 85.9 Ų | 85.9 | 60% | 0.604 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -62.6 | -41.9 | 176.6 | -162.8 | 65 | -160.5 | 0 | 0 | 112 | D2315 R2316 M2321 F2322 E2323 | D2315-E2319 VanDerWaalsContact O-CB 3.27Å; D2315-E2319 WeakPolarHBondContact O-CB 3.45Å; D2315-E2319 PolarHBondContact O-N 2.84Å; R2316-E2319 PolarHBondContact O-N 2.82Å; E2319-M2321 VanDerWaalsContact C-N 3.32Å; E2319-M2321 PolarHBondContact O-N 2.75Å; E2319-F2322 PolarHBondContact O-N 2.91Å; E2319-E2323 PolarHBondContact O-N 2.85Å |
| 2320 | A | 85.8 | Confident | 83 | Confident | 51.3333 Ų | 51.3333 | 82.4 Ų | 82.4 | 42% | 0.424 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.6 | -37 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R2316 S2317 V2318 E2323 Q2324 | R2316-A2320 VanDerWaalsContact O-CB 3.24Å; R2316-A2320 WeakPolarHBondContact O-CB 3.4Å; R2316-A2320 PolarHBondContact O-N 2.82Å; S2317-A2320 PolarHBondContact O-N 2.93Å; V2318-A2320 PolarHBondContact O-N 3.22Å; A2320-E2323 PolarHBondContact O-N 2.8Å; A2320-Q2324 WeakPolarHBondContact O-CB 3.25Å; A2320-Q2324 PolarHBondContact O-N 3.03Å |
| 2321 | M | 80.4 | Confident | 82.4 | Confident | 72.3333 Ų | 72.3333 | 82.1 Ų | 82.1 | 36% | 0.356 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.8 | -41.2 | 172.3 | -109.7 | -160.4 | -66.9 | 0 | 0 | 111.5 | S2317 V2318 E2319 E2323 Q2324 M2325 L2730 T2733 I2845 P2848 | S2317-M2321 WeakPolarHBondContact O-CB 3.36Å; S2317-M2321 VanDerWaalsContact O-CG 3.3Å; S2317-M2321 WeakPolarHBondContact O-CG 3.15Å; S2317-M2321 PolarHBondContact O-N 2.99Å; V2318-M2321 HydrophobicContact CG2-CE 4.31Å; V2318-M2321 WeakPolarHBondContact O-CB 3.41Å; V2318-M2321 PolarHBondContact O-N 3.08Å; E2319-M2321 VanDerWaalsContact C-N 3.32Å; E2319-M2321 PolarHBondContact O-N 2.75Å; M2321-E2323 VanDerWaalsContact C-N 3.34Å; M2321-Q2324 PolarHBondContact O-N 2.95Å; M2321-M2325 WeakPolarHBondContact O-CB 3.16Å; M2321-M2325 PolarHBondContact O-N 3.05Å; M2321-L2730 HydrophobicContact CE-CB 3.97Å; M2321-L2730 HydrophobicContact CE-CD1 3.57Å; M2321-L2730 HydrophobicContact CE-CG 4.38Å; M2321-L2730 HydrophobicContact SD-CD1 3.77Å; M2321-T2733 HydrophobicContact SD-CG2 3.82Å; M2321-T2733 PolarHBondContact SD-OG1 2.99Å; M2321-I2845 HydrophobicContact CG-CG2 4.02Å; M2321-P2848 HydrophobicContact CB-CG 4.07Å |
| 2322 | F | 83.1 | Confident | 81.4 | Confident | 66.3333 Ų | 66.3333 | 79.6 Ų | 79.6 | 29% | 0.291 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.7 | -41 | 174 | -81.8 | -62 | 0 | 0 | 0 | 112.3 | V2318 E2319 Q2324 M2325 N2326 T2733 | V2318-F2322 HydrophobicContact CG1-CD2 3.77Å; V2318-F2322 HydrophobicContact CG1-CE2 3.54Å; V2318-F2322 HydrophobicContact CG1-CZ 4.12Å; V2318-F2322 VanDerWaalsContact O-CD2 3.26Å; V2318-F2322 WeakPolarHBondContact O-CD2 3.42Å; V2318-F2322 PolarHBondContact O-N 3.01Å; E2319-F2322 PolarHBondContact O-N 2.91Å; F2322-Q2324 VanDerWaalsContact C-N 3.33Å; F2322-Q2324 PolarHBondContact O-N 2.78Å; F2322-M2325 HydrophobicContact CD1-CE 3.9Å; F2322-M2325 HydrophobicContact CD1-SD 4.43Å; F2322-M2325 HydrophobicContact CE1-CE 4.12Å; F2322-M2325 PolarHBondContact O-N 2.98Å; F2322-N2326 VanDerWaalsContact O-CB 3.26Å; F2322-N2326 WeakPolarHBondContact O-CB 3.26Å; F2322-N2326 VanDerWaalsContact O-CG 3.29Å; F2322-N2326 PolarHBondContact O-N 2.9Å; F2322-N2326 PolarHBondContact O-ND2 3.17Å; F2322-N2326 PolarHBondContact O-OD1 2.89Å; F2322-T2733 HydrophobicContact CD1-CG2 3.74Å; F2322-T2733 HydrophobicContact CD2-CG2 4.43Å; F2322-T2733 HydrophobicContact CE1-CG2 3.27Å; F2322-T2733 HydrophobicContact CE2-CG2 4.02Å; F2322-T2733 HydrophobicContact CG-CG2 4.28Å; F2322-T2733 HydrophobicContact CZ-CG2 3.42Å; F2322-T2733 VanDerWaalsContact CZ-CG2 3.42Å |
| 2323 | E | 82.7 | Confident | 80.5 | Confident | 113.333 Ų | 113.333 | 76.9 Ų | 76.9 | 53% | 0.53 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64 | -39.6 | 175 | -135.6 | -167.4 | 160.3 | 0 | 0 | 111.8 | E2319 A2320 M2321 N2326 K2327 | E2319-E2323 PolarHBondContact O-N 2.85Å; A2320-E2323 PolarHBondContact O-N 2.8Å; M2321-E2323 VanDerWaalsContact C-N 3.34Å; E2323-N2326 PolarHBondContact O-N 2.87Å; E2323-K2327 WeakPolarHBondContact O-CB 3.37Å; E2323-K2327 WeakPolarHBondContact O-CD 3.42Å; E2323-K2327 WeakPolarHBondContact O-CG 3.2Å; E2323-K2327 PolarHBondContact O-N 3.03Å; E2323-K2327 VanDerWaalsContact OE1-CE 3.23Å; E2323-K2327 WeakPolarHBondContact OE1-CE 3.15Å; E2323-K2327 IonicContact OE1-NZ 2.79Å; E2323-K2327 PolarHBondContact OE1-NZ 3.14Å; E2323-K2327 IonicContact OE2-NZ 3.48Å; E2323-K2327 PolarHBondContact OE2-NZ 2.89Å |
| 2324 | Q | 83.5 | Confident | 79.6 | Confident | 93.6667 Ų | 93.6667 | 76.1 Ų | 76.1 | 44% | 0.438 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68.7 | -39.5 | 175.2 | -169.6 | 174.4 | 16.1 | 0 | 0 | 112 | A2320 M2321 F2322 K2327 R2328 D2846 | A2320-Q2324 WeakPolarHBondContact O-CB 3.25Å; A2320-Q2324 PolarHBondContact O-N 3.03Å; M2321-Q2324 PolarHBondContact O-N 2.95Å; F2322-Q2324 VanDerWaalsContact C-N 3.33Å; F2322-Q2324 PolarHBondContact O-N 2.78Å; Q2324-K2327 PolarHBondContact O-N 3.03Å; Q2324-R2328 WeakPolarHBondContact O-CB 3.49Å; Q2324-R2328 VanDerWaalsContact O-CG 3.28Å; Q2324-R2328 WeakPolarHBondContact O-CG 3.42Å; Q2324-R2328 PolarHBondContact O-N 3.03Å; Q2324-R2328 VanDerWaalsContact O-N 3.14Å; Q2324-D2846 PolarHBondContact OE1-O 2.83Å |
| 2325 | M | 77.7 | Confident | 78.6 | Confident | 51.3333 Ų | 51.3333 | 79.4 Ų | 79.4 | 25% | 0.253 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.2 | -48 | 173.6 | -177.4 | 178.3 | 101.2 | 0 | 0 | 110.4 | M2321 F2322 K2327 R2328 L2329 T2733 I2845 | M2321-M2325 WeakPolarHBondContact O-CB 3.16Å; M2321-M2325 PolarHBondContact O-N 3.05Å; F2322-M2325 HydrophobicContact CD1-CE 3.9Å; F2322-M2325 HydrophobicContact CD1-SD 4.43Å; F2322-M2325 HydrophobicContact CE1-CE 4.12Å; F2322-M2325 PolarHBondContact O-N 2.98Å; M2325-K2327 PolarHBondContact O-N 2.85Å; M2325-R2328 CarbonylContact O-C 3.51Å; M2325-R2328 WeakPolarHBondContact O-CA 3.27Å; M2325-R2328 WeakPolarHBondContact O-CB 3.34Å; M2325-R2328 PolarHBondContact O-N 2.99Å; M2325-L2329 HydrophobicContact CE-CD1 4.02Å; M2325-L2329 HydrophobicContact CG-CD1 3.9Å; M2325-L2329 HydrophobicContact CG-CG 4.2Å; M2325-L2329 WeakPolarHBondContact O-CB 3.35Å; M2325-L2329 VanDerWaalsContact O-CG 3.31Å; M2325-L2329 WeakPolarHBondContact O-CG 3.23Å; M2325-L2329 PolarHBondContact O-N 3.13Å; M2325-L2329 HydrophobicContact SD-CD1 4.47Å; M2325-T2733 HydrophobicContact CE-CG2 4.45Å; M2325-T2733 HydrophobicContact SD-CG2 3.8Å; M2325-I2845 HydrophobicContact CB-CD1 4.49Å |
| 2326 | N | 79.6 | Confident | 77.5 | Confident | 64.3333 Ų | 64.3333 | 76.7 Ų | 76.7 | 34% | 0.344 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.3 | -45.6 | 176.8 | -73.2 | -15.3 | 0 | 0 | 0 | 111.6 | F2322 E2323 R2328 L2329 D2330 Y2490 | F2322-N2326 VanDerWaalsContact O-CB 3.26Å; F2322-N2326 WeakPolarHBondContact O-CB 3.26Å; F2322-N2326 VanDerWaalsContact O-CG 3.29Å; F2322-N2326 PolarHBondContact O-N 2.9Å; F2322-N2326 PolarHBondContact O-ND2 3.17Å; F2322-N2326 PolarHBondContact O-OD1 2.89Å; E2323-N2326 PolarHBondContact O-N 2.87Å; N2326-R2328 VanDerWaalsContact C-N 3.32Å; N2326-R2328 PolarHBondContact O-N 2.98Å; N2326-L2329 CarbonylContact O-C 3.52Å; N2326-L2329 WeakPolarHBondContact O-CB 3.26Å; N2326-L2329 PolarHBondContact O-N 3.16Å; N2326-D2330 WeakPolarHBondContact O-CB 3.23Å; N2326-D2330 PolarHBondContact O-N 2.94Å; N2326-Y2490 HydrophobicContact CB-CD1 4.15Å; N2326-Y2490 HydrophobicContact CB-CE1 4.27Å; N2326-Y2490 VanDerWaalsContact OD1-CE1 3.26Å; N2326-Y2490 WeakPolarHBondContact OD1-CE1 3.2Å |
| 2327 | K | 80.3 | Confident | 76.2 | Confident | 131 Ų | 131 | 69.2 Ų | 69.2 | 57% | 0.57 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -60 | -37.6 | 174.1 | -75.7 | 170.3 | -175.8 | 164.8 | 0 | 112.7 | E2323 Q2324 M2325 D2330 S2331 | E2323-K2327 WeakPolarHBondContact O-CB 3.37Å; E2323-K2327 WeakPolarHBondContact O-CD 3.42Å; E2323-K2327 WeakPolarHBondContact O-CG 3.2Å; E2323-K2327 PolarHBondContact O-N 3.03Å; E2323-K2327 VanDerWaalsContact OE1-CE 3.23Å; E2323-K2327 WeakPolarHBondContact OE1-CE 3.15Å; E2323-K2327 IonicContact OE1-NZ 2.79Å; E2323-K2327 PolarHBondContact OE1-NZ 3.14Å; E2323-K2327 IonicContact OE2-NZ 3.48Å; E2323-K2327 PolarHBondContact OE2-NZ 2.89Å; Q2324-K2327 PolarHBondContact O-N 3.03Å; M2325-K2327 PolarHBondContact O-N 2.85Å; K2327-D2330 PolarHBondContact O-N 3.23Å; K2327-S2331 WeakPolarHBondContact O-CB 3.25Å; K2327-S2331 PolarHBondContact O-N 3.19Å; K2327-S2331 PolarHBondContact O-OG 3.36Å |
| 2328 | R | 75.6 | Confident | 75.2 | Confident | 138.333 Ų | 138.333 | 69.2 Ų | 69.2 | 52% | 0.522 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -70.6 | -42.3 | 174.2 | -74.8 | -138.7 | -177.7 | -173.4 | 4 | 111.6 | Q2324 M2325 N2326 D2330 S2331 I2332 | Q2324-R2328 WeakPolarHBondContact O-CB 3.49Å; Q2324-R2328 VanDerWaalsContact O-CG 3.28Å; Q2324-R2328 WeakPolarHBondContact O-CG 3.42Å; Q2324-R2328 PolarHBondContact O-N 3.03Å; Q2324-R2328 VanDerWaalsContact O-N 3.14Å; M2325-R2328 CarbonylContact O-C 3.51Å; M2325-R2328 WeakPolarHBondContact O-CA 3.27Å; M2325-R2328 WeakPolarHBondContact O-CB 3.34Å; M2325-R2328 PolarHBondContact O-N 2.99Å; N2326-R2328 VanDerWaalsContact C-N 3.32Å; N2326-R2328 PolarHBondContact O-N 2.98Å; R2328-D2330 VanDerWaalsContact C-N 3.31Å; R2328-D2330 PolarHBondContact O-N 3.29Å; R2328-S2331 WeakPolarHBondContact CA-OG 3.39Å; R2328-S2331 CarbonylContact O-C 3.6Å; R2328-S2331 PolarHBondContact O-N 3.12Å; R2328-S2331 VanDerWaalsContact O-N 3.15Å; R2328-S2331 PolarHBondContact O-OG 3.16Å; R2328-I2332 HydrophobicContact CB-CD1 4.46Å; R2328-I2332 WeakPolarHBondContact O-CB 3.07Å; R2328-I2332 WeakPolarHBondContact O-CD1 3.45Å; R2328-I2332 WeakPolarHBondContact O-CG1 3.24Å; R2328-I2332 PolarHBondContact O-N 3.13Å |
| 2329 | L | 73.7 | Confident | 73.9 | Confident | 46.3333 Ų | 46.3333 | 73.9 Ų | 73.9 | 24% | 0.243 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -58.6 | -44.4 | 175 | -92.5 | 149.2 | 0 | 0 | 0 | 110.7 | M2325 N2326 S2331 I2332 S2333 Y2490 L2737 W2740 | M2325-L2329 HydrophobicContact CE-CD1 4.02Å; M2325-L2329 HydrophobicContact CG-CD1 3.9Å; M2325-L2329 HydrophobicContact CG-CG 4.2Å; M2325-L2329 WeakPolarHBondContact O-CB 3.35Å; M2325-L2329 VanDerWaalsContact O-CG 3.31Å; M2325-L2329 WeakPolarHBondContact O-CG 3.23Å; M2325-L2329 PolarHBondContact O-N 3.13Å; M2325-L2329 HydrophobicContact SD-CD1 4.47Å; N2326-L2329 CarbonylContact O-C 3.52Å; N2326-L2329 WeakPolarHBondContact O-CB 3.26Å; N2326-L2329 PolarHBondContact O-N 3.16Å; L2329-S2331 PolarHBondContact O-N 2.92Å; L2329-I2332 PolarHBondContact O-N 3.08Å; L2329-S2333 WeakPolarHBondContact O-CA 3.39Å; L2329-S2333 VanDerWaalsContact O-CB 3.23Å; L2329-S2333 WeakPolarHBondContact O-CB 3.21Å; L2329-S2333 PolarHBondContact O-N 3.3Å; L2329-S2333 PolarHBondContact O-OG 3.09Å; L2329-Y2490 HydrophobicContact CB-CD1 4.46Å; L2329-Y2490 HydrophobicContact CB-CD2 4.08Å; L2329-Y2490 HydrophobicContact CB-CE2 4.31Å; L2329-Y2490 HydrophobicContact CB-CG 4.17Å; L2329-Y2490 HydrophobicContact CD1-CD1 4.41Å; L2329-Y2490 HydrophobicContact CD1-CD2 4.3Å; L2329-Y2490 HydrophobicContact CD1-CE1 3.83Å; L2329-Y2490 HydrophobicContact CD1-CE2 3.71Å; L2329-Y2490 VanDerWaalsContact CD1-CZ 3.45Å; L2329-L2737 HydrophobicContact CD2-CD1 3.82Å; L2329-L2737 HydrophobicContact CG-CD1 4.24Å; L2329-W2740 HydrophobicContact CD2-CB 3.87Å; L2329-W2740 HydrophobicContact CD2-CD2 4.44Å; L2329-W2740 HydrophobicContact CD2-CG 3.6Å |
| 2330 | D | 72 | Confident | 72.6 | Confident | 61.3333 Ų | 61.3333 | 74.1 Ų | 74.1 | 33% | 0.328 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 173.2 | -82.7 | -32.2 | 0 | 0 | 0 | 111.8 | N2326 K2327 R2328 I2332 S2333 S2334 Y2490 F2493 | N2326-D2330 WeakPolarHBondContact O-CB 3.23Å; N2326-D2330 PolarHBondContact O-N 2.94Å; K2327-D2330 PolarHBondContact O-N 3.23Å; R2328-D2330 VanDerWaalsContact C-N 3.31Å; R2328-D2330 PolarHBondContact O-N 3.29Å; D2330-I2332 VanDerWaalsContact C-N 3.27Å; D2330-I2332 PolarHBondContact O-N 2.81Å; D2330-S2333 VanDerWaalsContact C-OG 3.32Å; D2330-S2333 VanDerWaalsContact CA-OG 3.23Å; D2330-S2333 WeakPolarHBondContact CA-OG 3.35Å; D2330-S2333 CarbonylContact O-C 3.49Å; D2330-S2333 WeakPolarHBondContact O-CA 3.34Å; D2330-S2333 WeakPolarHBondContact O-CB 3.43Å; D2330-S2333 PolarHBondContact O-N 3.15Å; D2330-S2333 VanDerWaalsContact O-N 3.07Å; D2330-S2333 PolarHBondContact O-OG 3.24Å; D2330-S2334 WeakPolarHBondContact O-CB 3.23Å; D2330-S2334 PolarHBondContact O-N 3.11Å; D2330-S2334 PolarHBondContact O-OG 3.27Å; D2330-Y2490 VanDerWaalsContact OD1-CB 3.23Å; D2330-Y2490 WeakPolarHBondContact OD1-CB 3.36Å; D2330-Y2490 PolarHBondContact OD1-N 2.85Å; D2330-Y2490 PolarHBondContact OD1-OH 2.82Å; D2330-F2493 WeakPolarHBondContact OD1-CB 3.46Å; D2330-F2493 WeakPolarHBondContact OD1-CD2 3.42Å; D2330-F2493 PolarHBondContact OD1-N 3.2Å |
| 2331 | S | 72.2 | Confident | 71.4 | Confident | 60.3333 Ų | 60.3333 | 73.4 Ų | 73.4 | 42% | 0.422 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.6 | -34.5 | 178.1 | 73.2 | 0 | 0 | 0 | 0 | 113.4 | K2327 R2328 L2329 S2333 S2334 L2335 | K2327-S2331 WeakPolarHBondContact O-CB 3.25Å; K2327-S2331 PolarHBondContact O-N 3.19Å; K2327-S2331 PolarHBondContact O-OG 3.36Å; R2328-S2331 WeakPolarHBondContact CA-OG 3.39Å; R2328-S2331 CarbonylContact O-C 3.6Å; R2328-S2331 PolarHBondContact O-N 3.12Å; R2328-S2331 VanDerWaalsContact O-N 3.15Å; R2328-S2331 PolarHBondContact O-OG 3.16Å; L2329-S2331 PolarHBondContact O-N 2.92Å; S2331-S2333 VanDerWaalsContact C-N 3.3Å; S2331-S2334 PolarHBondContact O-N 2.68Å; S2331-S2334 PolarHBondContact O-OG 3.13Å; S2331-L2335 VanDerWaalsContact O-CB 3.31Å; S2331-L2335 WeakPolarHBondContact O-CB 3.36Å; S2331-L2335 PolarHBondContact O-N 3.28Å |
| 2332 | I | 68 | Low | 70.3 | Confident | 74.3333 Ų | 74.3333 | 75.9 Ų | 75.9 | 38% | 0.381 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -76.7 | -37.7 | 176.2 | -66.1 | 164.4 | 0 | 0 | 0 | 109.7 | R2328 L2329 D2330 S2334 L2335 S2336 L2737 T2741 L2744 A2842 | R2328-I2332 HydrophobicContact CB-CD1 4.46Å; R2328-I2332 WeakPolarHBondContact O-CB 3.07Å; R2328-I2332 WeakPolarHBondContact O-CD1 3.45Å; R2328-I2332 WeakPolarHBondContact O-CG1 3.24Å; R2328-I2332 PolarHBondContact O-N 3.13Å; L2329-I2332 PolarHBondContact O-N 3.08Å; D2330-I2332 VanDerWaalsContact C-N 3.27Å; D2330-I2332 PolarHBondContact O-N 2.81Å; I2332-S2334 PolarHBondContact O-N 2.87Å; I2332-L2335 PolarHBondContact O-N 3.1Å; I2332-S2336 VanDerWaalsContact O-CB 3.31Å; I2332-S2336 WeakPolarHBondContact O-CB 3.27Å; I2332-S2336 PolarHBondContact O-N 3.05Å; I2332-S2336 PolarHBondContact O-OG 3.15Å; I2332-L2737 HydrophobicContact CD1-CD1 4.23Å; I2332-T2741 HydrophobicContact CD1-CG2 3.89Å; I2332-T2741 HydrophobicContact CG2-CG2 4.45Å; I2332-L2744 HydrophobicContact CG2-CD1 3.69Å; I2332-A2842 HydrophobicContact CD1-CB 3.84Å; I2332-A2842 HydrophobicContact CG1-CB 4.21Å |
| 2333 | S | 69.9 | Low | 69.3 | Low | 25 Ų | 25 | 75.9 Ų | 75.9 | 18% | 0.175 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.6 | -36.6 | 174.9 | 79 | 0 | 0 | 0 | 0 | 111.4 | L2329 D2330 S2331 S2336 A2337 Y2490 | L2329-S2333 WeakPolarHBondContact O-CA 3.39Å; L2329-S2333 VanDerWaalsContact O-CB 3.23Å; L2329-S2333 WeakPolarHBondContact O-CB 3.21Å; L2329-S2333 PolarHBondContact O-N 3.3Å; L2329-S2333 PolarHBondContact O-OG 3.09Å; D2330-S2333 VanDerWaalsContact C-OG 3.32Å; D2330-S2333 VanDerWaalsContact CA-OG 3.23Å; D2330-S2333 WeakPolarHBondContact CA-OG 3.35Å; D2330-S2333 CarbonylContact O-C 3.49Å; D2330-S2333 WeakPolarHBondContact O-CA 3.34Å; D2330-S2333 WeakPolarHBondContact O-CB 3.43Å; D2330-S2333 PolarHBondContact O-N 3.15Å; D2330-S2333 VanDerWaalsContact O-N 3.07Å; D2330-S2333 PolarHBondContact O-OG 3.24Å; S2331-S2333 VanDerWaalsContact C-N 3.3Å; S2333-S2336 WeakPolarHBondContact CA-OG 3.24Å; S2333-S2336 CarbonylContact O-C 3.52Å; S2333-S2336 PolarHBondContact O-N 2.97Å; S2333-S2336 PolarHBondContact O-OG 2.82Å; S2333-A2337 WeakPolarHBondContact O-CA 3.47Å; S2333-A2337 WeakPolarHBondContact O-CB 3.27Å; S2333-A2337 PolarHBondContact O-N 3.1Å; S2333-Y2490 WeakPolarHBondContact CB-OH 3.4Å; S2333-Y2490 WeakPolarHBondContact OG-CE1 3.34Å; S2333-Y2490 PolarHBondContact OG-OH 2.68Å |
| 2334 | S | 68.4 | Low | 68.5 | Low | 54.6667 Ų | 54.6667 | 73.8 Ų | 73.8 | 38% | 0.382 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -70.9 | -39.2 | 176.2 | 69.3 | 0 | 0 | 0 | 0 | 112.2 | D2330 S2331 I2332 S2336 A2337 S2338 | D2330-S2334 WeakPolarHBondContact O-CB 3.23Å; D2330-S2334 PolarHBondContact O-N 3.11Å; D2330-S2334 PolarHBondContact O-OG 3.27Å; S2331-S2334 PolarHBondContact O-N 2.68Å; S2331-S2334 PolarHBondContact O-OG 3.13Å; I2332-S2334 PolarHBondContact O-N 2.87Å; S2334-S2336 PolarHBondContact O-N 3.32Å; S2334-A2337 CarbonylContact O-C 3.55Å; S2334-A2337 WeakPolarHBondContact O-CA 3.48Å; S2334-A2337 WeakPolarHBondContact O-CB 3.27Å; S2334-A2337 PolarHBondContact O-N 3.28Å; S2334-A2337 VanDerWaalsContact O-N 3.12Å; S2334-S2338 WeakPolarHBondContact O-CB 3.44Å; S2334-S2338 PolarHBondContact O-N 3.22Å |
| 2335 | L | 66.3 | Low | 67.7 | Low | 102 Ų | 102 | 72.4 Ų | 72.4 | 53% | 0.534 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.4 | -40.4 | 173.2 | -161.7 | 76.3 | 0 | 0 | 0 | 111.8 | S2331 I2332 A2337 S2338 R2339 | S2331-L2335 VanDerWaalsContact O-CB 3.31Å; S2331-L2335 WeakPolarHBondContact O-CB 3.36Å; S2331-L2335 PolarHBondContact O-N 3.28Å; I2332-L2335 PolarHBondContact O-N 3.1Å; L2335-A2337 PolarHBondContact O-N 2.95Å; L2335-S2338 WeakPolarHBondContact O-CB 3.01Å; L2335-S2338 PolarHBondContact O-N 3.04Å; L2335-S2338 PolarHBondContact O-OG 2.68Å; L2335-S2338 VanDerWaalsContact O-OG 3.09Å; L2335-R2339 WeakPolarHBondContact O-CG 3.46Å; L2335-R2339 PolarHBondContact O-N 3.15Å |
| 2336 | S | 63.8 | Low | 67.4 | Low | 22.6667 Ų | 22.6667 | 72.8 Ų | 72.8 | 16% | 0.159 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -68.5 | -32.1 | 173.1 | 71.9 | 0 | 0 | 0 | 0 | 112 | I2332 S2333 S2334 S2338 R2339 R2340 E2748 | I2332-S2336 VanDerWaalsContact O-CB 3.31Å; I2332-S2336 WeakPolarHBondContact O-CB 3.27Å; I2332-S2336 PolarHBondContact O-N 3.05Å; I2332-S2336 PolarHBondContact O-OG 3.15Å; S2333-S2336 WeakPolarHBondContact CA-OG 3.24Å; S2333-S2336 CarbonylContact O-C 3.52Å; S2333-S2336 PolarHBondContact O-N 2.97Å; S2333-S2336 PolarHBondContact O-OG 2.82Å; S2334-S2336 PolarHBondContact O-N 3.32Å; S2336-S2338 VanDerWaalsContact C-N 3.3Å; S2336-S2338 PolarHBondContact O-N 2.89Å; S2336-R2339 PolarHBondContact O-N 3.23Å; S2336-R2340 WeakPolarHBondContact O-CB 3.48Å; S2336-R2340 VanDerWaalsContact O-CG 3.28Å; S2336-R2340 WeakPolarHBondContact O-CG 3.26Å; S2336-R2340 PolarHBondContact O-N 2.98Å; S2336-R2340 PolarHBondContact OG-NH1 2.79Å; S2336-E2748 WeakPolarHBondContact CA-OE1 3.43Å; S2336-E2748 WeakPolarHBondContact CB-OE1 3.19Å |
| 2337 | A | 60.8 | Low | 67.1 | Low | 26 Ų | 26 | 73.5 Ų | 73.5 | 22% | 0.215 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -70.6 | -32.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | S2333 S2334 L2335 R2340 S2341 Y2486 Y2490 | S2333-A2337 WeakPolarHBondContact O-CA 3.47Å; S2333-A2337 WeakPolarHBondContact O-CB 3.27Å; S2333-A2337 PolarHBondContact O-N 3.1Å; S2334-A2337 CarbonylContact O-C 3.55Å; S2334-A2337 WeakPolarHBondContact O-CA 3.48Å; S2334-A2337 WeakPolarHBondContact O-CB 3.27Å; S2334-A2337 PolarHBondContact O-N 3.28Å; S2334-A2337 VanDerWaalsContact O-N 3.12Å; L2335-A2337 PolarHBondContact O-N 2.95Å; A2337-R2340 CarbonylContact O-C 3.54Å; A2337-R2340 PolarHBondContact O-N 3.37Å; A2337-S2341 WeakPolarHBondContact O-CA 2.95Å; A2337-S2341 WeakPolarHBondContact O-CB 3.33Å; A2337-S2341 PolarHBondContact O-N 3.17Å; A2337-S2341 PolarHBondContact O-OG 3.03Å; A2337-Y2486 WeakPolarHBondContact CB-O 3.17Å; A2337-Y2490 HydrophobicContact CB-CD2 3.93Å; A2337-Y2490 HydrophobicContact CB-CG 4.16Å |
| 2338 | S | 63.3 | Low | 66.6 | Low | 39.3333 Ų | 39.3333 | 68.3 Ų | 68.3 | 28% | 0.275 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -71.7 | -33.6 | 175.8 | 111.3 | 0 | 0 | 0 | 0 | 112.5 | S2334 L2335 S2336 R2340 S2341 R2342 E2485 | S2334-S2338 WeakPolarHBondContact O-CB 3.44Å; S2334-S2338 PolarHBondContact O-N 3.22Å; L2335-S2338 WeakPolarHBondContact O-CB 3.01Å; L2335-S2338 PolarHBondContact O-N 3.04Å; L2335-S2338 PolarHBondContact O-OG 2.68Å; L2335-S2338 VanDerWaalsContact O-OG 3.09Å; S2336-S2338 VanDerWaalsContact C-N 3.3Å; S2336-S2338 PolarHBondContact O-N 2.89Å; S2338-R2340 VanDerWaalsContact C-N 3.34Å; S2338-R2340 PolarHBondContact O-N 3.38Å; S2338-S2341 VanDerWaalsContact C-OG 3.3Å; S2338-S2341 VanDerWaalsContact CA-OG 3.29Å; S2338-S2341 WeakPolarHBondContact CA-OG 3.34Å; S2338-S2341 PolarHBondContact O-N 3.12Å; S2338-S2341 PolarHBondContact O-OG 2.83Å; S2338-R2342 VanDerWaalsContact O-CG 3.27Å; S2338-R2342 WeakPolarHBondContact O-CG 3.21Å; S2338-R2342 PolarHBondContact O-N 3.12Å; S2338-R2342 PolarHBondContact O-NE 2.97Å; S2338-R2342 PolarHBondContact OG-NE 3.47Å; S2338-R2342 PolarHBondContact OG-NH2 3.38Å; S2338-E2485 VanDerWaalsContact CA-OE1 3.22Å; S2338-E2485 WeakPolarHBondContact CA-OE1 3.45Å; S2338-E2485 WeakPolarHBondContact CB-OE1 3.27Å; S2338-E2485 PolarHBondContact OG-OE1 3.36Å |
| 2339 | R | 58.6 | Low | 66.6 | Low | 128.333 Ų | 128.333 | 64.7 Ų | 64.7 | 48% | 0.484 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68.3 | -17.8 | 178 | -77.9 | -176.9 | 173.1 | -160.8 | -1.7 | 112.8 | L2335 S2336 S2341 R2342 V2343 E2748 H2827 E2838 | L2335-R2339 WeakPolarHBondContact O-CG 3.46Å; L2335-R2339 PolarHBondContact O-N 3.15Å; S2336-R2339 PolarHBondContact O-N 3.23Å; R2339-S2341 VanDerWaalsContact C-N 3.31Å; R2339-S2341 PolarHBondContact O-N 2.87Å; R2339-R2342 WeakPolarHBondContact O-CB 3.35Å; R2339-R2342 PolarHBondContact O-N 2.96Å; R2339-V2343 WeakPolarHBondContact O-CG2 3.46Å; R2339-V2343 PolarHBondContact O-N 3.05Å; R2339-E2748 IonicContact NH1-OE2 3.46Å; R2339-H2827 HydrophobicContact CG-CB 4.36Å; R2339-H2827 PolarHBondContact O-CE1 3.25Å; R2339-H2827 VanDerWaalsContact O-CE1 3.26Å; R2339-E2838 IonicContact CZ-OE1 3.35Å; R2339-E2838 IonicContact CZ-OE2 3Å; R2339-E2838 IonicContact NH1-OE1 2.81Å; R2339-E2838 IonicContact NH1-OE2 3.94Å; R2339-E2838 PolarHBondContact NH1-OE2 3.47Å; R2339-E2838 IonicContact NH2-OE1 3.8Å; R2339-E2838 PolarHBondContact NH2-OE1 3.44Å; R2339-E2838 IonicContact NH2-OE2 3.24Å; R2339-E2838 PolarHBondContact NH2-OE2 2.96Å |
| 2340 | R | 59.6 | Low | 66.5 | Low | 133 Ų | 133 | 63.3 Ų | 63.3 | 50% | 0.502 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -32.2 | -32.4 | 172.2 | -80.5 | 179.6 | 179.6 | 132.1 | -3.3 | 114.3 | S2336 A2337 S2338 R2342 V2343 L2344 Q2751 | S2336-R2340 WeakPolarHBondContact O-CB 3.48Å; S2336-R2340 VanDerWaalsContact O-CG 3.28Å; S2336-R2340 WeakPolarHBondContact O-CG 3.26Å; S2336-R2340 PolarHBondContact O-N 2.98Å; S2336-R2340 PolarHBondContact OG-NH1 2.79Å; A2337-R2340 CarbonylContact O-C 3.54Å; A2337-R2340 PolarHBondContact O-N 3.37Å; S2338-R2340 VanDerWaalsContact C-N 3.34Å; S2338-R2340 PolarHBondContact O-N 3.38Å; R2340-R2342 PolarHBondContact O-N 3.42Å; R2340-V2343 PolarHBondContact O-N 3.07Å; R2340-V2343 VanDerWaalsContact O-N 3.09Å; R2340-L2344 VanDerWaalsContact O-CB 3.27Å; R2340-L2344 WeakPolarHBondContact O-CB 3.45Å; R2340-L2344 WeakPolarHBondContact O-CG 3.47Å; R2340-L2344 PolarHBondContact O-N 3.5Å; R2340-Q2751 VanDerWaalsContact CG-OE1 3.25Å |
| 2341 | S | 59.1 | Low | 66.5 | Low | 38 Ų | 38 | 62.9 Ų | 62.9 | 27% | 0.266 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68.2 | -33.9 | -178 | 62.8 | 0 | 0 | 0 | 0 | 112.2 | A2337 S2338 R2339 V2343 L2344 L2345 E2485 Y2486 | A2337-S2341 WeakPolarHBondContact O-CA 2.95Å; A2337-S2341 WeakPolarHBondContact O-CB 3.33Å; A2337-S2341 PolarHBondContact O-N 3.17Å; A2337-S2341 PolarHBondContact O-OG 3.03Å; S2338-S2341 VanDerWaalsContact C-OG 3.3Å; S2338-S2341 VanDerWaalsContact CA-OG 3.29Å; S2338-S2341 WeakPolarHBondContact CA-OG 3.34Å; S2338-S2341 PolarHBondContact O-N 3.12Å; S2338-S2341 PolarHBondContact O-OG 2.83Å; R2339-S2341 VanDerWaalsContact C-N 3.31Å; R2339-S2341 PolarHBondContact O-N 2.87Å; S2341-V2343 VanDerWaalsContact C-N 3.33Å; S2341-V2343 PolarHBondContact O-N 3.02Å; S2341-L2344 PolarHBondContact O-N 3.22Å; S2341-L2345 WeakPolarHBondContact O-CB 3.37Å; S2341-L2345 PolarHBondContact O-N 2.83Å; S2341-E2485 WeakPolarHBondContact OG-CG 3.21Å; S2341-Y2486 WeakPolarHBondContact CA-O 3.33Å; S2341-Y2486 WeakPolarHBondContact CB-O 3.5Å; S2341-Y2486 VanDerWaalsContact O-CB 3.27Å; S2341-Y2486 WeakPolarHBondContact O-CB 3.24Å; S2341-Y2486 WeakPolarHBondContact O-CD2 3.44Å; S2341-Y2486 PolarHBondContact O-N 3.09Å |
| 2342 | R | 58 | Low | 66.9 | Low | 124.333 Ų | 124.333 | 62.8 Ų | 62.8 | 47% | 0.469 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -69 | -33.6 | 176.1 | -68 | -179.4 | -170.6 | -172.4 | 3.4 | 112.5 | S2338 R2339 R2340 L2344 L2345 S2346 E2483 P2825 | S2338-R2342 VanDerWaalsContact O-CG 3.27Å; S2338-R2342 WeakPolarHBondContact O-CG 3.21Å; S2338-R2342 PolarHBondContact O-N 3.12Å; S2338-R2342 PolarHBondContact O-NE 2.97Å; S2338-R2342 PolarHBondContact OG-NE 3.47Å; S2338-R2342 PolarHBondContact OG-NH2 3.38Å; R2339-R2342 WeakPolarHBondContact O-CB 3.35Å; R2339-R2342 PolarHBondContact O-N 2.96Å; R2340-R2342 PolarHBondContact O-N 3.42Å; R2342-L2344 PolarHBondContact O-N 3.48Å; R2342-L2345 PolarHBondContact O-N 2.76Å; R2342-S2346 WeakPolarHBondContact O-CB 3.34Å; R2342-S2346 PolarHBondContact O-N 2.85Å; R2342-S2346 PolarHBondContact O-OG 2.96Å; R2342-E2483 IonicContact NH1-OE2 2.66Å; R2342-P2825 HydrophobicContact CB-CB 4.21Å; R2342-P2825 HydrophobicContact CB-CG 3.98Å; R2342-P2825 WeakPolarHBondContact O-CG 3.37Å |
| 2343 | V | 61.3 | Low | 67.2 | Low | 67 Ų | 67 | 61.2 Ų | 61.2 | 41% | 0.406 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -72 | -21.5 | 177.6 | -179.2 | 0 | 0 | 0 | 0 | 110.5 | R2339 R2340 S2341 L2345 S2346 Q2347 Q2751 L2755 P2825 H2827 | R2339-V2343 WeakPolarHBondContact O-CG2 3.46Å; R2339-V2343 PolarHBondContact O-N 3.05Å; R2340-V2343 PolarHBondContact O-N 3.07Å; R2340-V2343 VanDerWaalsContact O-N 3.09Å; S2341-V2343 VanDerWaalsContact C-N 3.33Å; S2341-V2343 PolarHBondContact O-N 3.02Å; V2343-L2345 VanDerWaalsContact C-N 3.31Å; V2343-L2345 PolarHBondContact O-N 2.83Å; V2343-S2346 PolarHBondContact O-N 3.15Å; V2343-S2346 PolarHBondContact O-OG 3.1Å; V2343-Q2347 WeakPolarHBondContact O-CB 3.21Å; V2343-Q2347 PolarHBondContact O-N 3.12Å; V2343-Q2751 HydrophobicContact CG1-CB 4.29Å; V2343-L2755 HydrophobicContact CG1-CB 4.1Å; V2343-L2755 HydrophobicContact CG1-CD1 3.76Å; V2343-L2755 HydrophobicContact CG1-CG 4.42Å; V2343-P2825 HydrophobicContact CG2-CG 4.12Å; V2343-H2827 WeakPolarHBondContact CG2-NE2 3.37Å |
| 2344 | L | 66 | Low | 67.3 | Low | 68 Ų | 68 | 62.5 Ų | 62.5 | 36% | 0.356 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -70.8 | -3.6 | 177.8 | -68.8 | 171.7 | 0 | 0 | 0 | 112.2 | R2340 S2341 R2342 S2346 Q2347 A2348 P2466 Y2486 | R2340-L2344 VanDerWaalsContact O-CB 3.27Å; R2340-L2344 WeakPolarHBondContact O-CB 3.45Å; R2340-L2344 WeakPolarHBondContact O-CG 3.47Å; R2340-L2344 PolarHBondContact O-N 3.5Å; S2341-L2344 PolarHBondContact O-N 3.22Å; R2342-L2344 PolarHBondContact O-N 3.48Å; L2344-S2346 VanDerWaalsContact C-N 3.25Å; L2344-S2346 PolarHBondContact O-N 3.37Å; L2344-Q2347 HydrophobicContact CB-CB 3.92Å; L2344-Q2347 PolarHBondContact O-N 3.2Å; L2344-Q2347 VanDerWaalsContact O-N 3.13Å; L2344-A2348 VanDerWaalsContact O-CB 3.28Å; L2344-A2348 WeakPolarHBondContact O-CB 3.12Å; L2344-A2348 PolarHBondContact O-N 3.02Å; L2344-P2466 HydrophobicContact CD2-CG 4.49Å; L2344-Y2486 HydrophobicContact CD1-CD1 4.24Å; L2344-Y2486 HydrophobicContact CD1-CD2 3.81Å; L2344-Y2486 HydrophobicContact CD1-CE1 3.9Å; L2344-Y2486 HydrophobicContact CD1-CE2 3.47Å; L2344-Y2486 VanDerWaalsContact CD1-CE2 3.47Å; L2344-Y2486 HydrophobicContact CD1-CG 4.2Å; L2344-Y2486 HydrophobicContact CD2-CD1 4.09Å; L2344-Y2486 HydrophobicContact CD2-CD2 3.93Å; L2344-Y2486 HydrophobicContact CD2-CE2 4.45Å; L2344-Y2486 HydrophobicContact CD2-CG 3.76Å; L2344-Y2486 HydrophobicContact CG-CD2 3.84Å; L2344-Y2486 HydrophobicContact CG-CE2 4Å; L2344-Y2486 HydrophobicContact CG-CG 4.18Å |
| 2345 | L | 67.7 | Low | 67.5 | Low | 65.3333 Ų | 65.3333 | 60.9 Ų | 60.9 | 34% | 0.342 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.4 | -42.9 | 176.2 | -172.3 | 69 | 0 | 0 | 0 | 111.5 | S2341 R2342 V2343 Q2347 A2348 V2349 L2754 L2755 Y2758 | S2341-L2345 WeakPolarHBondContact O-CB 3.37Å; S2341-L2345 PolarHBondContact O-N 2.83Å; R2342-L2345 PolarHBondContact O-N 2.76Å; V2343-L2345 VanDerWaalsContact C-N 3.31Å; V2343-L2345 PolarHBondContact O-N 2.83Å; L2345-Q2347 VanDerWaalsContact C-N 3.27Å; L2345-Q2347 PolarHBondContact O-N 3.04Å; L2345-A2348 CarbonylContact O-C 3.52Å; L2345-A2348 PolarHBondContact O-N 3.03Å; L2345-A2348 VanDerWaalsContact O-N 3.13Å; L2345-V2349 HydrophobicContact CD1-CG2 4.3Å; L2345-V2349 HydrophobicContact CG-CG2 4.37Å; L2345-V2349 WeakPolarHBondContact O-CB 3.38Å; L2345-V2349 VanDerWaalsContact O-CG2 3.27Å; L2345-V2349 WeakPolarHBondContact O-CG2 3.19Å; L2345-V2349 PolarHBondContact O-N 3.12Å; L2345-L2754 HydrophobicContact CD1-CB 3.75Å; L2345-L2755 HydrophobicContact CD1-CB 4.15Å; L2345-Y2758 HydrophobicContact CD1-CD2 3.88Å; L2345-Y2758 HydrophobicContact CD1-CE2 4.06Å; L2345-Y2758 HydrophobicContact CG-CD2 4.46Å; L2345-Y2758 HydrophobicContact CG-CE2 4.33Å |
| 2346 | S | 71.2 | Confident | 68 | Low | 58.3333 Ų | 58.3333 | 59.1 Ų | 59.1 | 41% | 0.408 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.9 | -36.6 | 175.4 | 59.8 | 0 | 0 | 0 | 0 | 111.9 | R2342 V2343 L2344 V2349 A2350 | R2342-S2346 WeakPolarHBondContact O-CB 3.34Å; R2342-S2346 PolarHBondContact O-N 2.85Å; R2342-S2346 PolarHBondContact O-OG 2.96Å; V2343-S2346 PolarHBondContact O-N 3.15Å; V2343-S2346 PolarHBondContact O-OG 3.1Å; L2344-S2346 VanDerWaalsContact C-N 3.25Å; L2344-S2346 PolarHBondContact O-N 3.37Å; S2346-V2349 PolarHBondContact O-N 2.77Å; S2346-A2350 WeakPolarHBondContact O-CB 3.3Å; S2346-A2350 PolarHBondContact O-N 2.84Å |
| 2347 | Q | 73.4 | Confident | 68.4 | Low | 79.3333 Ų | 79.3333 | 59.5 Ų | 59.5 | 37% | 0.371 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -70.5 | -42 | 174.9 | -171.3 | 171.6 | -2.5 | 0 | 0 | 111.9 | V2343 L2344 L2345 V2349 A2350 E2351 V2819 D2821 A2822 | V2343-Q2347 WeakPolarHBondContact O-CB 3.21Å; V2343-Q2347 PolarHBondContact O-N 3.12Å; L2344-Q2347 HydrophobicContact CB-CB 3.92Å; L2344-Q2347 PolarHBondContact O-N 3.2Å; L2344-Q2347 VanDerWaalsContact O-N 3.13Å; L2345-Q2347 VanDerWaalsContact C-N 3.27Å; L2345-Q2347 PolarHBondContact O-N 3.04Å; Q2347-V2349 VanDerWaalsContact C-N 3.33Å; Q2347-V2349 PolarHBondContact O-N 3.21Å; Q2347-A2350 WeakPolarHBondContact O-CB 3.26Å; Q2347-A2350 PolarHBondContact O-N 2.84Å; Q2347-A2350 VanDerWaalsContact O-N 3.17Å; Q2347-E2351 WeakPolarHBondContact O-CG 3.32Å; Q2347-E2351 PolarHBondContact O-N 2.9Å; Q2347-V2819 PolarHBondContact NE2-O 3.37Å; Q2347-D2821 PolarHBondContact NE2-O 2.86Å; Q2347-A2822 HydrophobicContact CB-CB 4.24Å; Q2347-A2822 HydrophobicContact CG-CB 4.18Å |
| 2348 | A | 69.6 | Low | 69 | Low | 21.3333 Ų | 21.3333 | 60.2 Ų | 60.2 | 18% | 0.176 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.5 | -37.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L2344 L2345 E2351 L2352 L2755 A2822 | L2344-A2348 VanDerWaalsContact O-CB 3.28Å; L2344-A2348 WeakPolarHBondContact O-CB 3.12Å; L2344-A2348 PolarHBondContact O-N 3.02Å; L2345-A2348 CarbonylContact O-C 3.52Å; L2345-A2348 PolarHBondContact O-N 3.03Å; L2345-A2348 VanDerWaalsContact O-N 3.13Å; A2348-E2351 WeakPolarHBondContact O-CB 3.4Å; A2348-E2351 PolarHBondContact O-N 3.18Å; A2348-L2352 VanDerWaalsContact O-CB 3.32Å; A2348-L2352 WeakPolarHBondContact O-CB 3.23Å; A2348-L2352 PolarHBondContact O-N 3.33Å; A2348-L2755 HydrophobicContact CB-CD1 4.23Å; A2348-A2822 HydrophobicContact CB-CB 3.93Å |
| 2349 | V | 74.9 | Confident | 69.4 | Low | 64.6667 Ų | 64.6667 | 59.7 Ų | 59.7 | 39% | 0.392 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.7 | -38.9 | 173 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | L2345 S2346 Q2347 E2351 L2352 A2353 Y2758 | L2345-V2349 HydrophobicContact CD1-CG2 4.3Å; L2345-V2349 HydrophobicContact CG-CG2 4.37Å; L2345-V2349 WeakPolarHBondContact O-CB 3.38Å; L2345-V2349 VanDerWaalsContact O-CG2 3.27Å; L2345-V2349 WeakPolarHBondContact O-CG2 3.19Å; L2345-V2349 PolarHBondContact O-N 3.12Å; S2346-V2349 PolarHBondContact O-N 2.77Å; Q2347-V2349 VanDerWaalsContact C-N 3.33Å; Q2347-V2349 PolarHBondContact O-N 3.21Å; V2349-E2351 VanDerWaalsContact C-N 3.34Å; V2349-E2351 PolarHBondContact O-N 3.33Å; V2349-L2352 PolarHBondContact O-N 3Å; V2349-A2353 WeakPolarHBondContact O-CA 3.18Å; V2349-A2353 VanDerWaalsContact O-CB 3.27Å; V2349-A2353 WeakPolarHBondContact O-CB 3.1Å; V2349-A2353 PolarHBondContact O-N 3.01Å; V2349-Y2758 HydrophobicContact CG2-CD1 4.23Å; V2349-Y2758 HydrophobicContact CG2-CD2 3.89Å; V2349-Y2758 HydrophobicContact CG2-CE1 4.05Å; V2349-Y2758 HydrophobicContact CG2-CE2 3.69Å; V2349-Y2758 HydrophobicContact CG2-CG 4.17Å |
| 2350 | A | 72.1 | Confident | 70.2 | Confident | 16 Ų | 16 | 56.8 Ų | 56.8 | 13% | 0.132 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.1 | -43 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S2346 Q2347 A2353 R2354 I2463 | S2346-A2350 WeakPolarHBondContact O-CB 3.3Å; S2346-A2350 PolarHBondContact O-N 2.84Å; Q2347-A2350 WeakPolarHBondContact O-CB 3.26Å; Q2347-A2350 PolarHBondContact O-N 2.84Å; Q2347-A2350 VanDerWaalsContact O-N 3.17Å; A2350-A2353 PolarHBondContact O-N 2.96Å; A2350-R2354 WeakPolarHBondContact O-CB 3.4Å; A2350-R2354 VanDerWaalsContact O-CG 3.31Å; A2350-R2354 WeakPolarHBondContact O-CG 3.02Å; A2350-R2354 PolarHBondContact O-N 2.83Å; A2350-I2463 HydrophobicContact CB-CD1 3.56Å; A2350-I2463 VanDerWaalsContact CB-CD1 3.45Å; A2350-I2463 HydrophobicContact CB-CG1 3.87Å |
| 2351 | E | 72.9 | Confident | 70.8 | Confident | 52.3333 Ų | 52.3333 | 51.9 Ų | 51.9 | 25% | 0.245 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64 | -42.3 | 175.9 | -79.4 | -83.5 | 168.1 | 0 | 0 | 112.4 | Q2347 A2348 V2349 A2353 R2354 A2355 R2766 A2820 D2821 A2822 | Q2347-E2351 WeakPolarHBondContact O-CG 3.32Å; Q2347-E2351 PolarHBondContact O-N 2.9Å; A2348-E2351 WeakPolarHBondContact O-CB 3.4Å; A2348-E2351 PolarHBondContact O-N 3.18Å; V2349-E2351 VanDerWaalsContact C-N 3.34Å; V2349-E2351 PolarHBondContact O-N 3.33Å; E2351-A2353 VanDerWaalsContact C-N 3.33Å; E2351-A2353 PolarHBondContact O-N 3.37Å; E2351-R2354 PolarHBondContact O-N 3.2Å; E2351-R2354 IonicContact OE1-CZ 2.71Å; E2351-R2354 IonicContact OE1-NH1 3.21Å; E2351-R2354 PolarHBondContact OE1-NH1 2.99Å; E2351-R2354 IonicContact OE2-NH1 3.61Å; E2351-R2354 PolarHBondContact OE2-NH1 3.04Å; E2351-A2355 VanDerWaalsContact O-CB 3.3Å; E2351-A2355 WeakPolarHBondContact O-CB 3.34Å; E2351-A2355 PolarHBondContact O-N 3.37Å; E2351-A2355 VanDerWaalsContact O-N 3.16Å; E2351-R2766 IonicContact OE2-CZ 3.5Å; E2351-R2766 IonicContact OE2-NH1 2.7Å; E2351-R2766 PolarHBondContact OE2-NH1 3.31Å; E2351-R2766 VanDerWaalsContact OE2-NH1 3.15Å; E2351-R2766 IonicContact OE2-NH2 3.46Å; E2351-R2766 PolarHBondContact OE2-NH2 3.18Å; E2351-A2820 WeakPolarHBondContact CG-O 3.33Å; E2351-D2821 VanDerWaalsContact CD-OD1 3.31Å; E2351-D2821 VanDerWaalsContact OE1-C 3.31Å; E2351-D2821 WeakPolarHBondContact OE1-CA 3.09Å; E2351-D2821 WeakPolarHBondContact OE1-CB 3.44Å; E2351-A2822 PolarHBondContact OE1-N 3.37Å |
| 2352 | L | 80 | Confident | 71.4 | Confident | 59 Ų | 59 | 52 Ų | 52 | 31% | 0.309 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.1 | -47 | 172.8 | -177.2 | 68.6 | 0 | 0 | 0 | 110.6 | A2348 V2349 R2354 A2355 T2356 Y2758 A2761 A2762 L2765 | A2348-L2352 VanDerWaalsContact O-CB 3.32Å; A2348-L2352 WeakPolarHBondContact O-CB 3.23Å; A2348-L2352 PolarHBondContact O-N 3.33Å; V2349-L2352 PolarHBondContact O-N 3Å; L2352-R2354 VanDerWaalsContact C-N 3.31Å; L2352-R2354 PolarHBondContact O-N 3.22Å; L2352-A2355 CarbonylContact O-C 3.6Å; L2352-A2355 WeakPolarHBondContact O-CA 3.37Å; L2352-A2355 PolarHBondContact O-N 2.86Å; L2352-T2356 HydrophobicContact CD1-CG2 4.16Å; L2352-T2356 HydrophobicContact CD2-CG2 4.24Å; L2352-T2356 HydrophobicContact CG-CG2 4.2Å; L2352-T2356 WeakPolarHBondContact O-CG2 3.42Å; L2352-T2356 PolarHBondContact O-N 3.2Å; L2352-T2356 PolarHBondContact O-OG1 3.07Å; L2352-T2356 VanDerWaalsContact O-OG1 3.04Å; L2352-Y2758 HydrophobicContact CD2-CD1 3.66Å; L2352-Y2758 HydrophobicContact CD2-CE1 4.2Å; L2352-A2761 HydrophobicContact CD1-CB 4.01Å; L2352-A2761 HydrophobicContact CD2-CB 4.41Å; L2352-A2762 HydrophobicContact CB-CB 4.43Å; L2352-A2762 HydrophobicContact CD1-CB 4.07Å; L2352-L2765 HydrophobicContact CD1-CD1 3.72Å |
| 2353 | A | 74.5 | Confident | 72.2 | Confident | 40.3333 Ų | 40.3333 | 52.5 Ų | 52.5 | 33% | 0.333 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.3 | -41.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | V2349 A2350 E2351 T2356 A2357 | V2349-A2353 WeakPolarHBondContact O-CA 3.18Å; V2349-A2353 VanDerWaalsContact O-CB 3.27Å; V2349-A2353 WeakPolarHBondContact O-CB 3.1Å; V2349-A2353 PolarHBondContact O-N 3.01Å; A2350-A2353 PolarHBondContact O-N 2.96Å; E2351-A2353 VanDerWaalsContact C-N 3.33Å; E2351-A2353 PolarHBondContact O-N 3.37Å; A2353-T2356 VanDerWaalsContact CA-OG1 3.3Å; A2353-T2356 WeakPolarHBondContact CA-OG1 3.26Å; A2353-T2356 PolarHBondContact O-N 3.24Å; A2353-T2356 PolarHBondContact O-OG1 3.16Å; A2353-T2356 VanDerWaalsContact O-OG1 3.05Å; A2353-A2357 VanDerWaalsContact O-CB 3.26Å; A2353-A2357 WeakPolarHBondContact O-CB 3.26Å; A2353-A2357 PolarHBondContact O-N 2.95Å |
| 2354 | R | 72.3 | Confident | 72.8 | Confident | 53.3333 Ų | 53.3333 | 53.9 Ų | 53.9 | 20% | 0.201 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63 | -48.4 | 172.4 | -72.2 | -180 | -162.1 | 115.1 | 4 | 111.8 | A2350 E2351 L2352 T2356 A2357 T2358 P2458 F2461 M2788 A2820 | A2350-R2354 WeakPolarHBondContact O-CB 3.4Å; A2350-R2354 VanDerWaalsContact O-CG 3.31Å; A2350-R2354 WeakPolarHBondContact O-CG 3.02Å; A2350-R2354 PolarHBondContact O-N 2.83Å; E2351-R2354 PolarHBondContact O-N 3.2Å; E2351-R2354 IonicContact OE1-CZ 2.71Å; E2351-R2354 IonicContact OE1-NH1 3.21Å; E2351-R2354 PolarHBondContact OE1-NH1 2.99Å; E2351-R2354 IonicContact OE2-NH1 3.61Å; E2351-R2354 PolarHBondContact OE2-NH1 3.04Å; L2352-R2354 VanDerWaalsContact C-N 3.31Å; L2352-R2354 PolarHBondContact O-N 3.22Å; R2354-T2356 VanDerWaalsContact C-N 3.31Å; R2354-T2356 PolarHBondContact O-N 3.23Å; R2354-A2357 PolarHBondContact O-N 3.06Å; R2354-A2357 VanDerWaalsContact O-N 3.15Å; R2354-T2358 WeakPolarHBondContact O-CG2 3.17Å; R2354-T2358 PolarHBondContact O-N 3.2Å; R2354-T2358 PolarHBondContact O-OG1 3.2Å; R2354-T2358 VanDerWaalsContact O-OG1 3.05Å; R2354-P2458 HydrophobicContact CB-CB 4.22Å; R2354-P2458 WeakPolarHBondContact CD-O 2.97Å; R2354-P2458 HydrophobicContact CG-CB 4.16Å; R2354-P2458 WeakPolarHBondContact CG-O 3.47Å; R2354-P2458 PolarHBondContact NE-O 3.33Å; R2354-P2458 PolarHBondContact NH2-O 3.02Å; R2354-F2461 HydrophobicContact CG-CB 4.16Å; R2354-F2461 VanDerWaalsContact CZ-O 3.27Å; R2354-F2461 PolarHBondContact NE-O 3.48Å; R2354-F2461 PolarHBondContact NH2-O 3.37Å; R2354-M2788 HydrophobicContact CB-CE 4.29Å; R2354-A2820 PolarHBondContact NH1-O 3.14Å |
| 2355 | A | 72.4 | Confident | 73.2 | Confident | 19.3333 Ų | 19.3333 | 51.4 Ų | 51.4 | 16% | 0.16 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.9 | -36.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E2351 L2352 T2358 A2359 L2765 | E2351-A2355 VanDerWaalsContact O-CB 3.3Å; E2351-A2355 WeakPolarHBondContact O-CB 3.34Å; E2351-A2355 PolarHBondContact O-N 3.37Å; E2351-A2355 VanDerWaalsContact O-N 3.16Å; L2352-A2355 CarbonylContact O-C 3.6Å; L2352-A2355 WeakPolarHBondContact O-CA 3.37Å; L2352-A2355 PolarHBondContact O-N 2.86Å; A2355-T2358 WeakPolarHBondContact CA-OG1 3.33Å; A2355-T2358 PolarHBondContact O-OG1 2.98Å; A2355-T2358 VanDerWaalsContact O-OG1 3.05Å; A2355-A2359 VanDerWaalsContact O-CB 3.31Å; A2355-A2359 WeakPolarHBondContact O-CB 3.38Å; A2355-A2359 PolarHBondContact O-N 3.09Å; A2355-L2765 HydrophobicContact CB-CB 4.42Å |
| 2356 | T | 76 | Confident | 73.4 | Confident | 66 Ų | 66 | 51.8 Ų | 51.8 | 41% | 0.405 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -74 | -36.5 | 175.1 | 53.5 | 0 | 0 | 0 | 0 | 112.2 | L2352 A2353 R2354 A2359 S2360 L2765 | L2352-T2356 HydrophobicContact CD1-CG2 4.16Å; L2352-T2356 HydrophobicContact CD2-CG2 4.24Å; L2352-T2356 HydrophobicContact CG-CG2 4.2Å; L2352-T2356 WeakPolarHBondContact O-CG2 3.42Å; L2352-T2356 PolarHBondContact O-N 3.2Å; L2352-T2356 PolarHBondContact O-OG1 3.07Å; L2352-T2356 VanDerWaalsContact O-OG1 3.04Å; A2353-T2356 VanDerWaalsContact CA-OG1 3.3Å; A2353-T2356 WeakPolarHBondContact CA-OG1 3.26Å; A2353-T2356 PolarHBondContact O-N 3.24Å; A2353-T2356 PolarHBondContact O-OG1 3.16Å; A2353-T2356 VanDerWaalsContact O-OG1 3.05Å; R2354-T2356 VanDerWaalsContact C-N 3.31Å; R2354-T2356 PolarHBondContact O-N 3.23Å; T2356-A2359 PolarHBondContact O-N 2.97Å; T2356-S2360 WeakPolarHBondContact O-CA 3Å; T2356-S2360 WeakPolarHBondContact O-CB 3.22Å; T2356-S2360 PolarHBondContact O-N 3.06Å; T2356-S2360 PolarHBondContact O-OG 3.09Å; T2356-L2765 HydrophobicContact CG2-CD1 3.43Å; T2356-L2765 VanDerWaalsContact CG2-CD1 3.43Å |
| 2357 | A | 72.3 | Confident | 73.6 | Confident | 29.3333 Ų | 29.3333 | 50.7 Ų | 50.7 | 24% | 0.242 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.3 | -43.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | A2353 R2354 A2359 S2360 A2361 | A2353-A2357 VanDerWaalsContact O-CB 3.26Å; A2353-A2357 WeakPolarHBondContact O-CB 3.26Å; A2353-A2357 PolarHBondContact O-N 2.95Å; R2354-A2357 PolarHBondContact O-N 3.06Å; R2354-A2357 VanDerWaalsContact O-N 3.15Å; A2357-A2359 VanDerWaalsContact C-N 3.34Å; A2357-A2359 PolarHBondContact O-N 2.79Å; A2357-S2360 WeakPolarHBondContact CA-OG 3.34Å; A2357-S2360 PolarHBondContact O-N 3.47Å; A2357-S2360 PolarHBondContact O-OG 2.74Å; A2357-A2361 VanDerWaalsContact O-CB 3.27Å; A2357-A2361 WeakPolarHBondContact O-CB 3.4Å; A2357-A2361 PolarHBondContact O-N 3.1Å; A2357-A2361 VanDerWaalsContact O-N 3.1Å |
| 2358 | T | 73.1 | Confident | 73.5 | Confident | 41.3333 Ų | 41.3333 | 48.8 Ų | 48.8 | 25% | 0.254 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.4 | -40.1 | 175 | 51.5 | 0 | 0 | 0 | 0 | 112.1 | R2354 A2355 A2361 L2362 P2458 M2788 | R2354-T2358 WeakPolarHBondContact O-CG2 3.17Å; R2354-T2358 PolarHBondContact O-N 3.2Å; R2354-T2358 PolarHBondContact O-OG1 3.2Å; R2354-T2358 VanDerWaalsContact O-OG1 3.05Å; A2355-T2358 WeakPolarHBondContact CA-OG1 3.33Å; A2355-T2358 PolarHBondContact O-OG1 2.98Å; A2355-T2358 VanDerWaalsContact O-OG1 3.05Å; T2358-A2361 PolarHBondContact O-N 2.89Å; T2358-L2362 WeakPolarHBondContact O-CB 3.42Å; T2358-L2362 VanDerWaalsContact O-CG 3.32Å; T2358-L2362 WeakPolarHBondContact O-CG 3.08Å; T2358-L2362 PolarHBondContact O-N 3.29Å; T2358-P2458 HydrophobicContact CG2-CB 3.98Å; T2358-P2458 HydrophobicContact CG2-CG 3.78Å; T2358-M2788 HydrophobicContact CG2-CE 4.32Å; T2358-M2788 HydrophobicContact CG2-SD 4.36Å |
| 2359 | A | 73.1 | Confident | 73.7 | Confident | 29 Ų | 29 | 51.1 Ų | 51.1 | 24% | 0.24 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.6 | -40.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A2355 T2356 A2357 A2361 L2362 Q2363 L2765 M2769 | A2355-A2359 VanDerWaalsContact O-CB 3.31Å; A2355-A2359 WeakPolarHBondContact O-CB 3.38Å; A2355-A2359 PolarHBondContact O-N 3.09Å; T2356-A2359 PolarHBondContact O-N 2.97Å; A2357-A2359 VanDerWaalsContact C-N 3.34Å; A2357-A2359 PolarHBondContact O-N 2.79Å; A2359-A2361 PolarHBondContact O-N 3.38Å; A2359-L2362 PolarHBondContact O-N 3.18Å; A2359-Q2363 WeakPolarHBondContact O-CB 3.22Å; A2359-Q2363 PolarHBondContact O-N 2.81Å; A2359-L2765 HydrophobicContact CB-CD2 4.37Å; A2359-M2769 WeakPolarHBondContact CA-SD 3.31Å; A2359-M2769 HydrophobicContact CB-CG 3.97Å; A2359-M2769 HydrophobicContact CB-SD 3.64Å; A2359-M2769 PolarHBondContact N-SD 2.68Å; A2359-M2769 VanDerWaalsContact N-SD 3.42Å |
| 2360 | S | 73.9 | Confident | 73.5 | Confident | 67.3333 Ų | 67.3333 | 50.5 Ų | 50.5 | 47% | 0.471 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -70 | -35.1 | 176.6 | 63.7 | 0 | 0 | 0 | 0 | 112.4 | T2356 A2357 L2362 Q2363 L2364 | T2356-S2360 WeakPolarHBondContact O-CA 3Å; T2356-S2360 WeakPolarHBondContact O-CB 3.22Å; T2356-S2360 PolarHBondContact O-N 3.06Å; T2356-S2360 PolarHBondContact O-OG 3.09Å; A2357-S2360 WeakPolarHBondContact CA-OG 3.34Å; A2357-S2360 PolarHBondContact O-N 3.47Å; A2357-S2360 PolarHBondContact O-OG 2.74Å; S2360-L2362 VanDerWaalsContact C-N 3.34Å; S2360-Q2363 PolarHBondContact O-N 3.03Å; S2360-L2364 WeakPolarHBondContact O-CA 3.08Å; S2360-L2364 VanDerWaalsContact O-CB 3.28Å; S2360-L2364 WeakPolarHBondContact O-CB 3.28Å; S2360-L2364 PolarHBondContact O-N 2.8Å |
| 2361 | A | 72.7 | Confident | 73.7 | Confident | 29.6667 Ų | 29.6667 | 54.4 Ų | 54.4 | 25% | 0.245 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.8 | -42 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A2357 T2358 A2359 L2364 A2365 | A2357-A2361 VanDerWaalsContact O-CB 3.27Å; A2357-A2361 WeakPolarHBondContact O-CB 3.4Å; A2357-A2361 PolarHBondContact O-N 3.1Å; A2357-A2361 VanDerWaalsContact O-N 3.1Å; T2358-A2361 PolarHBondContact O-N 2.89Å; A2359-A2361 PolarHBondContact O-N 3.38Å; A2361-L2364 PolarHBondContact O-N 3.11Å; A2361-A2365 WeakPolarHBondContact O-CB 3.35Å; A2361-A2365 PolarHBondContact O-N 3Å |
| 2362 | L | 71.9 | Confident | 73.7 | Confident | 39.6667 Ų | 39.6667 | 54.5 Ų | 54.5 | 21% | 0.208 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 174.7 | -102.6 | 166.4 | 0 | 0 | 0 | 111.8 | T2358 A2359 S2360 L2364 A2365 E2366 M2769 Q2772 L2773 L2779 | T2358-L2362 WeakPolarHBondContact O-CB 3.42Å; T2358-L2362 VanDerWaalsContact O-CG 3.32Å; T2358-L2362 WeakPolarHBondContact O-CG 3.08Å; T2358-L2362 PolarHBondContact O-N 3.29Å; A2359-L2362 PolarHBondContact O-N 3.18Å; S2360-L2362 VanDerWaalsContact C-N 3.34Å; L2362-L2364 VanDerWaalsContact C-N 3.32Å; L2362-L2364 PolarHBondContact O-N 2.79Å; L2362-A2365 WeakPolarHBondContact O-CB 3.42Å; L2362-A2365 PolarHBondContact O-N 3.25Å; L2362-A2365 VanDerWaalsContact O-N 3.17Å; L2362-E2366 VanDerWaalsContact O-CB 3.3Å; L2362-E2366 WeakPolarHBondContact O-CB 3.3Å; L2362-E2366 PolarHBondContact O-N 3.15Å; L2362-M2769 HydrophobicContact CD1-CB 4.41Å; L2362-M2769 HydrophobicContact CD1-CG 4.44Å; L2362-Q2772 HydrophobicContact CD2-CB 4.37Å; L2362-L2773 HydrophobicContact CD1-CD1 3.61Å; L2362-L2773 HydrophobicContact CG-CD1 4.42Å; L2362-L2779 HydrophobicContact CD2-CD2 3.63Å; L2362-L2779 HydrophobicContact CG-CD2 3.78Å |
| 2363 | Q | 74.7 | Confident | 73.4 | Confident | 136 Ų | 136 | 56.5 Ų | 56.5 | 64% | 0.636 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -67.1 | -35.5 | 176.9 | -171.8 | 177.8 | -4.6 | 0 | 0 | 112.2 | A2359 S2360 G2367 | A2359-Q2363 WeakPolarHBondContact O-CB 3.22Å; A2359-Q2363 PolarHBondContact O-N 2.81Å; S2360-Q2363 PolarHBondContact O-N 3.03Å; Q2363-G2367 WeakPolarHBondContact O-CA 3.4Å; Q2363-G2367 PolarHBondContact O-N 3.29Å |
| 2364 | L | 74.9 | Confident | 73.4 | Confident | 95.3333 Ų | 95.3333 | 58.2 Ų | 58.2 | 50% | 0.499 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.3 | -42.3 | 172.1 | -175.5 | 75.8 | 0 | 0 | 0 | 110.8 | S2360 A2361 L2362 G2367 L2368 L2449 L2453 | S2360-L2364 WeakPolarHBondContact O-CA 3.08Å; S2360-L2364 VanDerWaalsContact O-CB 3.28Å; S2360-L2364 WeakPolarHBondContact O-CB 3.28Å; S2360-L2364 PolarHBondContact O-N 2.8Å; A2361-L2364 PolarHBondContact O-N 3.11Å; L2362-L2364 VanDerWaalsContact C-N 3.32Å; L2362-L2364 PolarHBondContact O-N 2.79Å; L2364-G2367 CarbonylContact O-C 3.53Å; L2364-G2367 PolarHBondContact O-N 2.81Å; L2364-L2368 HydrophobicContact CD1-CD1 4.4Å; L2364-L2368 HydrophobicContact CD2-CD1 4.35Å; L2364-L2368 HydrophobicContact CG-CD1 4.03Å; L2364-L2368 VanDerWaalsContact O-CB 3.24Å; L2364-L2368 WeakPolarHBondContact O-CB 3.38Å; L2364-L2368 WeakPolarHBondContact O-CD1 3.23Å; L2364-L2368 VanDerWaalsContact O-CG 3.25Å; L2364-L2368 WeakPolarHBondContact O-CG 3.3Å; L2364-L2368 PolarHBondContact O-N 3.04Å; L2364-L2449 HydrophobicContact CD2-CD1 4.48Å; L2364-L2453 HydrophobicContact CD2-CD2 4.39Å |
| 2365 | A | 72.7 | Confident | 73.4 | Confident | 16 Ų | 16 | 56.3 Ų | 56.3 | 13% | 0.132 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | A2361 L2362 G2367 L2368 I2369 L2779 | A2361-A2365 WeakPolarHBondContact O-CB 3.35Å; A2361-A2365 PolarHBondContact O-N 3Å; L2362-A2365 WeakPolarHBondContact O-CB 3.42Å; L2362-A2365 PolarHBondContact O-N 3.25Å; L2362-A2365 VanDerWaalsContact O-N 3.17Å; A2365-G2367 VanDerWaalsContact C-N 3.32Å; A2365-L2368 PolarHBondContact O-N 3.15Å; A2365-I2369 WeakPolarHBondContact O-CB 3.02Å; A2365-I2369 WeakPolarHBondContact O-CD1 3.44Å; A2365-I2369 VanDerWaalsContact O-CG1 3.3Å; A2365-I2369 WeakPolarHBondContact O-CG1 3.39Å; A2365-I2369 PolarHBondContact O-N 2.99Å; A2365-L2779 HydrophobicContact CB-CD2 4.2Å |
| 2366 | E | 72 | Confident | 73.5 | Confident | 74.6667 Ų | 74.6667 | 60.4 Ų | 60.4 | 35% | 0.349 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 172.9 | -174.4 | 175.3 | -158.2 | 0 | 0 | 111.5 | L2362 L2368 I2369 S2370 Q2772 N2776 L2779 | L2362-E2366 VanDerWaalsContact O-CB 3.3Å; L2362-E2366 WeakPolarHBondContact O-CB 3.3Å; L2362-E2366 PolarHBondContact O-N 3.15Å; E2366-L2368 VanDerWaalsContact C-N 3.34Å; E2366-L2368 PolarHBondContact O-N 2.78Å; E2366-I2369 PolarHBondContact O-N 2.72Å; E2366-S2370 WeakPolarHBondContact O-CB 3.36Å; E2366-S2370 PolarHBondContact O-N 3.26Å; E2366-S2370 PolarHBondContact O-OG 2.94Å; E2366-Q2772 PolarHBondContact OE2-NE2 3.41Å; E2366-N2776 PolarHBondContact OE1-ND2 2.79Å; E2366-L2779 HydrophobicContact CB-CD1 4.07Å; E2366-L2779 HydrophobicContact CB-CD2 4.28Å; E2366-L2779 HydrophobicContact CG-CD1 4.2Å |
| 2367 | G | 75.6 | Confident | 73.4 | Confident | 35.6667 Ų | 35.6667 | 62 Ų | 62 | 37% | 0.368 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.4 | -38.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q2363 L2364 A2365 S2370 F2371 | Q2363-G2367 WeakPolarHBondContact O-CA 3.4Å; Q2363-G2367 PolarHBondContact O-N 3.29Å; L2364-G2367 CarbonylContact O-C 3.53Å; L2364-G2367 PolarHBondContact O-N 2.81Å; A2365-G2367 VanDerWaalsContact C-N 3.32Å; G2367-S2370 WeakPolarHBondContact CA-OG 3.37Å; G2367-S2370 PolarHBondContact O-N 3.08Å; G2367-S2370 PolarHBondContact O-OG 3.07Å; G2367-F2371 WeakPolarHBondContact O-CA 3.38Å; G2367-F2371 WeakPolarHBondContact O-CB 3.38Å; G2367-F2371 PolarHBondContact O-N 3.04Å |
| 2368 | L | 72.8 | Confident | 73.4 | Confident | 37.6667 Ų | 37.6667 | 63 Ų | 63 | 20% | 0.197 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -69.5 | -39.5 | 175.8 | -80.5 | 160.1 | 0 | 0 | 0 | 112.4 | L2364 A2365 E2366 F2371 N2372 L2447 L2449 | L2364-L2368 HydrophobicContact CD1-CD1 4.4Å; L2364-L2368 HydrophobicContact CD2-CD1 4.35Å; L2364-L2368 HydrophobicContact CG-CD1 4.03Å; L2364-L2368 VanDerWaalsContact O-CB 3.24Å; L2364-L2368 WeakPolarHBondContact O-CB 3.38Å; L2364-L2368 WeakPolarHBondContact O-CD1 3.23Å; L2364-L2368 VanDerWaalsContact O-CG 3.25Å; L2364-L2368 WeakPolarHBondContact O-CG 3.3Å; L2364-L2368 PolarHBondContact O-N 3.04Å; A2365-L2368 PolarHBondContact O-N 3.15Å; E2366-L2368 VanDerWaalsContact C-N 3.34Å; E2366-L2368 PolarHBondContact O-N 2.78Å; L2368-F2371 PolarHBondContact O-N 3.19Å; L2368-N2372 WeakPolarHBondContact O-CB 3.41Å; L2368-N2372 PolarHBondContact O-N 3.28Å; L2368-L2447 HydrophobicContact CD2-CB 3.95Å; L2368-L2447 HydrophobicContact CD2-CD2 4.21Å; L2368-L2449 HydrophobicContact CD1-CD1 3.35Å; L2368-L2449 VanDerWaalsContact CD1-CD1 3.48Å |
| 2369 | I | 72.5 | Confident | 73.5 | Confident | 70.3333 Ų | 70.3333 | 63.3 Ų | 63.3 | 36% | 0.361 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.7 | -50 | 173.5 | -68.8 | 163.3 | 0 | 0 | 0 | 109.5 | A2365 E2366 F2371 N2372 E2373 L2779 L2782 | A2365-I2369 WeakPolarHBondContact O-CB 3.02Å; A2365-I2369 WeakPolarHBondContact O-CD1 3.44Å; A2365-I2369 VanDerWaalsContact O-CG1 3.3Å; A2365-I2369 WeakPolarHBondContact O-CG1 3.39Å; A2365-I2369 PolarHBondContact O-N 2.99Å; E2366-I2369 PolarHBondContact O-N 2.72Å; I2369-F2371 VanDerWaalsContact C-N 3.34Å; I2369-F2371 PolarHBondContact O-N 3.37Å; I2369-N2372 CarbonylContact O-C 3.57Å; I2369-N2372 PolarHBondContact O-N 2.86Å; I2369-N2372 VanDerWaalsContact O-N 3.12Å; I2369-E2373 HydrophobicContact CG2-CG 4.49Å; I2369-E2373 WeakPolarHBondContact O-CG 3.42Å; I2369-E2373 PolarHBondContact O-N 3Å; I2369-L2779 HydrophobicContact CD1-CD1 4.08Å; I2369-L2779 HydrophobicContact CD1-CG 3.87Å; I2369-L2782 HydrophobicContact CD1-CD1 3.82Å |
| 2370 | S | 71.2 | Confident | 73.5 | Confident | 52.3333 Ų | 52.3333 | 65.6 Ų | 65.6 | 37% | 0.366 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.3 | -35.9 | 177.9 | 97 | 0 | 0 | 0 | 0 | 112.8 | E2366 G2367 T2374 | E2366-S2370 WeakPolarHBondContact O-CB 3.36Å; E2366-S2370 PolarHBondContact O-N 3.26Å; E2366-S2370 PolarHBondContact O-OG 2.94Å; G2367-S2370 WeakPolarHBondContact CA-OG 3.37Å; G2367-S2370 PolarHBondContact O-N 3.08Å; G2367-S2370 PolarHBondContact O-OG 3.07Å; S2370-T2374 WeakPolarHBondContact O-CB 3.35Å; S2370-T2374 VanDerWaalsContact O-CG2 3.3Å; S2370-T2374 WeakPolarHBondContact O-CG2 3.41Å; S2370-T2374 PolarHBondContact O-N 3.27Å; S2370-T2374 PolarHBondContact O-OG1 3.13Å |
| 2371 | F | 75.2 | Confident | 73.5 | Confident | 97.6667 Ų | 97.6667 | 66 Ų | 66 | 43% | 0.428 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.3 | -43.9 | 172.4 | 177.8 | -95.6 | 0 | 0 | 0 | 111.5 | G2367 L2368 I2369 T2374 A2375 L2447 | G2367-F2371 WeakPolarHBondContact O-CA 3.38Å; G2367-F2371 WeakPolarHBondContact O-CB 3.38Å; G2367-F2371 PolarHBondContact O-N 3.04Å; L2368-F2371 PolarHBondContact O-N 3.19Å; I2369-F2371 VanDerWaalsContact C-N 3.34Å; I2369-F2371 PolarHBondContact O-N 3.37Å; F2371-T2374 WeakPolarHBondContact CA-OG1 3.25Å; F2371-T2374 PolarHBondContact O-N 3.26Å; F2371-T2374 PolarHBondContact O-OG1 3.09Å; F2371-A2375 HydrophobicContact CE1-CB 4.33Å; F2371-A2375 HydrophobicContact CZ-CB 4.34Å; F2371-A2375 WeakPolarHBondContact O-CB 3.38Å; F2371-A2375 PolarHBondContact O-N 3.46Å; F2371-L2447 HydrophobicContact CD1-CB 4.21Å; F2371-L2447 HydrophobicContact CE1-CB 4.12Å; F2371-L2447 HydrophobicContact CE1-CD1 4.31Å; F2371-L2447 HydrophobicContact CE1-CD2 4.4Å |
| 2372 | N | 74.6 | Confident | 73.7 | Confident | 55 Ų | 55 | 68.5 Ų | 68.5 | 29% | 0.294 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.5 | -41.4 | 178.5 | -169.4 | 50.1 | 0 | 0 | 0 | 111.5 | L2368 I2369 A2375 E2376 | L2368-N2372 WeakPolarHBondContact O-CB 3.41Å; L2368-N2372 PolarHBondContact O-N 3.28Å; I2369-N2372 CarbonylContact O-C 3.57Å; I2369-N2372 PolarHBondContact O-N 2.86Å; I2369-N2372 VanDerWaalsContact O-N 3.12Å; N2372-A2375 PolarHBondContact O-N 3.26Å; N2372-E2376 WeakPolarHBondContact O-CA 3.32Å; N2372-E2376 VanDerWaalsContact O-CB 3.3Å; N2372-E2376 WeakPolarHBondContact O-CB 3.31Å; N2372-E2376 PolarHBondContact O-N 3.21Å |
| 2373 | E | 72.7 | Confident | 73.9 | Confident | 101.333 Ų | 101.333 | 69.3 Ų | 69.3 | 47% | 0.474 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 174.4 | -73 | 179 | 176.6 | 0 | 0 | 112 | I2369 A2375 E2376 W2377 | I2369-E2373 HydrophobicContact CG2-CG 4.49Å; I2369-E2373 WeakPolarHBondContact O-CG 3.42Å; I2369-E2373 PolarHBondContact O-N 3Å; E2373-A2375 PolarHBondContact O-N 3.32Å; E2373-E2376 PolarHBondContact O-N 2.94Å; E2373-W2377 HydrophobicContact CB-CH2 3.71Å; E2373-W2377 HydrophobicContact CB-CZ2 3.62Å; E2373-W2377 HydrophobicContact CB-CZ3 4.3Å; E2373-W2377 HydrophobicContact CG-CZ2 4.26Å; E2373-W2377 VanDerWaalsContact O-CB 3.22Å; E2373-W2377 WeakPolarHBondContact O-CB 3.45Å; E2373-W2377 PolarHBondContact O-N 3.02Å; E2373-W2377 WeakPolarHBondContact OE2-CH2 3.37Å |
| 2374 | T | 74.1 | Confident | 73.8 | Confident | 74.3333 Ų | 74.3333 | 64.9 Ų | 64.9 | 46% | 0.456 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -70.7 | -35.5 | 178.6 | 50.4 | 0 | 0 | 0 | 0 | 112.8 | S2370 F2371 W2377 A2378 | S2370-T2374 WeakPolarHBondContact O-CB 3.35Å; S2370-T2374 VanDerWaalsContact O-CG2 3.3Å; S2370-T2374 WeakPolarHBondContact O-CG2 3.41Å; S2370-T2374 PolarHBondContact O-N 3.27Å; S2370-T2374 PolarHBondContact O-OG1 3.13Å; F2371-T2374 WeakPolarHBondContact CA-OG1 3.25Å; F2371-T2374 PolarHBondContact O-N 3.26Å; F2371-T2374 PolarHBondContact O-OG1 3.09Å; T2374-W2377 HydrophobicContact CG2-CE3 3.88Å; T2374-W2377 HydrophobicContact CG2-CZ3 3.63Å; T2374-W2377 PolarHBondContact O-N 3.5Å; T2374-A2378 VanDerWaalsContact O-CB 3.24Å; T2374-A2378 WeakPolarHBondContact O-CB 3.17Å; T2374-A2378 PolarHBondContact O-N 2.95Å |
| 2375 | A | 72.8 | Confident | 73.8 | Confident | 14.3333 Ų | 14.3333 | 63.1 Ų | 63.1 | 12% | 0.118 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68.5 | -42.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | F2371 N2372 E2373 W2377 A2378 M2379 | F2371-A2375 HydrophobicContact CE1-CB 4.33Å; F2371-A2375 HydrophobicContact CZ-CB 4.34Å; F2371-A2375 WeakPolarHBondContact O-CB 3.38Å; F2371-A2375 PolarHBondContact O-N 3.46Å; N2372-A2375 PolarHBondContact O-N 3.26Å; E2373-A2375 PolarHBondContact O-N 3.32Å; A2375-W2377 VanDerWaalsContact C-N 3.35Å; A2375-W2377 PolarHBondContact O-N 3.43Å; A2375-A2378 PolarHBondContact O-N 3.02Å; A2375-M2379 VanDerWaalsContact O-CB 3.26Å; A2375-M2379 WeakPolarHBondContact O-CB 3.27Å; A2375-M2379 VanDerWaalsContact O-CG 3.27Å; A2375-M2379 WeakPolarHBondContact O-CG 3.33Å; A2375-M2379 PolarHBondContact O-N 3.03Å |
| 2376 | E | 74.9 | Confident | 74 | Confident | 105.667 Ų | 105.667 | 64.9 Ų | 64.9 | 49% | 0.494 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61 | -44.8 | 173.6 | -175.9 | 175.5 | 179.9 | 0 | 0 | 111 | N2372 E2373 A2378 M2379 N2380 | N2372-E2376 WeakPolarHBondContact O-CA 3.32Å; N2372-E2376 VanDerWaalsContact O-CB 3.3Å; N2372-E2376 WeakPolarHBondContact O-CB 3.31Å; N2372-E2376 PolarHBondContact O-N 3.21Å; E2373-E2376 PolarHBondContact O-N 2.94Å; E2376-A2378 PolarHBondContact O-N 2.99Å; E2376-M2379 PolarHBondContact O-N 3.26Å; E2376-N2380 WeakPolarHBondContact CG-ND2 3.37Å; E2376-N2380 WeakPolarHBondContact O-CB 3.39Å; E2376-N2380 VanDerWaalsContact O-CG 3.28Å; E2376-N2380 PolarHBondContact O-N 3Å; E2376-N2380 PolarHBondContact O-ND2 2.99Å; E2376-N2380 VanDerWaalsContact O-ND2 3.12Å |
| 2377 | W | 73.5 | Confident | 74.3 | Confident | 99.3333 Ų | 99.3333 | 62.7 Ų | 62.7 | 38% | 0.376 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60 | -46.1 | 174 | -154.6 | 59.4 | 0 | 0 | 0 | 112.3 | P1497 N1509 E2373 T2374 A2375 M2379 N2380 R2381 | P1497-W2377 HydrophobicContact CB-CB 4.16Å; P1497-W2377 HydrophobicContact CB-CD2 4.39Å; P1497-W2377 HydrophobicContact CB-CE3 4.38Å; P1497-W2377 HydrophobicContact CB-CG 4.3Å; P1497-W2377 HydrophobicContact CG-CB 4.08Å; N1509-W2377 HydrophobicContact CB-CD2 4.04Å; N1509-W2377 HydrophobicContact CB-CG 4.3Å; N1509-W2377 HydrophobicContact CB-CZ2 4.24Å; N1509-W2377 VanDerWaalsContact ND2-CH2 3.26Å; N1509-W2377 WeakPolarHBondContact ND2-CH2 3.36Å; N1509-W2377 VanDerWaalsContact ND2-CZ2 3.29Å; N1509-W2377 WeakPolarHBondContact ND2-CZ2 3.27Å; N1509-W2377 WeakPolarHBondContact ND2-CZ3 3.17Å; E2373-W2377 HydrophobicContact CB-CH2 3.71Å; E2373-W2377 HydrophobicContact CB-CZ2 3.62Å; E2373-W2377 HydrophobicContact CB-CZ3 4.3Å; E2373-W2377 HydrophobicContact CG-CZ2 4.26Å; E2373-W2377 VanDerWaalsContact O-CB 3.22Å; E2373-W2377 WeakPolarHBondContact O-CB 3.45Å; E2373-W2377 PolarHBondContact O-N 3.02Å; E2373-W2377 WeakPolarHBondContact OE2-CH2 3.37Å; T2374-W2377 HydrophobicContact CG2-CE3 3.88Å; T2374-W2377 HydrophobicContact CG2-CZ3 3.63Å; T2374-W2377 PolarHBondContact O-N 3.5Å; A2375-W2377 VanDerWaalsContact C-N 3.35Å; A2375-W2377 PolarHBondContact O-N 3.43Å; W2377-M2379 VanDerWaalsContact C-N 3.33Å; W2377-M2379 PolarHBondContact O-N 2.97Å; W2377-N2380 PolarHBondContact O-N 3.05Å; W2377-R2381 VanDerWaalsContact O-CB 3.29Å; W2377-R2381 WeakPolarHBondContact O-CB 3.2Å; W2377-R2381 PolarHBondContact O-N 3.15Å |
| 2378 | A | 73.1 | Confident | 74.3 | Confident | 49.6667 Ų | 49.6667 | 63.9 Ų | 63.9 | 41% | 0.41 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.8 | -38.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T2374 A2375 E2376 R2381 L2382 | T2374-A2378 VanDerWaalsContact O-CB 3.24Å; T2374-A2378 WeakPolarHBondContact O-CB 3.17Å; T2374-A2378 PolarHBondContact O-N 2.95Å; A2375-A2378 PolarHBondContact O-N 3.02Å; E2376-A2378 PolarHBondContact O-N 2.99Å; A2378-R2381 WeakPolarHBondContact O-CB 3.42Å; A2378-R2381 PolarHBondContact O-N 3.09Å; A2378-L2382 VanDerWaalsContact O-CB 3.25Å; A2378-L2382 WeakPolarHBondContact O-CB 3.32Å; A2378-L2382 PolarHBondContact O-N 3.02Å |
| 2379 | M | 73.7 | Confident | 74.5 | Confident | 47.6667 Ų | 47.6667 | 65.4 Ų | 65.4 | 24% | 0.235 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -70.9 | -41.3 | 176.7 | -71.1 | -59.3 | -65.6 | 0 | 0 | 112 | A2375 E2376 W2377 R2381 L2382 Q2383 I2442 | A2375-M2379 VanDerWaalsContact O-CB 3.26Å; A2375-M2379 WeakPolarHBondContact O-CB 3.27Å; A2375-M2379 VanDerWaalsContact O-CG 3.27Å; A2375-M2379 WeakPolarHBondContact O-CG 3.33Å; A2375-M2379 PolarHBondContact O-N 3.03Å; E2376-M2379 PolarHBondContact O-N 3.26Å; W2377-M2379 VanDerWaalsContact C-N 3.33Å; W2377-M2379 PolarHBondContact O-N 2.97Å; M2379-R2381 VanDerWaalsContact C-N 3.31Å; M2379-R2381 PolarHBondContact O-N 2.92Å; M2379-L2382 HydrophobicContact CE-CD2 4.03Å; M2379-L2382 PolarHBondContact O-N 3.06Å; M2379-L2382 HydrophobicContact SD-CD2 4.16Å; M2379-Q2383 WeakPolarHBondContact O-CB 3.25Å; M2379-Q2383 PolarHBondContact O-N 2.94Å; M2379-I2442 HydrophobicContact CE-CG2 3.24Å |
| 2380 | N | 74.4 | Confident | 74.7 | Confident | 77 Ų | 77 | 65.1 Ų | 65.1 | 41% | 0.412 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.3 | -38.8 | 173.1 | -73.8 | -25.9 | 0 | 0 | 0 | 111.3 | A1513 E2376 W2377 Q2383 A2384 | A1513-N2380 HydrophobicContact CB-CB 4.28Å; E2376-N2380 WeakPolarHBondContact CG-ND2 3.37Å; E2376-N2380 WeakPolarHBondContact O-CB 3.39Å; E2376-N2380 VanDerWaalsContact O-CG 3.28Å; E2376-N2380 PolarHBondContact O-N 3Å; E2376-N2380 PolarHBondContact O-ND2 2.99Å; E2376-N2380 VanDerWaalsContact O-ND2 3.12Å; W2377-N2380 PolarHBondContact O-N 3.05Å; N2380-Q2383 PolarHBondContact O-N 2.73Å; N2380-A2384 VanDerWaalsContact O-CB 3.22Å; N2380-A2384 WeakPolarHBondContact O-CB 3.32Å; N2380-A2384 PolarHBondContact O-N 3.08Å |
| 2381 | R | 74.2 | Confident | 74.9 | Confident | 77.6667 Ų | 77.6667 | 68.8 Ų | 68.8 | 29% | 0.293 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.3 | -49.5 | 173.5 | -178 | 70.1 | -172.4 | 132.5 | 5.7 | 111.4 | A1513 P1515 W2377 A2378 M2379 Q2383 A2384 D2385 | A1513-R2381 WeakPolarHBondContact O-CA 3.44Å; A1513-R2381 WeakPolarHBondContact O-CD 3.29Å; P1515-R2381 VanDerWaalsContact CG-NH2 3.32Å; W2377-R2381 VanDerWaalsContact O-CB 3.29Å; W2377-R2381 WeakPolarHBondContact O-CB 3.2Å; W2377-R2381 PolarHBondContact O-N 3.15Å; A2378-R2381 WeakPolarHBondContact O-CB 3.42Å; A2378-R2381 PolarHBondContact O-N 3.09Å; M2379-R2381 VanDerWaalsContact C-N 3.31Å; M2379-R2381 PolarHBondContact O-N 2.92Å; R2381-Q2383 VanDerWaalsContact C-N 3.34Å; R2381-Q2383 PolarHBondContact O-N 2.75Å; R2381-A2384 PolarHBondContact O-N 3.09Å; R2381-D2385 IonicContact CZ-OD1 3.38Å; R2381-D2385 VanDerWaalsContact CZ-OD1 3.23Å; R2381-D2385 IonicContact CZ-OD2 3.02Å; R2381-D2385 IonicContact NE-OD1 3.81Å; R2381-D2385 IonicContact NE-OD2 3.34Å; R2381-D2385 PolarHBondContact NE-OD2 3.4Å; R2381-D2385 IonicContact NH1-OD1 3.22Å; R2381-D2385 PolarHBondContact NH1-OD1 3.14Å; R2381-D2385 IonicContact NH1-OD2 3.98Å; R2381-D2385 PolarHBondContact NH1-OD2 3.34Å; R2381-D2385 IonicContact NH2-OD1 2.96Å; R2381-D2385 PolarHBondContact NH2-OD1 2.9Å; R2381-D2385 IonicContact NH2-OD2 2.97Å; R2381-D2385 PolarHBondContact NH2-OD2 3.16Å; R2381-D2385 WeakPolarHBondContact O-CB 3.34Å; R2381-D2385 PolarHBondContact O-N 2.92Å |
| 2382 | L | 76.5 | Confident | 74.9 | Confident | 80.6667 Ų | 80.6667 | 66.7 Ų | 66.7 | 42% | 0.422 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 178.1 | -178.1 | 118.4 | 0 | 0 | 0 | 111.7 | A2378 M2379 D2385 L2386 I2442 | A2378-L2382 VanDerWaalsContact O-CB 3.25Å; A2378-L2382 WeakPolarHBondContact O-CB 3.32Å; A2378-L2382 PolarHBondContact O-N 3.02Å; M2379-L2382 HydrophobicContact CE-CD2 4.03Å; M2379-L2382 PolarHBondContact O-N 3.06Å; M2379-L2382 HydrophobicContact SD-CD2 4.16Å; L2382-D2385 PolarHBondContact O-N 2.79Å; L2382-L2386 HydrophobicContact CD1-CD1 4.22Å; L2382-L2386 HydrophobicContact CD1-CG 4.39Å; L2382-L2386 HydrophobicContact CD2-CD1 3.86Å; L2382-L2386 HydrophobicContact CD2-CG 4.32Å; L2382-L2386 HydrophobicContact CG-CD1 4.21Å; L2382-L2386 HydrophobicContact CG-CG 4.38Å; L2382-L2386 VanDerWaalsContact O-CB 3.24Å; L2382-L2386 WeakPolarHBondContact O-CB 3.42Å; L2382-L2386 VanDerWaalsContact O-CG 3.26Å; L2382-L2386 WeakPolarHBondContact O-CG 3.25Å; L2382-L2386 PolarHBondContact O-N 3.14Å; L2382-I2442 HydrophobicContact CD2-CD1 4.29Å |
| 2383 | Q | 75.7 | Confident | 75 | Confident | 57.6667 Ų | 57.6667 | 67.6 Ų | 67.6 | 27% | 0.269 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 175.3 | -174.7 | -178.1 | -10.5 | 0 | 0 | 111.3 | M2379 N2380 R2381 D2385 L2386 V2387 F2439 | M2379-Q2383 WeakPolarHBondContact O-CB 3.25Å; M2379-Q2383 PolarHBondContact O-N 2.94Å; N2380-Q2383 PolarHBondContact O-N 2.73Å; R2381-Q2383 VanDerWaalsContact C-N 3.34Å; R2381-Q2383 PolarHBondContact O-N 2.75Å; Q2383-D2385 VanDerWaalsContact C-N 3.33Å; Q2383-D2385 PolarHBondContact O-N 3.28Å; Q2383-L2386 PolarHBondContact O-N 3.07Å; Q2383-V2387 HydrophobicContact CG-CG2 4.24Å; Q2383-V2387 VanDerWaalsContact O-CB 3.27Å; Q2383-V2387 WeakPolarHBondContact O-CB 3.37Å; Q2383-V2387 WeakPolarHBondContact O-CG2 3.22Å; Q2383-V2387 PolarHBondContact O-N 3.07Å; Q2383-F2439 PolarHBondContact NE2-O 2.86Å |
| 2384 | A | 73.7 | Confident | 75.2 | Confident | 42.3333 Ų | 42.3333 | 63.3 Ų | 63.3 | 35% | 0.35 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | N2380 R2381 V2387 E2388 | N2380-A2384 VanDerWaalsContact O-CB 3.22Å; N2380-A2384 WeakPolarHBondContact O-CB 3.32Å; N2380-A2384 PolarHBondContact O-N 3.08Å; R2381-A2384 PolarHBondContact O-N 3.09Å; A2384-V2387 PolarHBondContact O-N 3.02Å; A2384-E2388 WeakPolarHBondContact O-CB 3.35Å; A2384-E2388 PolarHBondContact O-N 3.12Å |
| 2385 | D | 75 | Confident | 75.3 | Confident | 57.3333 Ų | 57.3333 | 65.3 Ų | 65.3 | 31% | 0.307 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.3 | -39.1 | 177.8 | -73.7 | -20.6 | 0 | 0 | 0 | 112 | R2381 L2382 Q2383 E2388 T2389 | R2381-D2385 IonicContact CZ-OD1 3.38Å; R2381-D2385 VanDerWaalsContact CZ-OD1 3.23Å; R2381-D2385 IonicContact CZ-OD2 3.02Å; R2381-D2385 IonicContact NE-OD1 3.81Å; R2381-D2385 IonicContact NE-OD2 3.34Å; R2381-D2385 PolarHBondContact NE-OD2 3.4Å; R2381-D2385 IonicContact NH1-OD1 3.22Å; R2381-D2385 PolarHBondContact NH1-OD1 3.14Å; R2381-D2385 IonicContact NH1-OD2 3.98Å; R2381-D2385 PolarHBondContact NH1-OD2 3.34Å; R2381-D2385 IonicContact NH2-OD1 2.96Å; R2381-D2385 PolarHBondContact NH2-OD1 2.9Å; R2381-D2385 IonicContact NH2-OD2 2.97Å; R2381-D2385 PolarHBondContact NH2-OD2 3.16Å; R2381-D2385 WeakPolarHBondContact O-CB 3.34Å; R2381-D2385 PolarHBondContact O-N 2.92Å; L2382-D2385 PolarHBondContact O-N 2.79Å; Q2383-D2385 VanDerWaalsContact C-N 3.33Å; Q2383-D2385 PolarHBondContact O-N 3.28Å; D2385-E2388 PolarHBondContact O-N 3.05Å; D2385-T2389 VanDerWaalsContact O-CB 3.29Å; D2385-T2389 WeakPolarHBondContact O-CB 3.41Å; D2385-T2389 VanDerWaalsContact O-CG2 3.3Å; D2385-T2389 WeakPolarHBondContact O-CG2 3.19Å; D2385-T2389 PolarHBondContact O-N 3.16Å; D2385-T2389 PolarHBondContact O-OG1 2.85Å |
| 2386 | L | 76 | Confident | 75.6 | Confident | 53.6667 Ų | 53.6667 | 66.4 Ų | 66.4 | 28% | 0.281 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.7 | -44.2 | 174.8 | -77 | 173.1 | 0 | 0 | 0 | 112.2 | L2382 Q2383 E2388 T2389 E2390 F2439 I2442 | L2382-L2386 HydrophobicContact CD1-CD1 4.22Å; L2382-L2386 HydrophobicContact CD1-CG 4.39Å; L2382-L2386 HydrophobicContact CD2-CD1 3.86Å; L2382-L2386 HydrophobicContact CD2-CG 4.32Å; L2382-L2386 HydrophobicContact CG-CD1 4.21Å; L2382-L2386 HydrophobicContact CG-CG 4.38Å; L2382-L2386 VanDerWaalsContact O-CB 3.24Å; L2382-L2386 WeakPolarHBondContact O-CB 3.42Å; L2382-L2386 VanDerWaalsContact O-CG 3.26Å; L2382-L2386 WeakPolarHBondContact O-CG 3.25Å; L2382-L2386 PolarHBondContact O-N 3.14Å; Q2383-L2386 PolarHBondContact O-N 3.07Å; L2386-E2388 VanDerWaalsContact C-N 3.29Å; L2386-E2388 PolarHBondContact O-N 3.3Å; L2386-T2389 WeakPolarHBondContact CA-OG1 3.04Å; L2386-T2389 PolarHBondContact O-N 3.15Å; L2386-T2389 VanDerWaalsContact O-N 3.17Å; L2386-T2389 PolarHBondContact O-OG1 3.01Å; L2386-T2389 VanDerWaalsContact O-OG1 3.06Å; L2386-E2390 VanDerWaalsContact O-CB 3.3Å; L2386-E2390 WeakPolarHBondContact O-CB 2.96Å; L2386-E2390 PolarHBondContact O-N 2.88Å; L2386-F2439 HydrophobicContact CB-CD1 4.31Å; L2386-F2439 HydrophobicContact CB-CE1 4.45Å; L2386-F2439 HydrophobicContact CD1-CD1 3.92Å; L2386-F2439 HydrophobicContact CD1-CE1 4.05Å; L2386-F2439 HydrophobicContact CD2-CE1 4.1Å; L2386-F2439 HydrophobicContact CG-CD1 4.44Å; L2386-F2439 HydrophobicContact CG-CE1 4.48Å; L2386-I2442 HydrophobicContact CD1-CD1 3.99Å |
| 2387 | V | 77.4 | Confident | 75.7 | Confident | 29.6667 Ų | 29.6667 | 65.5 Ų | 65.5 | 18% | 0.18 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68.2 | -36.1 | 177.7 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | Q2383 A2384 E2390 R2391 F2439 | Q2383-V2387 HydrophobicContact CG-CG2 4.24Å; Q2383-V2387 VanDerWaalsContact O-CB 3.27Å; Q2383-V2387 WeakPolarHBondContact O-CB 3.37Å; Q2383-V2387 WeakPolarHBondContact O-CG2 3.22Å; Q2383-V2387 PolarHBondContact O-N 3.07Å; A2384-V2387 PolarHBondContact O-N 3.02Å; V2387-E2390 PolarHBondContact O-N 2.87Å; V2387-R2391 VanDerWaalsContact CG1-NH2 3.32Å; V2387-R2391 WeakPolarHBondContact O-CB 3.3Å; V2387-R2391 VanDerWaalsContact O-CG 3.31Å; V2387-R2391 WeakPolarHBondContact O-CG 3.3Å; V2387-R2391 PolarHBondContact O-N 3.09Å; V2387-F2439 HydrophobicContact CG2-CB 4.43Å |
| 2388 | E | 75.9 | Confident | 75.9 | Confident | 61.3333 Ų | 61.3333 | 68.5 Ų | 68.5 | 29% | 0.287 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -69.9 | -37.3 | 174.6 | -163.4 | 66.1 | -173.6 | 0 | 0 | 111.6 | A2384 D2385 L2386 E2390 R2391 A2392 | A2384-E2388 WeakPolarHBondContact O-CB 3.35Å; A2384-E2388 PolarHBondContact O-N 3.12Å; D2385-E2388 PolarHBondContact O-N 3.05Å; L2386-E2388 VanDerWaalsContact C-N 3.29Å; L2386-E2388 PolarHBondContact O-N 3.3Å; E2388-E2390 VanDerWaalsContact C-N 3.33Å; E2388-E2390 PolarHBondContact O-N 2.97Å; E2388-R2391 PolarHBondContact O-N 2.87Å; E2388-R2391 WeakPolarHBondContact OE2-CD 3.4Å; E2388-R2391 IonicContact OE2-CZ 3.01Å; E2388-R2391 IonicContact OE2-NH1 3.19Å; E2388-R2391 PolarHBondContact OE2-NH1 3.32Å; E2388-A2392 VanDerWaalsContact O-CB 3.27Å; E2388-A2392 WeakPolarHBondContact O-CB 3.3Å; E2388-A2392 PolarHBondContact O-N 3.07Å |
| 2389 | T | 76.5 | Confident | 76.3 | Confident | 68.3333 Ų | 68.3333 | 67.5 Ų | 67.5 | 42% | 0.419 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.1 | -39.2 | 172.5 | 26.3 | 0 | 0 | 0 | 0 | 112 | D2385 L2386 R2391 A2392 L2393 | D2385-T2389 VanDerWaalsContact O-CB 3.29Å; D2385-T2389 WeakPolarHBondContact O-CB 3.41Å; D2385-T2389 VanDerWaalsContact O-CG2 3.3Å; D2385-T2389 WeakPolarHBondContact O-CG2 3.19Å; D2385-T2389 PolarHBondContact O-N 3.16Å; D2385-T2389 PolarHBondContact O-OG1 2.85Å; L2386-T2389 WeakPolarHBondContact CA-OG1 3.04Å; L2386-T2389 PolarHBondContact O-N 3.15Å; L2386-T2389 VanDerWaalsContact O-N 3.17Å; L2386-T2389 PolarHBondContact O-OG1 3.01Å; L2386-T2389 VanDerWaalsContact O-OG1 3.06Å; T2389-R2391 VanDerWaalsContact C-N 3.33Å; T2389-R2391 PolarHBondContact O-N 2.86Å; T2389-A2392 PolarHBondContact O-N 3.1Å; T2389-L2393 HydrophobicContact CG2-CD1 3.83Å; T2389-L2393 VanDerWaalsContact O-CB 3.32Å; T2389-L2393 WeakPolarHBondContact O-CB 3.35Å; T2389-L2393 VanDerWaalsContact O-CD1 3.28Å; T2389-L2393 WeakPolarHBondContact O-CD1 3.35Å; T2389-L2393 WeakPolarHBondContact O-CG 3.39Å; T2389-L2393 PolarHBondContact O-N 2.85Å |
| 2390 | E | 77 | Confident | 76.7 | Confident | 64.3333 Ų | 64.3333 | 66.7 Ų | 66.7 | 30% | 0.301 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.8 | -46.1 | 173 | -176.4 | -176.6 | 175.8 | 0 | 0 | 111.1 | L2386 V2387 E2388 A2392 L2393 G2394 L2427 I2433 | L2386-E2390 VanDerWaalsContact O-CB 3.3Å; L2386-E2390 WeakPolarHBondContact O-CB 2.96Å; L2386-E2390 PolarHBondContact O-N 2.88Å; V2387-E2390 PolarHBondContact O-N 2.87Å; E2388-E2390 VanDerWaalsContact C-N 3.33Å; E2388-E2390 PolarHBondContact O-N 2.97Å; E2390-A2392 VanDerWaalsContact C-N 3.34Å; E2390-A2392 PolarHBondContact O-N 2.77Å; E2390-L2393 PolarHBondContact O-N 3.01Å; E2390-G2394 PolarHBondContact O-N 3.01Å; E2390-L2427 HydrophobicContact CG-CD1 3.76Å; E2390-I2433 HydrophobicContact CB-CD1 4.42Å; E2390-I2433 HydrophobicContact CG-CD1 3.75Å |
| 2391 | R | 76.4 | Confident | 76.9 | Confident | 129.333 Ų | 129.333 | 64.1 Ų | 64.1 | 49% | 0.488 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.3 | -43 | 175.4 | -99.5 | -178.3 | -137.8 | 114.3 | 6.9 | 112 | V2387 E2388 T2389 G2394 N2395 | V2387-R2391 VanDerWaalsContact CG1-NH2 3.32Å; V2387-R2391 WeakPolarHBondContact O-CB 3.3Å; V2387-R2391 VanDerWaalsContact O-CG 3.31Å; V2387-R2391 WeakPolarHBondContact O-CG 3.3Å; V2387-R2391 PolarHBondContact O-N 3.09Å; E2388-R2391 PolarHBondContact O-N 2.87Å; E2388-R2391 WeakPolarHBondContact OE2-CD 3.4Å; E2388-R2391 IonicContact OE2-CZ 3.01Å; E2388-R2391 IonicContact OE2-NH1 3.19Å; E2388-R2391 PolarHBondContact OE2-NH1 3.32Å; T2389-R2391 VanDerWaalsContact C-N 3.33Å; T2389-R2391 PolarHBondContact O-N 2.86Å; R2391-G2394 PolarHBondContact O-N 3.29Å; R2391-N2395 VanDerWaalsContact O-CB 3.24Å; R2391-N2395 WeakPolarHBondContact O-CB 3.39Å; R2391-N2395 VanDerWaalsContact O-CG 3.31Å; R2391-N2395 PolarHBondContact O-N 2.97Å; R2391-N2395 PolarHBondContact O-ND2 3.22Å |
| 2392 | A | 75.7 | Confident | 77.2 | Confident | 54.6667 Ų | 54.6667 | 61.6 Ų | 61.6 | 45% | 0.452 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.6 | -39.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | E2388 T2389 E2390 N2395 S2396 | E2388-A2392 VanDerWaalsContact O-CB 3.27Å; E2388-A2392 WeakPolarHBondContact O-CB 3.3Å; E2388-A2392 PolarHBondContact O-N 3.07Å; T2389-A2392 PolarHBondContact O-N 3.1Å; E2390-A2392 VanDerWaalsContact C-N 3.34Å; E2390-A2392 PolarHBondContact O-N 2.77Å; A2392-N2395 CarbonylContact O-C 3.58Å; A2392-N2395 PolarHBondContact O-N 3.32Å; A2392-S2396 WeakPolarHBondContact O-CA 3.31Å; A2392-S2396 WeakPolarHBondContact O-CB 3.33Å; A2392-S2396 PolarHBondContact O-N 2.79Å |
| 2393 | L | 77 | Confident | 77.5 | Confident | 74 Ų | 74 | 61.6 Ų | 61.6 | 39% | 0.387 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.5 | -50.8 | 172.1 | -87.4 | 135.8 | 0 | 0 | 0 | 110.9 | T2389 E2390 N2395 S2396 L2399 L2427 L2432 | T2389-L2393 HydrophobicContact CG2-CD1 3.83Å; T2389-L2393 VanDerWaalsContact O-CB 3.32Å; T2389-L2393 WeakPolarHBondContact O-CB 3.35Å; T2389-L2393 VanDerWaalsContact O-CD1 3.28Å; T2389-L2393 WeakPolarHBondContact O-CD1 3.35Å; T2389-L2393 WeakPolarHBondContact O-CG 3.39Å; T2389-L2393 PolarHBondContact O-N 2.85Å; E2390-L2393 PolarHBondContact O-N 3.01Å; L2393-N2395 VanDerWaalsContact C-N 3.29Å; L2393-N2395 PolarHBondContact O-N 3.14Å; L2393-S2396 WeakPolarHBondContact O-CB 3.32Å; L2393-S2396 PolarHBondContact O-N 3.27Å; L2393-S2396 VanDerWaalsContact O-N 3.14Å; L2393-L2399 VanDerWaalsContact O-CD1 3.26Å; L2393-L2399 WeakPolarHBondContact O-CD1 3.44Å; L2393-L2427 HydrophobicContact CB-CD2 4.13Å; L2393-L2432 HydrophobicContact CD2-CD1 4.42Å |
| 2394 | G | 74.9 | Confident | 77.9 | Confident | 11.3333 Ų | 11.3333 | 62.1 Ų | 62.1 | 12% | 0.117 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.3 | -36 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E2390 R2391 R2403 | E2390-G2394 PolarHBondContact O-N 3.01Å; R2391-G2394 PolarHBondContact O-N 3.29Å; G2394-R2403 PolarHBondContact O-NE 2.71Å; G2394-R2403 PolarHBondContact O-NH2 3.01Å |
| 2395 | N | 78 | Confident | 78.2 | Confident | 115.667 Ų | 115.667 | 62.6 Ų | 62.6 | 62% | 0.619 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -1.2 | 179 | -67.4 | -22 | 0 | 0 | 0 | 114.1 | R2391 A2392 L2393 D2397 R2403 | R2391-N2395 VanDerWaalsContact O-CB 3.24Å; R2391-N2395 WeakPolarHBondContact O-CB 3.39Å; R2391-N2395 VanDerWaalsContact O-CG 3.31Å; R2391-N2395 PolarHBondContact O-N 2.97Å; R2391-N2395 PolarHBondContact O-ND2 3.22Å; A2392-N2395 CarbonylContact O-C 3.58Å; A2392-N2395 PolarHBondContact O-N 3.32Å; L2393-N2395 VanDerWaalsContact C-N 3.29Å; L2393-N2395 PolarHBondContact O-N 3.14Å; N2395-D2397 PolarHBondContact O-N 2.93Å; N2395-R2403 VanDerWaalsContact C-NH2 3.29Å; N2395-R2403 PolarHBondContact O-NH2 2.95Å |
| 2396 | S | 78.9 | Confident | 78.5 | Confident | 38 Ų | 38 | 61.8 Ų | 61.8 | 27% | 0.266 | 32% | 0.32 | S | S | . | . | trans | -56.2 | 133.7 | -176.6 | 179.6 | 0 | 0 | 0 | 0 | 112.7 | A2392 L2393 W2398 L2399 R2403 | A2392-S2396 WeakPolarHBondContact O-CA 3.31Å; A2392-S2396 WeakPolarHBondContact O-CB 3.33Å; A2392-S2396 PolarHBondContact O-N 2.79Å; L2393-S2396 WeakPolarHBondContact O-CB 3.32Å; L2393-S2396 PolarHBondContact O-N 3.27Å; L2393-S2396 VanDerWaalsContact O-N 3.14Å; S2396-W2398 PolarHBondContact O-N 2.99Å; S2396-W2398 PolarHBondContact OG-N 2.98Å; S2396-L2399 PolarHBondContact O-N 3.21Å; S2396-L2399 VanDerWaalsContact O-N 3.12Å; S2396-R2403 PolarHBondContact O-NH2 3.27Å | ||
| 2397 | D | 77.2 | Confident | 78.8 | Confident | 85.6667 Ų | 85.6667 | 62.3 Ų | 62.3 | 46% | 0.458 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -61.1 | -31.5 | 178.1 | -67 | -41 | 0 | 0 | 0 | 112 | K1530 N2395 L2399 T2400 | K1530-D2397 WeakPolarHBondContact CE-OD2 3.45Å; K1530-D2397 IonicContact NZ-OD2 3.08Å; K1530-D2397 PolarHBondContact NZ-OD2 2.04Å; N2395-D2397 PolarHBondContact O-N 2.93Å; D2397-L2399 VanDerWaalsContact C-N 3.26Å; D2397-L2399 PolarHBondContact O-N 3.03Å; D2397-T2400 WeakPolarHBondContact CA-OG1 3.4Å; D2397-T2400 VanDerWaalsContact O-CB 3.26Å; D2397-T2400 WeakPolarHBondContact O-CB 3.27Å; D2397-T2400 PolarHBondContact O-N 3.04Å; D2397-T2400 VanDerWaalsContact O-N 3.08Å; D2397-T2400 PolarHBondContact O-OG1 2.87Å |
| 2398 | W | 77.1 | Confident | 79 | Confident | 163.333 Ų | 163.333 | 63.4 Ų | 63.4 | 62% | 0.619 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -63.6 | -29.7 | 177.1 | -97.2 | 87.8 | 0 | 0 | 0 | 112.9 | C1533 L1537 Y1585 S2396 T2400 | C1533-W2398 VanDerWaalsContact SG-CZ3 3.58Å; L1537-W2398 HydrophobicContact CD1-CE3 4.44Å; Y1585-W2398 HydrophobicContact CD1-CZ2 4.14Å; Y1585-W2398 HydrophobicContact CE1-CZ2 4.37Å; S2396-W2398 PolarHBondContact O-N 2.99Å; S2396-W2398 PolarHBondContact OG-N 2.98Å; W2398-T2400 VanDerWaalsContact C-N 3.3Å; W2398-T2400 PolarHBondContact O-N 3.29Å |
| 2399 | L | 81.5 | Confident | 79.1 | Confident | 28.3333 Ų | 28.3333 | 61.4 Ų | 61.4 | 15% | 0.148 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -88.7 | 8.3 | 178.9 | -63.3 | -177.8 | 0 | 0 | 0 | 113.3 | L2393 S2396 D2397 G2401 A2402 R2403 F2426 L2432 | L2393-L2399 VanDerWaalsContact O-CD1 3.26Å; L2393-L2399 WeakPolarHBondContact O-CD1 3.44Å; S2396-L2399 PolarHBondContact O-N 3.21Å; S2396-L2399 VanDerWaalsContact O-N 3.12Å; D2397-L2399 VanDerWaalsContact C-N 3.26Å; D2397-L2399 PolarHBondContact O-N 3.03Å; L2399-G2401 VanDerWaalsContact C-N 3.3Å; L2399-G2401 PolarHBondContact O-N 3.12Å; L2399-A2402 PolarHBondContact O-N 2.96Å; L2399-A2402 VanDerWaalsContact O-N 3.15Å; L2399-R2403 VanDerWaalsContact O-CB 3.31Å; L2399-R2403 WeakPolarHBondContact O-CB 3.5Å; L2399-R2403 PolarHBondContact O-N 3.28Å; L2399-F2426 HydrophobicContact CB-CE1 4.2Å; L2399-F2426 HydrophobicContact CB-CZ 4.05Å; L2399-F2426 HydrophobicContact CD1-CE1 4.24Å; L2399-F2426 HydrophobicContact CD1-CZ 4.35Å; L2399-L2432 HydrophobicContact CD1-CD1 3.47Å; L2399-L2432 HydrophobicContact CD2-CD1 4Å; L2399-L2432 HydrophobicContact CG-CD1 4.38Å |
| 2400 | T | 81 | Confident | 79.2 | Confident | 30.6667 Ų | 30.6667 | 60.1 Ų | 60.1 | 19% | 0.188 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.1 | -44.1 | -178.8 | -58.7 | 0 | 0 | 0 | 0 | 112.1 | Q1534 A1538 D2397 W2398 A2402 R2403 I2404 | Q1534-T2400 HydrophobicContact CG-CG2 4.07Å; Q1534-T2400 PolarHBondContact NE2-OG1 2.67Å; A1538-T2400 HydrophobicContact CB-CG2 4.18Å; D2397-T2400 WeakPolarHBondContact CA-OG1 3.4Å; D2397-T2400 VanDerWaalsContact O-CB 3.26Å; D2397-T2400 WeakPolarHBondContact O-CB 3.27Å; D2397-T2400 PolarHBondContact O-N 3.04Å; D2397-T2400 VanDerWaalsContact O-N 3.08Å; D2397-T2400 PolarHBondContact O-OG1 2.87Å; W2398-T2400 VanDerWaalsContact C-N 3.3Å; W2398-T2400 PolarHBondContact O-N 3.29Å; T2400-A2402 PolarHBondContact O-N 2.9Å; T2400-R2403 WeakPolarHBondContact O-CB 3.22Å; T2400-R2403 PolarHBondContact O-N 3.37Å; T2400-R2403 PolarHBondContact OG1-NH1 2.89Å; T2400-I2404 HydrophobicContact CG2-CD1 4.23Å; T2400-I2404 WeakPolarHBondContact O-CG1 3.34Å; T2400-I2404 PolarHBondContact O-N 3.04Å |
| 2401 | G | 79.8 | Confident | 79.4 | Confident | 22 Ų | 22 | 62.9 Ų | 62.9 | 23% | 0.227 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.4 | -46 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L2399 R2403 I2404 I2405 | L2399-G2401 VanDerWaalsContact C-N 3.3Å; L2399-G2401 PolarHBondContact O-N 3.12Å; G2401-R2403 VanDerWaalsContact C-N 3.3Å; G2401-R2403 PolarHBondContact O-N 3.21Å; G2401-I2404 WeakPolarHBondContact O-CB 3.43Å; G2401-I2404 PolarHBondContact O-N 3.07Å; G2401-I2405 WeakPolarHBondContact O-CG1 3.45Å; G2401-I2405 PolarHBondContact O-N 3.13Å; G2401-I2405 VanDerWaalsContact O-N 3.08Å |
| 2402 | A | 80.7 | Confident | 79.3 | Confident | 24.5 Ų | 24.5 | 59.7 Ų | 59.7 | 20% | 0.202 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.5 | -36.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L2399 T2400 I2405 Y2406 F2426 W2429 T2430 | L2399-A2402 PolarHBondContact O-N 2.96Å; L2399-A2402 VanDerWaalsContact O-N 3.15Å; T2400-A2402 PolarHBondContact O-N 2.9Å; A2402-I2405 PolarHBondContact O-N 3.12Å; A2402-Y2406 VanDerWaalsContact O-CB 3.27Å; A2402-Y2406 WeakPolarHBondContact O-CB 3.36Å; A2402-Y2406 PolarHBondContact O-N 2.9Å; A2402-F2426 VanDerWaalsContact C-CE2 3.49Å; A2402-F2426 HydrophobicContact CB-CE2 4.03Å; A2402-F2426 HydrophobicContact CB-CZ 4.03Å; A2402-W2429 HydrophobicContact CB-CZ3 4.4Å; A2402-T2430 HydrophobicContact CB-CG2 4.17Å |
| 2403 | R | 82.8 | Confident | 79.1 | Confident | 81 Ų | 81 | 60 Ų | 60 | 31% | 0.306 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.2 | -39.7 | 177.9 | -164.6 | -174.8 | -60.4 | 128.2 | 6.4 | 111.7 | G2394 N2395 S2396 L2399 T2400 G2401 Y2406 S2407 F2426 | G2394-R2403 PolarHBondContact O-NE 2.71Å; G2394-R2403 PolarHBondContact O-NH2 3.01Å; N2395-R2403 VanDerWaalsContact C-NH2 3.29Å; N2395-R2403 PolarHBondContact O-NH2 2.95Å; S2396-R2403 PolarHBondContact O-NH2 3.27Å; L2399-R2403 VanDerWaalsContact O-CB 3.31Å; L2399-R2403 WeakPolarHBondContact O-CB 3.5Å; L2399-R2403 PolarHBondContact O-N 3.28Å; T2400-R2403 WeakPolarHBondContact O-CB 3.22Å; T2400-R2403 PolarHBondContact O-N 3.37Å; T2400-R2403 PolarHBondContact OG1-NH1 2.89Å; G2401-R2403 VanDerWaalsContact C-N 3.3Å; G2401-R2403 PolarHBondContact O-N 3.21Å; R2403-Y2406 PolarHBondContact O-N 3.01Å; R2403-S2407 WeakPolarHBondContact O-CB 3.38Å; R2403-S2407 PolarHBondContact O-N 3.21Å; R2403-S2407 PolarHBondContact O-OG 3.35Å; R2403-F2426 VanDerWaalsContact CA-CE2 3.42Å; R2403-F2426 HydrophobicContact CB-CE1 4.34Å; R2403-F2426 HydrophobicContact CB-CE2 4.09Å; R2403-F2426 HydrophobicContact CB-CZ 3.8Å; R2403-F2426 HydrophobicContact CG-CE2 4.46Å; R2403-F2426 HydrophobicContact CG-CZ 4.37Å |
| 2404 | I | 83.1 | Confident | 78.6 | Confident | 68 Ų | 68 | 61.1 Ų | 61.1 | 35% | 0.349 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.5 | -49.9 | 174.3 | -68.4 | 163.9 | 0 | 0 | 0 | 110.1 | T2400 G2401 Y2406 S2407 E2408 | T2400-I2404 HydrophobicContact CG2-CD1 4.23Å; T2400-I2404 WeakPolarHBondContact O-CG1 3.34Å; T2400-I2404 PolarHBondContact O-N 3.04Å; G2401-I2404 WeakPolarHBondContact O-CB 3.43Å; G2401-I2404 PolarHBondContact O-N 3.07Å; I2404-Y2406 VanDerWaalsContact C-N 3.33Å; I2404-Y2406 PolarHBondContact O-N 3.11Å; I2404-S2407 PolarHBondContact O-N 3.31Å; I2404-S2407 PolarHBondContact O-OG 2.81Å; I2404-E2408 PolarHBondContact O-N 3.35Å |
| 2405 | I | 80.3 | Confident | 78.1 | Confident | 53 Ų | 53 | 66.4 Ų | 66.4 | 27% | 0.272 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 178.2 | -61.6 | 165.6 | 0 | 0 | 0 | 110.8 | G2401 A2402 S2407 E2408 V2409 W2429 | G2401-I2405 WeakPolarHBondContact O-CG1 3.45Å; G2401-I2405 PolarHBondContact O-N 3.13Å; G2401-I2405 VanDerWaalsContact O-N 3.08Å; A2402-I2405 PolarHBondContact O-N 3.12Å; I2405-S2407 VanDerWaalsContact C-N 3.32Å; I2405-S2407 PolarHBondContact O-N 3.19Å; I2405-E2408 CarbonylContact O-C 3.6Å; I2405-E2408 WeakPolarHBondContact O-CB 3.3Å; I2405-E2408 PolarHBondContact O-N 2.86Å; I2405-E2408 VanDerWaalsContact O-N 3.16Å; I2405-V2409 HydrophobicContact CG2-CG2 4.36Å; I2405-V2409 WeakPolarHBondContact O-CG2 3.27Å; I2405-V2409 PolarHBondContact O-N 2.98Å; I2405-W2429 HydrophobicContact CB-CH2 4.2Å; I2405-W2429 HydrophobicContact CG2-CH2 3.73Å; I2405-W2429 HydrophobicContact CG2-CZ2 4.24Å |
| 2406 | Y | 82.4 | Confident | 77.4 | Confident | 41.5 Ų | 41.5 | 65.4 Ų | 65.4 | 16% | 0.163 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 177.4 | 175.5 | -99.6 | 0 | 0 | 0 | 112.3 | A2402 R2403 I2404 E2408 V2409 V2410 R2424 F2426 W2429 | A2402-Y2406 VanDerWaalsContact O-CB 3.27Å; A2402-Y2406 WeakPolarHBondContact O-CB 3.36Å; A2402-Y2406 PolarHBondContact O-N 2.9Å; R2403-Y2406 PolarHBondContact O-N 3.01Å; I2404-Y2406 VanDerWaalsContact C-N 3.33Å; I2404-Y2406 PolarHBondContact O-N 3.11Å; Y2406-E2408 VanDerWaalsContact C-N 3.27Å; Y2406-E2408 PolarHBondContact O-N 2.99Å; Y2406-V2409 PolarHBondContact O-N 2.99Å; Y2406-V2410 HydrophobicContact CD1-CG2 4.13Å; Y2406-V2410 HydrophobicContact CD2-CG2 4.35Å; Y2406-V2410 HydrophobicContact CE1-CG2 3.66Å; Y2406-V2410 HydrophobicContact CE2-CG2 3.92Å; Y2406-V2410 HydrophobicContact CG-CG2 4.45Å; Y2406-V2410 WeakPolarHBondContact O-CB 3.12Å; Y2406-V2410 VanDerWaalsContact O-CG2 3.31Å; Y2406-V2410 WeakPolarHBondContact O-CG2 3.23Å; Y2406-V2410 PolarHBondContact O-N 3.21Å; Y2406-R2424 VanDerWaalsContact CE2-O 3.29Å; Y2406-R2424 WeakPolarHBondContact CE2-O 3.26Å; Y2406-R2424 VanDerWaalsContact CZ-O 3.28Å; Y2406-R2424 PolarHBondContact OH-O 2.84Å; Y2406-R2424 VanDerWaalsContact OH-O 3.13Å; Y2406-F2426 HydrophobicContact CD1-CB 3.98Å; Y2406-F2426 AromaticContact CD1-CD2 3.79Å; Y2406-F2426 HydrophobicContact CD1-CD2 3.79Å; Y2406-F2426 HydrophobicContact CD1-CG 4.26Å; Y2406-F2426 HydrophobicContact CD2-CD2 4.15Å; Y2406-F2426 HydrophobicContact CE1-CB 3.87Å; Y2406-F2426 HydrophobicContact CE1-CD2 4.49Å; Y2406-F2426 HydrophobicContact CE2-CB 4.36Å; Y2406-F2426 HydrophobicContact CG-CB 4.36Å; Y2406-F2426 AromaticContact CG-CD2 3.58Å; Y2406-F2426 HydrophobicContact CG-CD2 3.58Å; Y2406-F2426 HydrophobicContact CG-CE2 4.39Å; Y2406-F2426 HydrophobicContact CG-CG 4.42Å; Y2406-F2426 PolarHBondContact OH-N 3.26Å; Y2406-W2429 HydrophobicContact CD2-CB 3.94Å; Y2406-W2429 AromaticContact CD2-CD2 3.72Å; Y2406-W2429 HydrophobicContact CD2-CD2 3.72Å; Y2406-W2429 AromaticContact CD2-CE3 3.82Å; Y2406-W2429 HydrophobicContact CD2-CE3 3.82Å; Y2406-W2429 AromaticContact CD2-CG 3.76Å; Y2406-W2429 HydrophobicContact CD2-CG 3.76Å; Y2406-W2429 HydrophobicContact CD2-CZ3 4.46Å; Y2406-W2429 HydrophobicContact CE2-CB 3.94Å; Y2406-W2429 HydrophobicContact CE2-CD2 4.39Å; Y2406-W2429 AromaticContact CE2-CG 3.97Å; Y2406-W2429 HydrophobicContact CE2-CG 4.14Å; Y2406-W2429 HydrophobicContact CG-CE3 4.28Å |
| 2407 | S | 82.1 | Confident | 76.4 | Confident | 64.5 Ų | 64.5 | 68.7 Ų | 68.7 | 45% | 0.451 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.3 | -36 | 176.6 | 74.3 | 0 | 0 | 0 | 0 | 112.1 | R2403 I2404 I2405 R2411 | R2403-S2407 WeakPolarHBondContact O-CB 3.38Å; R2403-S2407 PolarHBondContact O-N 3.21Å; R2403-S2407 PolarHBondContact O-OG 3.35Å; I2404-S2407 PolarHBondContact O-N 3.31Å; I2404-S2407 PolarHBondContact O-OG 2.81Å; I2405-S2407 VanDerWaalsContact C-N 3.32Å; I2405-S2407 PolarHBondContact O-N 3.19Å; S2407-R2411 VanDerWaalsContact O-CB 3.31Å; S2407-R2411 WeakPolarHBondContact O-CB 3.38Å; S2407-R2411 PolarHBondContact O-N 3.08Å |
| 2408 | E | 80.9 | Confident | 75.6 | Confident | 51.5 Ų | 51.5 | 69.7 Ų | 69.7 | 24% | 0.241 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -73.8 | -39.7 | 176.2 | -170.8 | 62.2 | -170.6 | 0 | 0 | 112.1 | I2404 I2405 Y2406 V2410 R2411 L2412 | I2404-E2408 PolarHBondContact O-N 3.35Å; I2405-E2408 CarbonylContact O-C 3.6Å; I2405-E2408 WeakPolarHBondContact O-CB 3.3Å; I2405-E2408 PolarHBondContact O-N 2.86Å; I2405-E2408 VanDerWaalsContact O-N 3.16Å; Y2406-E2408 VanDerWaalsContact C-N 3.27Å; Y2406-E2408 PolarHBondContact O-N 2.99Å; E2408-V2410 VanDerWaalsContact C-N 3.34Å; E2408-V2410 PolarHBondContact O-N 2.92Å; E2408-R2411 VanDerWaalsContact CD-NE 3.3Å; E2408-R2411 WeakPolarHBondContact O-CB 3.46Å; E2408-R2411 PolarHBondContact O-N 3.03Å; E2408-R2411 IonicContact OE1-CZ 3.31Å; E2408-R2411 VanDerWaalsContact OE1-CZ 3.24Å; E2408-R2411 IonicContact OE1-NE 3.31Å; E2408-R2411 PolarHBondContact OE1-NE 3.46Å; E2408-R2411 IonicContact OE1-NH2 3.03Å; E2408-R2411 PolarHBondContact OE1-NH2 3.15Å; E2408-R2411 IonicContact OE2-CZ 3.78Å; E2408-R2411 IonicContact OE2-NE 3.15Å; E2408-R2411 PolarHBondContact OE2-NE 3.08Å; E2408-R2411 IonicContact OE2-NH2 3.78Å; E2408-R2411 PolarHBondContact OE2-NH2 3.38Å; E2408-L2412 HydrophobicContact CG-CD1 4.29Å; E2408-L2412 WeakPolarHBondContact O-CB 3.47Å; E2408-L2412 VanDerWaalsContact O-CG 3.28Å; E2408-L2412 WeakPolarHBondContact O-CG 3.18Å; E2408-L2412 PolarHBondContact O-N 3.45Å |
| 2409 | V | 78.4 | Confident | 74.9 | Confident | 19.5 Ų | 19.5 | 67.7 Ų | 67.7 | 12% | 0.118 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 173.3 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | I2405 Y2406 L2412 R2413 W2429 | I2405-V2409 HydrophobicContact CG2-CG2 4.36Å; I2405-V2409 WeakPolarHBondContact O-CG2 3.27Å; I2405-V2409 PolarHBondContact O-N 2.98Å; Y2406-V2409 PolarHBondContact O-N 2.99Å; V2409-L2412 PolarHBondContact O-N 3.1Å; V2409-R2413 WeakPolarHBondContact O-CB 3.44Å; V2409-R2413 WeakPolarHBondContact O-CG 3.28Å; V2409-R2413 PolarHBondContact O-N 2.92Å; V2409-W2429 HydrophobicContact CG2-CZ2 4.31Å |
| 2410 | V | 78.5 | Confident | 74 | Confident | 40.5 Ų | 40.5 | 73 Ų | 73 | 25% | 0.245 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.8 | -46.5 | 173.7 | 171.2 | 0 | 0 | 0 | 0 | 110.3 | Y2406 E2408 L2412 R2413 T2414 T2423 | Y2406-V2410 HydrophobicContact CD1-CG2 4.13Å; Y2406-V2410 HydrophobicContact CD2-CG2 4.35Å; Y2406-V2410 HydrophobicContact CE1-CG2 3.66Å; Y2406-V2410 HydrophobicContact CE2-CG2 3.92Å; Y2406-V2410 HydrophobicContact CG-CG2 4.45Å; Y2406-V2410 WeakPolarHBondContact O-CB 3.12Å; Y2406-V2410 VanDerWaalsContact O-CG2 3.31Å; Y2406-V2410 WeakPolarHBondContact O-CG2 3.23Å; Y2406-V2410 PolarHBondContact O-N 3.21Å; E2408-V2410 VanDerWaalsContact C-N 3.34Å; E2408-V2410 PolarHBondContact O-N 2.92Å; V2410-L2412 VanDerWaalsContact C-N 3.31Å; V2410-L2412 PolarHBondContact O-N 2.79Å; V2410-R2413 PolarHBondContact O-N 2.93Å; V2410-T2414 HydrophobicContact CG1-CG2 4.46Å; V2410-T2414 WeakPolarHBondContact O-CG2 3.4Å; V2410-T2414 PolarHBondContact O-N 2.88Å; V2410-T2414 PolarHBondContact O-OG1 3.02Å; V2410-T2423 HydrophobicContact CG2-CG2 4.49Å |
| 2411 | R | 80.5 | Confident | 73.1 | Confident | 123.5 Ų | 123.5 | 74.6 Ų | 74.6 | 47% | 0.466 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.1 | -37.2 | 177.3 | -164.7 | -169.7 | 72.4 | 74.8 | 0.8 | 112.8 | S2407 E2408 T2414 L2415 | S2407-R2411 VanDerWaalsContact O-CB 3.31Å; S2407-R2411 WeakPolarHBondContact O-CB 3.38Å; S2407-R2411 PolarHBondContact O-N 3.08Å; E2408-R2411 VanDerWaalsContact CD-NE 3.3Å; E2408-R2411 WeakPolarHBondContact O-CB 3.46Å; E2408-R2411 PolarHBondContact O-N 3.03Å; E2408-R2411 IonicContact OE1-CZ 3.31Å; E2408-R2411 VanDerWaalsContact OE1-CZ 3.24Å; E2408-R2411 IonicContact OE1-NE 3.31Å; E2408-R2411 PolarHBondContact OE1-NE 3.46Å; E2408-R2411 IonicContact OE1-NH2 3.03Å; E2408-R2411 PolarHBondContact OE1-NH2 3.15Å; E2408-R2411 IonicContact OE2-CZ 3.78Å; E2408-R2411 IonicContact OE2-NE 3.15Å; E2408-R2411 PolarHBondContact OE2-NE 3.08Å; E2408-R2411 IonicContact OE2-NH2 3.78Å; E2408-R2411 PolarHBondContact OE2-NH2 3.38Å; R2411-T2414 PolarHBondContact O-N 2.9Å; R2411-T2414 PolarHBondContact O-OG1 2.83Å; R2411-L2415 WeakPolarHBondContact O-CG 3.37Å |
| 2412 | L | 75.3 | Confident | 72.4 | Confident | 63.5 Ų | 63.5 | 78.5 Ų | 78.5 | 33% | 0.332 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -74.8 | -36.9 | 176.8 | -69.9 | 170.5 | 0 | 0 | 0 | 112.3 | E2408 V2409 V2410 T2414 L2415 T2416 | E2408-L2412 HydrophobicContact CG-CD1 4.29Å; E2408-L2412 WeakPolarHBondContact O-CB 3.47Å; E2408-L2412 VanDerWaalsContact O-CG 3.28Å; E2408-L2412 WeakPolarHBondContact O-CG 3.18Å; E2408-L2412 PolarHBondContact O-N 3.45Å; V2409-L2412 PolarHBondContact O-N 3.1Å; V2410-L2412 VanDerWaalsContact C-N 3.31Å; V2410-L2412 PolarHBondContact O-N 2.79Å; L2412-T2414 VanDerWaalsContact C-N 3.3Å; L2412-T2414 PolarHBondContact O-N 2.82Å; L2412-L2415 PolarHBondContact O-N 3.16Å; L2412-T2416 PolarHBondContact O-OG1 3.37Å |
| 2413 | R | 71.2 | Confident | 71.7 | Confident | 59 Ų | 59 | 80.3 Ų | 80.3 | 22% | 0.223 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -68.3 | -33.4 | 174.9 | -82.3 | -121.7 | -175.5 | 103.1 | 4.1 | 113.3 | V2409 V2410 L2415 T2416 D2421 T2423 | V2409-R2413 WeakPolarHBondContact O-CB 3.44Å; V2409-R2413 WeakPolarHBondContact O-CG 3.28Å; V2409-R2413 PolarHBondContact O-N 2.92Å; V2410-R2413 PolarHBondContact O-N 2.93Å; R2413-L2415 PolarHBondContact O-N 3.15Å; R2413-T2416 CarbonylContact O-C 3.26Å; R2413-T2416 PolarHBondContact O-N 2.82Å; R2413-D2421 PolarHBondContact NH1-O 2.82Å; R2413-D2421 VanDerWaalsContact NH1-O 3.14Å; R2413-T2423 HydrophobicContact CB-CG2 3.87Å; R2413-T2423 HydrophobicContact CG-CG2 3.54Å |
| 2414 | T | 66.4 | Low | 71.2 | Confident | 99 Ų | 99 | 82.1 Ų | 82.1 | 61% | 0.607 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -18.1 | 176.4 | 53.2 | 0 | 0 | 0 | 0 | 113.7 | V2410 R2411 L2412 | V2410-T2414 HydrophobicContact CG1-CG2 4.46Å; V2410-T2414 WeakPolarHBondContact O-CG2 3.4Å; V2410-T2414 PolarHBondContact O-N 2.88Å; V2410-T2414 PolarHBondContact O-OG1 3.02Å; R2411-T2414 PolarHBondContact O-N 2.9Å; R2411-T2414 PolarHBondContact O-OG1 2.83Å; L2412-T2414 VanDerWaalsContact C-N 3.3Å; L2412-T2414 PolarHBondContact O-N 2.82Å |
| 2415 | L | 64.6 | Low | 70.8 | Confident | 121.5 Ų | 121.5 | 82.5 Ų | 82.5 | 64% | 0.636 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -22.1 | 175.7 | -65.8 | 168.5 | 0 | 0 | 0 | 113.5 | R2411 L2412 R2413 | R2411-L2415 WeakPolarHBondContact O-CG 3.37Å; L2412-L2415 PolarHBondContact O-N 3.16Å; R2413-L2415 PolarHBondContact O-N 3.15Å |
| 2416 | T | 62.4 | Low | 70.8 | Confident | 94.5 Ų | 94.5 | 81.3 Ų | 81.3 | 58% | 0.58 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -141.1 | 81.2 | 177 | 40.6 | 0 | 0 | 0 | 0 | 110 | L2412 R2413 D2418 | L2412-T2416 PolarHBondContact O-OG1 3.37Å; R2413-T2416 CarbonylContact O-C 3.26Å; R2413-T2416 PolarHBondContact O-N 2.82Å; T2416-D2418 PolarHBondContact O-N 3.14Å; T2416-D2418 VanDerWaalsContact O-N 3.11Å |
| 2417 | P | 58.7 | Low | 70.5 | Confident | 108.5 Ų | 108.5 | 80.2 Ų | 80.2 | 71% | 0.705 | 44% | 0.443 | S | S | * | . | trans | -75.7 | 104 | -177.7 | 29.2 | -32.2 | 0 | 0 | 0 | 110.8 | ||||
| 2418 | D | 60.5 | Low | 70 | Confident | 106 Ų | 106 | 77.7 Ų | 77.7 | 57% | 0.567 | 43% | 0.426 | S | S | * | . | trans | -82.6 | 119.6 | 167.7 | -164 | -19.2 | 0 | 0 | 0 | 108.9 | T2416 N2420 | T2416-D2418 PolarHBondContact O-N 3.14Å; T2416-D2418 VanDerWaalsContact O-N 3.11Å; D2418-N2420 PolarHBondContact O-N 2.99Å; D2418-N2420 VanDerWaalsContact O-N 3.07Å; D2418-N2420 WeakPolarHBondContact OD1-CB 3.35Å; D2418-N2420 PolarHBondContact OD1-N 3.28Å; D2418-N2420 PolarHBondContact OD1-ND2 2.88Å | ||
| 2419 | P | 62.2 | Low | 69.8 | Low | 121.5 Ų | 121.5 | 78 Ų | 78 | 79% | 0.789 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -8.2 | -175.7 | 26.6 | -34.9 | 0 | 0 | 0 | 114.6 | ||
| 2420 | N | 62.3 | Low | 69.7 | Low | 139.5 Ų | 139.5 | 78.6 Ų | 78.6 | 75% | 0.746 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -11.9 | -175.1 | -64.7 | -49.7 | 0 | 0 | 0 | 114.9 | D2418 | D2418-N2420 PolarHBondContact O-N 2.99Å; D2418-N2420 VanDerWaalsContact O-N 3.07Å; D2418-N2420 WeakPolarHBondContact OD1-CB 3.35Å; D2418-N2420 PolarHBondContact OD1-N 3.28Å; D2418-N2420 PolarHBondContact OD1-ND2 2.88Å |
| 2421 | D | 62.7 | Low | 69.5 | Low | 64 Ų | 64 | 83.9 Ų | 83.9 | 34% | 0.342 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -144.9 | 83.7 | -175.3 | -151.8 | 31.9 | 0 | 0 | 0 | 112.6 | R2413 | R2413-D2421 PolarHBondContact NH1-O 2.82Å; R2413-D2421 VanDerWaalsContact NH1-O 3.14Å |
| 2422 | P | 65.2 | Low | 69 | Low | 103.5 Ų | 103.5 | 82 Ų | 82 | 67% | 0.672 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 148.1 | -178.8 | 26.3 | -33.9 | 0 | 0 | 0 | 112 | R2424 | P2422-R2424 PolarHBondContact O-N 2.99Š|
| 2423 | T | 65.9 | Low | 68.7 | Low | 63.5 Ų | 63.5 | 80.3 Ų | 80.3 | 39% | 0.39 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 111.1 | 173.6 | 45.3 | 0 | 0 | 0 | 0 | 110.5 | V2410 R2413 | V2410-T2423 HydrophobicContact CG2-CG2 4.49Å; R2413-T2423 HydrophobicContact CB-CG2 3.87Å; R2413-T2423 HydrophobicContact CG-CG2 3.54Å |
| 2424 | R | 72.1 | Confident | 68.2 | Low | 119 Ų | 119 | 81.5 Ų | 81.5 | 45% | 0.449 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 149.2 | 171.3 | -62.3 | -177.4 | 177.8 | -156.7 | -3.2 | 110.7 | Y2406 P2422 A2428 W2429 | Y2406-R2424 VanDerWaalsContact CE2-O 3.29Å; Y2406-R2424 WeakPolarHBondContact CE2-O 3.26Å; Y2406-R2424 VanDerWaalsContact CZ-O 3.28Å; Y2406-R2424 PolarHBondContact OH-O 2.84Å; Y2406-R2424 VanDerWaalsContact OH-O 3.13Å; P2422-R2424 PolarHBondContact O-N 2.99Å; R2424-A2428 HydrophobicContact CB-CB 4.24Å; R2424-A2428 VanDerWaalsContact CD-O 3.28Å; R2424-A2428 WeakPolarHBondContact CD-O 3.2Å; R2424-A2428 PolarHBondContact NH1-O 3.01Å; R2424-W2429 HydrophobicContact CB-CB 4.31Å |
| 2425 | S | 75 | Confident | 67.7 | Low | 76 Ų | 76 | 80.6 Ų | 80.6 | 53% | 0.531 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 155.5 | 172.8 | 64.4 | 0 | 0 | 0 | 0 | 111.4 | L2427 A2428 W2429 | S2425-L2427 VanDerWaalsContact C-N 3.26Å; S2425-L2427 PolarHBondContact O-N 3.08Å; S2425-L2427 VanDerWaalsContact O-N 3.15Å; S2425-A2428 CarbonylContact O-C 3.58Å; S2425-A2428 PolarHBondContact O-N 3.03Å; S2425-A2428 WeakPolarHBondContact OG-CB 3.15Å; S2425-W2429 WeakPolarHBondContact O-CB 3.26Å; S2425-W2429 PolarHBondContact O-N 2.95Å |
| 2426 | F | 78.7 | Confident | 67.3 | Low | 27 Ų | 27 | 83.5 Ų | 83.5 | 12% | 0.118 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -50.1 | -44.3 | -175.6 | 176.2 | -122.3 | 0 | 0 | 0 | 113.4 | L2399 A2402 R2403 Y2406 W2429 T2430 | L2399-F2426 HydrophobicContact CB-CE1 4.2Å; L2399-F2426 HydrophobicContact CB-CZ 4.05Å; L2399-F2426 HydrophobicContact CD1-CE1 4.24Å; L2399-F2426 HydrophobicContact CD1-CZ 4.35Å; A2402-F2426 VanDerWaalsContact C-CE2 3.49Å; A2402-F2426 HydrophobicContact CB-CE2 4.03Å; A2402-F2426 HydrophobicContact CB-CZ 4.03Å; R2403-F2426 VanDerWaalsContact CA-CE2 3.42Å; R2403-F2426 HydrophobicContact CB-CE1 4.34Å; R2403-F2426 HydrophobicContact CB-CE2 4.09Å; R2403-F2426 HydrophobicContact CB-CZ 3.8Å; R2403-F2426 HydrophobicContact CG-CE2 4.46Å; R2403-F2426 HydrophobicContact CG-CZ 4.37Å; Y2406-F2426 HydrophobicContact CD1-CB 3.98Å; Y2406-F2426 AromaticContact CD1-CD2 3.79Å; Y2406-F2426 HydrophobicContact CD1-CD2 3.79Å; Y2406-F2426 HydrophobicContact CD1-CG 4.26Å; Y2406-F2426 HydrophobicContact CD2-CD2 4.15Å; Y2406-F2426 HydrophobicContact CE1-CB 3.87Å; Y2406-F2426 HydrophobicContact CE1-CD2 4.49Å; Y2406-F2426 HydrophobicContact CE2-CB 4.36Å; Y2406-F2426 HydrophobicContact CG-CB 4.36Å; Y2406-F2426 AromaticContact CG-CD2 3.58Å; Y2406-F2426 HydrophobicContact CG-CD2 3.58Å; Y2406-F2426 HydrophobicContact CG-CE2 4.39Å; Y2406-F2426 HydrophobicContact CG-CG 4.42Å; Y2406-F2426 PolarHBondContact OH-N 3.26Å; F2426-W2429 HydrophobicContact CD2-CE3 4.43Å; F2426-W2429 HydrophobicContact CE2-CE3 4.45Å; F2426-W2429 PolarHBondContact O-N 2.99Å; F2426-T2430 HydrophobicContact CD2-CG2 4.13Å; F2426-T2430 HydrophobicContact CE2-CG2 3.65Å; F2426-T2430 HydrophobicContact CZ-CG2 3.97Å; F2426-T2430 WeakPolarHBondContact O-CB 3.38Å; F2426-T2430 WeakPolarHBondContact O-CG2 3.42Å; F2426-T2430 PolarHBondContact O-N 3.04Å; F2426-T2430 PolarHBondContact O-OG1 3.4Å |
| 2427 | L | 76.5 | Confident | 67 | Low | 19.5 Ų | 19.5 | 82.2 Ų | 82.2 | 10% | 0.102 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -71.9 | -29.5 | -179 | -69.7 | 162.3 | 0 | 0 | 0 | 113.3 | E2390 L2393 S2425 T2430 K2431 L2432 I2433 | E2390-L2427 HydrophobicContact CG-CD1 3.76Å; L2393-L2427 HydrophobicContact CB-CD2 4.13Å; S2425-L2427 VanDerWaalsContact C-N 3.26Å; S2425-L2427 PolarHBondContact O-N 3.08Å; S2425-L2427 VanDerWaalsContact O-N 3.15Å; L2427-T2430 WeakPolarHBondContact CA-OG1 3.45Å; L2427-T2430 PolarHBondContact O-OG1 3.26Å; L2427-T2430 VanDerWaalsContact O-OG1 3.1Å; L2427-K2431 PolarHBondContact O-N 3.16Å; L2427-L2432 HydrophobicContact CD2-CB 4.38Å; L2427-L2432 HydrophobicContact CD2-CD1 4.19Å; L2427-L2432 PolarHBondContact O-N 3.42Å; L2427-L2432 VanDerWaalsContact O-N 3.09Å; L2427-I2433 HydrophobicContact CB-CB 4.04Å; L2427-I2433 HydrophobicContact CB-CD1 3.97Å; L2427-I2433 HydrophobicContact CB-CG1 4.22Å; L2427-I2433 HydrophobicContact CD1-CD1 3.93Å; L2427-I2433 HydrophobicContact CD2-CD1 4.3Å; L2427-I2433 HydrophobicContact CD2-CG1 4.49Å; L2427-I2433 HydrophobicContact CG-CD1 4.29Å; L2427-I2433 PolarHBondContact O-N 2.01Å; L2427-I2433 VanDerWaalsContact O-N 3.08Å |
| 2428 | A | 73 | Confident | 66.9 | Low | 11 Ų | 11 | 82 Ų | 82 | 9% | 0.091 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -83.8 | -21.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | R2424 S2425 I2433 A2435 | R2424-A2428 HydrophobicContact CB-CB 4.24Å; R2424-A2428 VanDerWaalsContact CD-O 3.28Å; R2424-A2428 WeakPolarHBondContact CD-O 3.2Å; R2424-A2428 PolarHBondContact NH1-O 3.01Å; S2425-A2428 CarbonylContact O-C 3.58Å; S2425-A2428 PolarHBondContact O-N 3.03Å; S2425-A2428 WeakPolarHBondContact OG-CB 3.15Å; A2428-I2433 WeakPolarHBondContact CA-O 3.31Å; A2428-A2435 HydrophobicContact CB-CB 4.26Å |
| 2429 | W | 76.2 | Confident | 66.8 | Low | 57 Ų | 57 | 79 Ų | 79 | 22% | 0.216 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -77.2 | -40.8 | 171.4 | 179.9 | 80.7 | 0 | 0 | 0 | 111.6 | A2402 I2405 Y2406 V2409 R2424 S2425 F2426 K2431 | A2402-W2429 HydrophobicContact CB-CZ3 4.4Å; I2405-W2429 HydrophobicContact CB-CH2 4.2Å; I2405-W2429 HydrophobicContact CG2-CH2 3.73Å; I2405-W2429 HydrophobicContact CG2-CZ2 4.24Å; Y2406-W2429 HydrophobicContact CD2-CB 3.94Å; Y2406-W2429 AromaticContact CD2-CD2 3.72Å; Y2406-W2429 HydrophobicContact CD2-CD2 3.72Å; Y2406-W2429 AromaticContact CD2-CE3 3.82Å; Y2406-W2429 HydrophobicContact CD2-CE3 3.82Å; Y2406-W2429 AromaticContact CD2-CG 3.76Å; Y2406-W2429 HydrophobicContact CD2-CG 3.76Å; Y2406-W2429 HydrophobicContact CD2-CZ3 4.46Å; Y2406-W2429 HydrophobicContact CE2-CB 3.94Å; Y2406-W2429 HydrophobicContact CE2-CD2 4.39Å; Y2406-W2429 AromaticContact CE2-CG 3.97Å; Y2406-W2429 HydrophobicContact CE2-CG 4.14Å; Y2406-W2429 HydrophobicContact CG-CE3 4.28Å; V2409-W2429 HydrophobicContact CG2-CZ2 4.31Å; R2424-W2429 HydrophobicContact CB-CB 4.31Å; S2425-W2429 WeakPolarHBondContact O-CB 3.26Å; S2425-W2429 PolarHBondContact O-N 2.95Å; F2426-W2429 HydrophobicContact CD2-CE3 4.43Å; F2426-W2429 HydrophobicContact CE2-CE3 4.45Å; F2426-W2429 PolarHBondContact O-N 2.99Å; W2429-K2431 PolarHBondContact O-N 3.14Å |
| 2430 | T | 76.8 | Confident | 66.7 | Low | 33.5 Ų | 33.5 | 78.7 Ų | 78.7 | 21% | 0.206 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -2.4 | 173.9 | 53 | 0 | 0 | 0 | 0 | 114.1 | A2402 F2426 L2427 L2432 | A2402-T2430 HydrophobicContact CB-CG2 4.17Å; F2426-T2430 HydrophobicContact CD2-CG2 4.13Å; F2426-T2430 HydrophobicContact CE2-CG2 3.65Å; F2426-T2430 HydrophobicContact CZ-CG2 3.97Å; F2426-T2430 WeakPolarHBondContact O-CB 3.38Å; F2426-T2430 WeakPolarHBondContact O-CG2 3.42Å; F2426-T2430 PolarHBondContact O-N 3.04Å; F2426-T2430 PolarHBondContact O-OG1 3.4Å; L2427-T2430 WeakPolarHBondContact CA-OG1 3.45Å; L2427-T2430 PolarHBondContact O-OG1 3.26Å; L2427-T2430 VanDerWaalsContact O-OG1 3.1Å; T2430-L2432 PolarHBondContact O-N 3.07Å; T2430-L2432 VanDerWaalsContact O-N 3.11Å |
| 2431 | K | 72.6 | Confident | 66.4 | Low | 150.5 Ų | 150.5 | 78.3 Ų | 78.3 | 65% | 0.654 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 14.6 | -176.6 | -54 | 175.8 | -173.7 | 170.5 | 0 | 114.6 | L2427 W2429 I2433 | L2427-K2431 PolarHBondContact O-N 3.16Å; W2429-K2431 PolarHBondContact O-N 3.14Å; K2431-I2433 VanDerWaalsContact C-N 3.3Å; K2431-I2433 PolarHBondContact O-N 2.93Å |
| 2432 | L | 71.5 | Confident | 66.1 | Low | 83.5 Ų | 83.5 | 78.1 Ų | 78.1 | 44% | 0.437 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -72.3 | -25 | 175.9 | -70 | 170.7 | 0 | 0 | 0 | 112.2 | L2393 L2399 L2427 T2430 | L2393-L2432 HydrophobicContact CD2-CD1 4.42Å; L2399-L2432 HydrophobicContact CD1-CD1 3.47Å; L2399-L2432 HydrophobicContact CD2-CD1 4Å; L2399-L2432 HydrophobicContact CG-CD1 4.38Å; L2427-L2432 HydrophobicContact CD2-CB 4.38Å; L2427-L2432 HydrophobicContact CD2-CD1 4.19Å; L2427-L2432 PolarHBondContact O-N 3.42Å; L2427-L2432 VanDerWaalsContact O-N 3.09Å; T2430-L2432 PolarHBondContact O-N 3.07Å; T2430-L2432 VanDerWaalsContact O-N 3.11Å |
| 2433 | I | 68.5 | Low | 65.6 | Low | 29.5 Ų | 29.5 | 82.5 Ų | 82.5 | 15% | 0.151 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -134.2 | 133.4 | 177.5 | -55.7 | -176.6 | 0 | 0 | 0 | 107.4 | E2390 L2427 A2428 K2431 T2437 F2439 | E2390-I2433 HydrophobicContact CB-CD1 4.42Å; E2390-I2433 HydrophobicContact CG-CD1 3.75Å; L2427-I2433 HydrophobicContact CB-CB 4.04Å; L2427-I2433 HydrophobicContact CB-CD1 3.97Å; L2427-I2433 HydrophobicContact CB-CG1 4.22Å; L2427-I2433 HydrophobicContact CD1-CD1 3.93Å; L2427-I2433 HydrophobicContact CD2-CD1 4.3Å; L2427-I2433 HydrophobicContact CD2-CG1 4.49Å; L2427-I2433 HydrophobicContact CG-CD1 4.29Å; L2427-I2433 PolarHBondContact O-N 2.01Å; L2427-I2433 VanDerWaalsContact O-N 3.08Å; A2428-I2433 WeakPolarHBondContact CA-O 3.31Å; K2431-I2433 VanDerWaalsContact C-N 3.3Å; K2431-I2433 PolarHBondContact O-N 2.93Å; I2433-T2437 WeakPolarHBondContact CG2-OG1 3.43Å; I2433-F2439 HydrophobicContact CD1-CE2 4.22Å; I2433-F2439 HydrophobicContact CG2-CE2 3.95Å; I2433-F2439 HydrophobicContact CG2-CZ 4.4Å |
| 2434 | S | 61.3 | Low | 65.1 | Low | 83.5 Ų | 83.5 | 80.7 Ų | 80.7 | 58% | 0.584 | 43% | 0.427 | S | S | * | . | trans | -71.7 | 143.9 | 176.3 | -84.8 | 0 | 0 | 0 | 0 | 110.5 | E2436 T2437 | S2434-E2436 PolarHBondContact O-N 3.15Å; S2434-T2437 PolarHBondContact O-N 3.12Å; S2434-T2437 VanDerWaalsContact O-N 3.09Å; S2434-T2437 PolarHBondContact O-OG1 3.11Å; S2434-T2437 VanDerWaalsContact O-OG1 3.11Å | ||
| 2435 | A | 55 | Low | 64.2 | Low | 81 Ų | 81 | 78.7 Ų | 78.7 | 67% | 0.669 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -8.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | A2428 | A2428-A2435 HydrophobicContact CB-CB 4.26Š|
| 2436 | E | 56.5 | Low | 63 | Low | 181 Ų | 181 | 81.8 Ų | 81.8 | 85% | 0.846 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | -9.4 | -178.2 | -68.6 | 168 | 165.1 | 0 | 0 | 113.6 | S2434 N2438 | S2434-E2436 PolarHBondContact O-N 3.15Å; E2436-N2438 VanDerWaalsContact C-N 3.31Å; E2436-N2438 PolarHBondContact O-N 3.49Å |
| 2437 | T | 55.6 | Low | 61.7 | Low | 67.5 Ų | 67.5 | 85.4 Ų | 85.4 | 41% | 0.414 | 46% | 0.455 | S | S | . | . | trans | -82.6 | 75.2 | 178 | 52.3 | 0 | 0 | 0 | 0 | 111.2 | I2433 S2434 F2439 | I2433-T2437 WeakPolarHBondContact CG2-OG1 3.43Å; S2434-T2437 PolarHBondContact O-N 3.12Å; S2434-T2437 VanDerWaalsContact O-N 3.09Å; S2434-T2437 PolarHBondContact O-OG1 3.11Å; S2434-T2437 VanDerWaalsContact O-OG1 3.11Å; T2437-F2439 WeakPolarHBondContact O-CD2 3.27Å; T2437-F2439 PolarHBondContact O-N 3Å; T2437-F2439 VanDerWaalsContact O-N 3.14Å | ||
| 2438 | N | 56.8 | Low | 60.6 | Low | 104 Ų | 104 | 89.2 Ų | 89.2 | 56% | 0.556 | 48% | 0.483 | S | S | * | . | trans | -79.1 | 91.6 | 169.3 | -136.8 | -16 | 0 | 0 | 0 | 109.4 | E2436 N2440 N2441 | E2436-N2438 VanDerWaalsContact C-N 3.31Å; E2436-N2438 PolarHBondContact O-N 3.49Å; N2438-N2440 PolarHBondContact O-N 3.08Å; N2438-N2440 PolarHBondContact OD1-ND2 3.25Å; N2438-N2441 PolarHBondContact O-N 2.93Å | ||
| 2439 | F | 58.9 | Low | 59.6 | Low | 43.5 Ų | 43.5 | 92.7 Ų | 92.7 | 19% | 0.191 | 50% | 0.5 | C | S | . | . | G | 310 helix | trans | -57.1 | -15.5 | -179.5 | -64 | -71.4 | 0 | 0 | 0 | 114.1 | Q2383 L2386 V2387 I2433 T2437 N2441 I2442 | Q2383-F2439 PolarHBondContact NE2-O 2.86Å; L2386-F2439 HydrophobicContact CB-CD1 4.31Å; L2386-F2439 HydrophobicContact CB-CE1 4.45Å; L2386-F2439 HydrophobicContact CD1-CD1 3.92Å; L2386-F2439 HydrophobicContact CD1-CE1 4.05Å; L2386-F2439 HydrophobicContact CD2-CE1 4.1Å; L2386-F2439 HydrophobicContact CG-CD1 4.44Å; L2386-F2439 HydrophobicContact CG-CE1 4.48Å; V2387-F2439 HydrophobicContact CG2-CB 4.43Å; I2433-F2439 HydrophobicContact CD1-CE2 4.22Å; I2433-F2439 HydrophobicContact CG2-CE2 3.95Å; I2433-F2439 HydrophobicContact CG2-CZ 4.4Å; T2437-F2439 WeakPolarHBondContact O-CD2 3.27Å; T2437-F2439 PolarHBondContact O-N 3Å; T2437-F2439 VanDerWaalsContact O-N 3.14Å; F2439-N2441 PolarHBondContact O-N 3.04Å; F2439-I2442 HydrophobicContact CB-CD1 4.42Å; F2439-I2442 HydrophobicContact CD1-CD1 4.06Å; F2439-I2442 WeakPolarHBondContact O-CG1 3.26Å; F2439-I2442 PolarHBondContact O-N 3.16Å |
| 2440 | N | 58.8 | Low | 58.2 | Low | 115 Ų | 115 | 94 Ų | 94 | 62% | 0.615 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -70 | -11.4 | 174 | -59.3 | -43 | 0 | 0 | 0 | 114.1 | N2438 | N2438-N2440 PolarHBondContact O-N 3.08Å; N2438-N2440 PolarHBondContact OD1-ND2 3.25Å |
| 2441 | N | 56 | Low | 57 | Low | 130.5 Ų | 130.5 | 99.3 Ų | 99.3 | 70% | 0.698 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -107 | 15.5 | -179.1 | -85 | -10.9 | 0 | 0 | 0 | 114.2 | N2438 F2439 K2443 | N2438-N2441 PolarHBondContact O-N 2.93Å; F2439-N2441 PolarHBondContact O-N 3.04Å; N2441-K2443 VanDerWaalsContact C-N 3.32Å; N2441-K2443 PolarHBondContact O-N 3.17Å |
| 2442 | I | 57.1 | Low | 55.7 | Low | 60 Ų | 60 | 99.1 Ų | 99.1 | 31% | 0.308 | 55% | 0.554 | S | S | . | * | trans | -74 | 85.1 | 173.3 | -54.3 | 177.1 | 0 | 0 | 0 | 108.9 | M2379 L2382 L2386 F2439 G2444 | M2379-I2442 HydrophobicContact CE-CG2 3.24Å; L2382-I2442 HydrophobicContact CD2-CD1 4.29Å; L2386-I2442 HydrophobicContact CD1-CD1 3.99Å; F2439-I2442 HydrophobicContact CB-CD1 4.42Å; F2439-I2442 HydrophobicContact CD1-CD1 4.06Å; F2439-I2442 WeakPolarHBondContact O-CG1 3.26Å; F2439-I2442 PolarHBondContact O-N 3.16Å; I2442-G2444 PolarHBondContact O-N 2.89Å | ||
| 2443 | K | 55.8 | Low | 54.4 | Low | 196 Ų | 196 | 98.9 Ų | 98.9 | 85% | 0.852 | 55% | 0.553 | S | S | * | * | trans | -67.6 | 120.2 | 166.9 | -75.4 | -175.6 | 175.9 | -177.7 | 0 | 108.7 | N2441 | N2441-K2443 VanDerWaalsContact C-N 3.32Å; N2441-K2443 PolarHBondContact O-N 3.17Å | ||
| 2444 | G | 53.9 | Low | 53.2 | Low | 26.5 Ų | 26.5 | 102.3 Ų | 102.3 | 27% | 0.273 | 58% | 0.577 | S | S | . | * | trans | -58.2 | 154.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I2442 Q2446 | I2442-G2444 PolarHBondContact O-N 2.89Å; G2444-Q2446 VanDerWaalsContact C-N 3.3Å; G2444-Q2446 PolarHBondContact O-N 2.84Å | ||
| 2445 | P | 52.9 | Low | 52.5 | Low | 76 Ų | 76 | 102.6 Ų | 102.6 | 49% | 0.494 | 58% | 0.579 | S | S | . | * | trans | -69.2 | 91.1 | 177.1 | 29.5 | -33.6 | 0 | 0 | 0 | 109.6 | L2447 | P2445-L2447 HydrophobicContact CB-CD1 4.45Å; P2445-L2447 PolarHBondContact O-N 3.14Å | ||
| 2446 | Q | 51.2 | Low | 52.1 | Low | 141.5 Ų | 141.5 | 103.9 Ų | 103.9 | 66% | 0.661 | 57% | 0.574 | S | S | * | * | trans | -70.6 | 102.8 | 168.1 | -70.4 | -161.4 | -18.5 | 0 | 0 | 108.4 | G2444 S2448 | G2444-Q2446 VanDerWaalsContact C-N 3.3Å; G2444-Q2446 PolarHBondContact O-N 2.84Å; Q2446-S2448 PolarHBondContact O-N 3.09Å | ||
| 2447 | L | 50.5 | Low | 52.1 | Low | 103 Ų | 103 | 99.6 Ų | 99.6 | 54% | 0.539 | 55% | 0.554 | S | S | . | * | trans | -71.1 | 77.1 | 166.8 | -114.4 | 77.5 | 0 | 0 | 0 | 108.3 | L2368 F2371 P2445 L2449 | L2368-L2447 HydrophobicContact CD2-CB 3.95Å; L2368-L2447 HydrophobicContact CD2-CD2 4.21Å; F2371-L2447 HydrophobicContact CD1-CB 4.21Å; F2371-L2447 HydrophobicContact CE1-CB 4.12Å; F2371-L2447 HydrophobicContact CE1-CD1 4.31Å; F2371-L2447 HydrophobicContact CE1-CD2 4.4Å; P2445-L2447 HydrophobicContact CB-CD1 4.45Å; P2445-L2447 PolarHBondContact O-N 3.14Å; L2447-L2449 PolarHBondContact O-N 2.77Å | ||
| 2448 | S | 54.1 | Low | 51.9 | Low | 99.5 Ų | 99.5 | 96.9 Ų | 96.9 | 70% | 0.696 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 137.3 | 164.6 | 53.5 | 0 | 0 | 0 | 0 | 108.7 | Q2446 P2450 | Q2446-S2448 PolarHBondContact O-N 3.09Å; S2448-P2450 WeakPolarHBondContact O-CD 3.44Å |
| 2449 | L | 51.2 | Low | 51.6 | Low | 83.5 Ų | 83.5 | 98.8 Ų | 98.8 | 44% | 0.437 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -55 | 128 | 175.8 | -140.1 | 79.1 | 0 | 0 | 0 | 108.5 | L2364 L2368 L2447 V2451 L2453 | L2364-L2449 HydrophobicContact CD2-CD1 4.48Å; L2368-L2449 HydrophobicContact CD1-CD1 3.35Å; L2368-L2449 VanDerWaalsContact CD1-CD1 3.48Å; L2447-L2449 PolarHBondContact O-N 2.77Å; L2449-V2451 PolarHBondContact O-N 2.81Å; L2449-L2453 HydrophobicContact CD1-CD1 4.06Å; L2449-L2453 HydrophobicContact CD1-CD2 4.46Å; L2449-L2453 HydrophobicContact CD2-CD1 4.26Å; L2449-L2453 HydrophobicContact CD2-CD2 4.45Å; L2449-L2453 HydrophobicContact CG-CD1 4.02Å |
| 2450 | P | 46.8 | Very low | 51.4 | Low | 84 Ų | 84 | 103.2 Ų | 103.2 | 55% | 0.545 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -52.5 | 131 | 172.4 | -22 | 28 | 0 | 0 | 0 | 109.6 | S2448 N2452 L2453 | S2448-P2450 WeakPolarHBondContact O-CD 3.44Å; P2450-N2452 PolarHBondContact O-N 2.97Å; P2450-L2453 HydrophobicContact CB-CD1 4.15Å; P2450-L2453 HydrophobicContact CG-CD1 3.94Å; P2450-L2453 WeakPolarHBondContact O-CD1 3.49Å; P2450-L2453 PolarHBondContact O-N 3.04Å; P2450-L2453 VanDerWaalsContact O-N 3.13Å |
| 2451 | V | 52 | Low | 50.9 | Low | 145 Ų | 145 | 102.5 Ų | 102.5 | 88% | 0.879 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.7 | -18.7 | 177.2 | -175.8 | 0 | 0 | 0 | 0 | 111.5 | L2449 | L2449-V2451 PolarHBondContact O-N 2.81Š|
| 2452 | N | 45 | Very low | 50.7 | Low | 147 Ų | 147 | 101.4 Ų | 101.4 | 79% | 0.786 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.2 | 42.5 | 177.8 | -59.2 | -13.7 | 0 | 0 | 0 | 113.1 | P2450 | P2450-N2452 PolarHBondContact O-N 2.97Š|
| 2453 | L | 44.4 | Very low | 50.4 | Low | 79.5 Ų | 79.5 | 101.9 Ų | 101.9 | 42% | 0.416 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -62.9 | 136.5 | 152 | -103.5 | 81.6 | 0 | 0 | 0 | 107.5 | L2364 L2449 P2450 S2455 | L2364-L2453 HydrophobicContact CD2-CD2 4.39Å; L2449-L2453 HydrophobicContact CD1-CD1 4.06Å; L2449-L2453 HydrophobicContact CD1-CD2 4.46Å; L2449-L2453 HydrophobicContact CD2-CD1 4.26Å; L2449-L2453 HydrophobicContact CD2-CD2 4.45Å; L2449-L2453 HydrophobicContact CG-CD1 4.02Å; P2450-L2453 HydrophobicContact CB-CD1 4.15Å; P2450-L2453 HydrophobicContact CG-CD1 3.94Å; P2450-L2453 WeakPolarHBondContact O-CD1 3.49Å; P2450-L2453 PolarHBondContact O-N 3.04Å; P2450-L2453 VanDerWaalsContact O-N 3.13Å; L2453-S2455 PolarHBondContact O-N 3.39Å |
| 2454 | P | 42.7 | Very low | 50 | Low | 101 Ų | 101 | 98.1 Ų | 98.1 | 66% | 0.656 | 55% | 0.552 | S | S | * | * | trans | -57.2 | 122.2 | 170.6 | 24.4 | -31.3 | 0 | 0 | 0 | 107.7 | L2456 | P2454-L2456 VanDerWaalsContact C-N 3.3Å; P2454-L2456 PolarHBondContact O-N 3.29Å | ||
| 2455 | S | 47 | Very low | 49.8 | Very low | 90 Ų | 90 | 100.5 Ų | 100.5 | 63% | 0.629 | 56% | 0.561 | S | S | * | * | trans | -61.1 | 97 | 168.9 | -178.9 | 0 | 0 | 0 | 0 | 106.5 | L2453 E2457 | L2453-S2455 PolarHBondContact O-N 3.39Å; S2455-E2457 PolarHBondContact O-N 3.27Å; S2455-E2457 WeakPolarHBondContact OG-CG 3.39Å | ||
| 2456 | L | 47.6 | Very low | 49.5 | Very low | 108.5 Ų | 108.5 | 100.4 Ų | 100.4 | 57% | 0.568 | 56% | 0.561 | S | S | * | * | trans | -70.3 | 74.6 | 172.8 | -82.3 | 146.8 | 0 | 0 | 0 | 107 | P2454 P2458 F2461 | P2454-L2456 VanDerWaalsContact C-N 3.3Å; P2454-L2456 PolarHBondContact O-N 3.29Å; L2456-P2458 VanDerWaalsContact O-CD 3.31Å; L2456-P2458 WeakPolarHBondContact O-CD 3.29Å; L2456-P2458 VanDerWaalsContact O-N 3.14Å; L2456-F2461 HydrophobicContact CB-CE2 4.46Å; L2456-F2461 HydrophobicContact CD2-CE2 3.7Å; L2456-F2461 HydrophobicContact CD2-CZ 3.94Å | ||
| 2457 | E | 56 | Low | 49.2 | Very low | 90.5 Ų | 90.5 | 99.5 Ų | 99.5 | 42% | 0.423 | 57% | 0.565 | S | S | . | * | trans | -62.9 | 110.7 | 173.4 | -74.1 | -179.1 | -176.6 | 0 | 0 | 107.1 | S2455 E2459 Q2460 | S2455-E2457 PolarHBondContact O-N 3.27Å; S2455-E2457 WeakPolarHBondContact OG-CG 3.39Å; E2457-E2459 PolarHBondContact O-N 3.44Å; E2457-Q2460 HydrophobicContact CB-CB 4.15Å; E2457-Q2460 HydrophobicContact CB-CG 3.93Å; E2457-Q2460 VanDerWaalsContact CD-NE2 3.33Å; E2457-Q2460 PolarHBondContact O-N 2.93Å; E2457-Q2460 PolarHBondContact OE2-NE2 3.15Å | ||
| 2458 | P | 51.4 | Low | 49 | Very low | 11 Ų | 11 | 99.8 Ų | 99.8 | 7% | 0.071 | 57% | 0.566 | C | S | . | * | G | 310 helix | trans | -63.4 | -13.9 | -176.5 | 26.8 | -34.3 | 0 | 0 | 0 | 112.2 | R2354 T2358 L2456 Q2460 F2461 P2785 M2788 | R2354-P2458 HydrophobicContact CB-CB 4.22Å; R2354-P2458 WeakPolarHBondContact CD-O 2.97Å; R2354-P2458 HydrophobicContact CG-CB 4.16Å; R2354-P2458 WeakPolarHBondContact CG-O 3.47Å; R2354-P2458 PolarHBondContact NE-O 3.33Å; R2354-P2458 PolarHBondContact NH2-O 3.02Å; T2358-P2458 HydrophobicContact CG2-CB 3.98Å; T2358-P2458 HydrophobicContact CG2-CG 3.78Å; L2456-P2458 VanDerWaalsContact O-CD 3.31Å; L2456-P2458 WeakPolarHBondContact O-CD 3.29Å; L2456-P2458 VanDerWaalsContact O-N 3.14Å; P2458-Q2460 VanDerWaalsContact C-N 3.28Å; P2458-Q2460 PolarHBondContact O-N 3.3Å; P2458-F2461 PolarHBondContact O-N 2.85Å; P2458-P2785 HydrophobicContact CG-CG 4.34Å; P2458-M2788 HydrophobicContact CB-SD 4.17Å; P2458-M2788 HydrophobicContact CG-SD 3.81Å |
| 2459 | E | 51.2 | Low | 48.6 | Very low | 142.5 Ų | 142.5 | 101.4 Ų | 101.4 | 67% | 0.666 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -77.7 | -24.9 | 174 | -55 | -165.1 | 171.3 | 0 | 0 | 113.2 | E2457 F2461 V2462 H2787 | E2457-E2459 PolarHBondContact O-N 3.44Å; E2459-F2461 VanDerWaalsContact C-N 3.27Å; E2459-F2461 PolarHBondContact O-N 3.32Å; E2459-V2462 WeakPolarHBondContact O-CG2 3.33Å; E2459-H2787 IonicContact OE1-CD2 3.75Å; E2459-H2787 IonicContact OE1-CE1 3.79Å; E2459-H2787 IonicContact OE1-NE2 3.33Å; E2459-H2787 PolarHBondContact OE1-NE2 3.48Å |
| 2460 | Q | 53.3 | Low | 48.2 | Very low | 137 Ų | 137 | 108.5 Ų | 108.5 | 64% | 0.64 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -79.9 | -11.4 | 176.3 | -67.2 | -172.4 | 16.1 | 0 | 0 | 113.5 | E2457 P2458 V2462 | E2457-Q2460 HydrophobicContact CB-CB 4.15Å; E2457-Q2460 HydrophobicContact CB-CG 3.93Å; E2457-Q2460 VanDerWaalsContact CD-NE2 3.33Å; E2457-Q2460 PolarHBondContact O-N 2.93Å; E2457-Q2460 PolarHBondContact OE2-NE2 3.15Å; P2458-Q2460 VanDerWaalsContact C-N 3.28Å; P2458-Q2460 PolarHBondContact O-N 3.3Å; Q2460-V2462 PolarHBondContact O-N 3.29Å |
| 2461 | F | 49.8 | Very low | 47.9 | Very low | 101 Ų | 101 | 109 Ų | 109 | 44% | 0.443 | 59% | 0.587 | S | S | . | * | trans | -73.1 | 71.1 | 169.7 | -84 | -82.6 | 0 | 0 | 0 | 110.9 | R2354 L2456 P2458 E2459 I2463 | R2354-F2461 HydrophobicContact CG-CB 4.16Å; R2354-F2461 VanDerWaalsContact CZ-O 3.27Å; R2354-F2461 PolarHBondContact NE-O 3.48Å; R2354-F2461 PolarHBondContact NH2-O 3.37Å; L2456-F2461 HydrophobicContact CB-CE2 4.46Å; L2456-F2461 HydrophobicContact CD2-CE2 3.7Å; L2456-F2461 HydrophobicContact CD2-CZ 3.94Å; P2458-F2461 PolarHBondContact O-N 2.85Å; E2459-F2461 VanDerWaalsContact C-N 3.27Å; E2459-F2461 PolarHBondContact O-N 3.32Å; F2461-I2463 VanDerWaalsContact C-N 3.33Å; F2461-I2463 PolarHBondContact O-N 2.7Å | ||
| 2462 | V | 50.4 | Low | 47.3 | Very low | 107 Ų | 107 | 110.9 Ų | 110.9 | 65% | 0.648 | 59% | 0.586 | S | S | * | * | trans | -85 | 97.9 | 166.3 | -175.6 | 0 | 0 | 0 | 0 | 107.4 | E2459 Q2460 | E2459-V2462 WeakPolarHBondContact O-CG2 3.33Å; Q2460-V2462 PolarHBondContact O-N 3.29Å | ||
| 2463 | I | 50.9 | Low | 46.8 | Very low | 69.5 Ų | 69.5 | 108 Ų | 108 | 36% | 0.356 | 58% | 0.583 | S | S | . | * | trans | -62.8 | 129.7 | 167 | -61.2 | -179.5 | 0 | 0 | 0 | 106.7 | A2350 F2461 T2465 | A2350-I2463 HydrophobicContact CB-CD1 3.56Å; A2350-I2463 VanDerWaalsContact CB-CD1 3.45Å; A2350-I2463 HydrophobicContact CB-CG1 3.87Å; F2461-I2463 VanDerWaalsContact C-N 3.33Å; F2461-I2463 PolarHBondContact O-N 2.7Å; I2463-T2465 VanDerWaalsContact C-N 3.29Å; I2463-T2465 PolarHBondContact O-N 2.89Å | ||
| 2464 | P | 48.1 | Very low | 46.5 | Very low | 116.5 Ų | 116.5 | 110.5 Ų | 110.5 | 76% | 0.756 | 60% | 0.601 | S | S | * | * | trans | -62.3 | 99.7 | 178.4 | 23.8 | -32.1 | 0 | 0 | 0 | 109.6 | ||||
| 2465 | T | 48.6 | Very low | 46.2 | Very low | 76 Ų | 76 | 115 Ų | 115 | 47% | 0.466 | 61% | 0.613 | S | S | . | * | P | Polyproline II helix | trans | -65.5 | 134.4 | 167.4 | 47.3 | 0 | 0 | 0 | 0 | 108 | I2463 T2467 | I2463-T2465 VanDerWaalsContact C-N 3.29Å; I2463-T2465 PolarHBondContact O-N 2.89Å; T2465-T2467 PolarHBondContact O-N 3.14Å; T2465-T2467 VanDerWaalsContact O-N 3.14Å |
| 2466 | P | 46.2 | Very low | 45.6 | Very low | 75 Ų | 75 | 113.8 Ų | 113.8 | 49% | 0.487 | 62% | 0.616 | S | S | . | * | P | Polyproline II helix | trans | -57.2 | 139.1 | 177 | 6.3 | -6.1 | 0 | 0 | 0 | 109.6 | L2344 I2468 Y2486 | L2344-P2466 HydrophobicContact CD2-CG 4.49Å; P2466-I2468 PolarHBondContact O-N 2.92Å; P2466-Y2486 HydrophobicContact CG-CD1 4.48Å; P2466-Y2486 WeakPolarHBondContact O-CD1 3.34Å |
| 2467 | T | 45.4 | Very low | 45 | Very low | 123.5 Ų | 123.5 | 118.6 Ų | 118.6 | 76% | 0.758 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 129.6 | -177.3 | 44.3 | 0 | 0 | 0 | 0 | 110.9 | T2465 K2469 | T2465-T2467 PolarHBondContact O-N 3.14Å; T2465-T2467 VanDerWaalsContact O-N 3.14Å; T2467-K2469 PolarHBondContact O-N 3.17Å |
| 2468 | I | 45.7 | Very low | 43.9 | Very low | 109 Ų | 109 | 121.7 Ų | 121.7 | 56% | 0.559 | 65% | 0.65 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -64.6 | 111.2 | 176.4 | -60.8 | 170.6 | 0 | 0 | 0 | 108.5 | P2466 R2470 P2484 Y2486 | P2466-I2468 PolarHBondContact O-N 2.92Å; I2468-R2470 PolarHBondContact O-N 3.13Å; I2468-P2484 HydrophobicContact CG2-CB 3.93Å; I2468-Y2486 HydrophobicContact CB-CE1 4.43Å; I2468-Y2486 HydrophobicContact CD1-CE1 4.12Å; I2468-Y2486 VanDerWaalsContact CD1-OH 3.32Å; I2468-Y2486 WeakPolarHBondContact CD1-OH 3.2Å; I2468-Y2486 HydrophobicContact CG1-CD1 4.01Å; I2468-Y2486 HydrophobicContact CG1-CE1 3.75Å; I2468-Y2486 WeakPolarHBondContact CG1-OH 3.48Å |
| 2469 | K | 46 | Very low | 43.3 | Very low | 133 Ų | 133 | 125.1 Ų | 125.1 | 58% | 0.578 | 68% | 0.675 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -71.3 | 96 | 167.3 | -79.4 | -174.3 | -175.3 | 170.9 | 0 | 108.7 | T2467 S2471 E2485 G2487 | T2467-K2469 PolarHBondContact O-N 3.17Å; K2469-S2471 PolarHBondContact O-N 3.08Å; K2469-E2485 WeakPolarHBondContact CD-OE2 3.3Å; K2469-E2485 PolarHBondContact N-O 3.36Å; K2469-E2485 IonicContact NZ-OE2 3.01Å; K2469-E2485 PolarHBondContact NZ-OE2 2.91Å; K2469-G2487 WeakPolarHBondContact CE-O 3.33Å |
| 2470 | R | 43 | Very low | 42.8 | Very low | 231.5 Ų | 231.5 | 124.4 Ų | 124.4 | 87% | 0.874 | 69% | 0.685 | S | S | * | * | trans | -75.7 | 92.6 | 165.9 | -166.9 | 179.2 | -124.6 | 163.1 | 0.9 | 107.6 | I2468 Q2472 | I2468-R2470 PolarHBondContact O-N 3.13Å; R2470-Q2472 PolarHBondContact O-N 3.29Å | ||
| 2471 | S | 41.2 | Very low | 42.4 | Very low | 96 Ų | 96 | 122 Ų | 122 | 67% | 0.671 | 68% | 0.684 | S | S | * | * | trans | -54.8 | 116.4 | 172.7 | 42 | 0 | 0 | 0 | 0 | 108.8 | K2469 A2473 | K2469-S2471 PolarHBondContact O-N 3.08Å; S2471-A2473 VanDerWaalsContact C-N 3.27Å; S2471-A2473 PolarHBondContact O-N 3.18Å | ||
| 2472 | Q | 38.5 | Very low | 42.1 | Very low | 184.5 Ų | 184.5 | 123.4 Ų | 123.4 | 86% | 0.862 | 70% | 0.696 | S | S | * | * | trans | -69.4 | 105.9 | 173.9 | -73.7 | -176.6 | -15.3 | 0 | 0 | 108 | R2470 T2474 | R2470-Q2472 PolarHBondContact O-N 3.29Å; Q2472-T2474 PolarHBondContact O-N 2.88Å | ||
| 2473 | A | 35.8 | Very low | 42.2 | Very low | 86.5 Ų | 86.5 | 123.1 Ų | 123.1 | 72% | 0.715 | 69% | 0.687 | S | S | * | * | trans | -67.3 | 101.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | S2471 H2475 | S2471-A2473 VanDerWaalsContact C-N 3.27Å; S2471-A2473 PolarHBondContact O-N 3.18Å; A2473-H2475 PolarHBondContact O-N 3.46Å; A2473-H2475 VanDerWaalsContact O-N 3.12Å | ||
| 2474 | T | 36.6 | Very low | 42.2 | Very low | 130.5 Ų | 130.5 | 122.7 Ų | 122.7 | 80% | 0.801 | 69% | 0.689 | S | S | * | * | trans | -75 | 99.9 | 164.7 | 30.6 | 0 | 0 | 0 | 0 | 109.4 | Q2472 G2476 | Q2472-T2474 PolarHBondContact O-N 2.88Å; T2474-G2476 PolarHBondContact O-N 2.91Å | ||
| 2475 | H | 36.6 | Very low | 42.2 | Very low | 196 Ų | 196 | 122.5 Ų | 122.5 | 91% | 0.907 | 68% | 0.678 | S | S | * | * | S | Bend | trans | 44.5 | 83.6 | 164.1 | -68.1 | -81.3 | 0 | 0 | 0 | 117.4 | A2473 | A2473-H2475 PolarHBondContact O-N 3.46Å; A2473-H2475 VanDerWaalsContact O-N 3.12Å |
| 2476 | G | 34.8 | Very low | 42.4 | Very low | 65.5 Ų | 65.5 | 122 Ų | 122 | 68% | 0.675 | 67% | 0.668 | S | S | * | * | trans | -168 | 89.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | T2474 L2478 | T2474-G2476 PolarHBondContact O-N 2.91Å; G2476-L2478 PolarHBondContact O-N 3.19Å | ||
| 2477 | K | 35.9 | Very low | 42.6 | Very low | 209.5 Ų | 209.5 | 120.2 Ų | 120.2 | 91% | 0.911 | 66% | 0.663 | S | S | * | * | trans | 6.5 | 107.2 | 173.3 | -161 | 176.4 | -174.7 | -179.4 | 0 | 114.3 | S2479 | K2477-S2479 PolarHBondContact O-N 3.35Š| ||
| 2478 | L | 33.4 | Very low | 42.7 | Very low | 154 Ų | 154 | 119.8 Ų | 119.8 | 81% | 0.806 | 66% | 0.662 | S | S | * | * | trans | -51.2 | 115.2 | 176.8 | -164.4 | 75.5 | 0 | 0 | 0 | 111.9 | G2476 | G2476-L2478 PolarHBondContact O-N 3.19Š| ||
| 2479 | S | 38.8 | Very low | 42.8 | Very low | 83.5 Ų | 83.5 | 119.7 Ų | 119.7 | 58% | 0.584 | 67% | 0.667 | S | S | * | * | trans | -105.6 | 136.4 | 168.3 | -179.1 | 0 | 0 | 0 | 0 | 108.3 | K2477 S2481 | K2477-S2479 PolarHBondContact O-N 3.35Å; S2479-S2481 PolarHBondContact O-N 3.15Å | ||
| 2480 | S | 39.7 | Very low | 43.1 | Very low | 128 Ų | 128 | 115.6 Ų | 115.6 | 90% | 0.895 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | 52.4 | -167.6 | 59.4 | 0 | 0 | 0 | 0 | 114.6 | ||
| 2481 | S | 44.6 | Very low | 43.7 | Very low | 86.5 Ų | 86.5 | 110.3 Ų | 110.3 | 61% | 0.605 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.6 | 28.2 | -179.7 | 127.4 | 0 | 0 | 0 | 0 | 114.3 | S2479 E2483 | S2479-S2481 PolarHBondContact O-N 3.15Å; S2481-E2483 VanDerWaalsContact C-N 3.32Å; S2481-E2483 PolarHBondContact O-N 3.12Å; S2481-E2483 VanDerWaalsContact O-N 3.14Å |
| 2482 | D | 44.6 | Very low | 44 | Very low | 129 Ų | 129 | 108.5 Ų | 108.5 | 69% | 0.69 | 63% | 0.627 | S | S | * | * | trans | -81.3 | 82.7 | -180 | -68.5 | -23.6 | 0 | 0 | 0 | 111.3 | ||||
| 2483 | E | 50.9 | Low | 44.3 | Very low | 101.5 Ų | 101.5 | 106.5 Ų | 106.5 | 47% | 0.474 | 62% | 0.616 | S | S | . | * | P | Polyproline II helix | trans | -72.5 | 135 | 167.4 | -121.2 | 174.1 | -166.9 | 0 | 0 | 109.8 | R2342 S2481 E2485 P2825 K2826 | R2342-E2483 IonicContact NH1-OE2 2.66Å; S2481-E2483 VanDerWaalsContact C-N 3.32Å; S2481-E2483 PolarHBondContact O-N 3.12Å; S2481-E2483 VanDerWaalsContact O-N 3.14Å; E2483-E2485 PolarHBondContact O-N 3.28Å; E2483-P2825 WeakPolarHBondContact OE1-CA 3.45Å; E2483-K2826 PolarHBondContact OE1-N 3.19Å |
| 2484 | P | 51.9 | Low | 44.6 | Very low | 61.5 Ų | 61.5 | 106.8 Ų | 106.8 | 40% | 0.399 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -67.7 | 130.2 | -175.2 | 25.3 | -33.1 | 0 | 0 | 0 | 112.5 | I2468 Y2486 | I2468-P2484 HydrophobicContact CG2-CB 3.93Å; P2484-Y2486 HydrophobicContact CB-CD2 4.25Å; P2484-Y2486 HydrophobicContact CB-CE2 3.88Å; P2484-Y2486 HydrophobicContact CG-CD2 4.31Å; P2484-Y2486 HydrophobicContact CG-CE2 3.86Å; P2484-Y2486 WeakPolarHBondContact CG-OH 3.36Å; P2484-Y2486 VanDerWaalsContact O-CD2 3.3Å; P2484-Y2486 WeakPolarHBondContact O-CD2 3.42Å; P2484-Y2486 WeakPolarHBondContact O-CE2 3.45Å; P2484-Y2486 PolarHBondContact O-N 2.68Å |
| 2485 | E | 48.9 | Very low | 44.6 | Very low | 112 Ų | 112 | 105.5 Ų | 105.5 | 52% | 0.523 | 61% | 0.605 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.6 | 125.5 | 179.9 | -167.1 | 179.9 | -125.8 | 0 | 0 | 111.2 | S2338 S2341 K2469 E2483 | S2338-E2485 VanDerWaalsContact CA-OE1 3.22Å; S2338-E2485 WeakPolarHBondContact CA-OE1 3.45Å; S2338-E2485 WeakPolarHBondContact CB-OE1 3.27Å; S2338-E2485 PolarHBondContact OG-OE1 3.36Å; S2341-E2485 WeakPolarHBondContact OG-CG 3.21Å; K2469-E2485 WeakPolarHBondContact CD-OE2 3.3Å; K2469-E2485 PolarHBondContact N-O 3.36Å; K2469-E2485 IonicContact NZ-OE2 3.01Å; K2469-E2485 PolarHBondContact NZ-OE2 2.91Å; E2483-E2485 PolarHBondContact O-N 3.28Å |
| 2486 | Y | 50.9 | Low | 44.7 | Very low | 66 Ų | 66 | 103.6 Ų | 103.6 | 26% | 0.259 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.9 | 115.5 | -176.4 | -69.2 | -86.1 | 0 | 0 | 0 | 112.5 | A2337 S2341 L2344 P2466 I2468 P2484 | A2337-Y2486 WeakPolarHBondContact CB-O 3.17Å; S2341-Y2486 WeakPolarHBondContact CA-O 3.33Å; S2341-Y2486 WeakPolarHBondContact CB-O 3.5Å; S2341-Y2486 VanDerWaalsContact O-CB 3.27Å; S2341-Y2486 WeakPolarHBondContact O-CB 3.24Å; S2341-Y2486 WeakPolarHBondContact O-CD2 3.44Å; S2341-Y2486 PolarHBondContact O-N 3.09Å; L2344-Y2486 HydrophobicContact CD1-CD1 4.24Å; L2344-Y2486 HydrophobicContact CD1-CD2 3.81Å; L2344-Y2486 HydrophobicContact CD1-CE1 3.9Å; L2344-Y2486 HydrophobicContact CD1-CE2 3.47Å; L2344-Y2486 VanDerWaalsContact CD1-CE2 3.47Å; L2344-Y2486 HydrophobicContact CD1-CG 4.2Å; L2344-Y2486 HydrophobicContact CD2-CD1 4.09Å; L2344-Y2486 HydrophobicContact CD2-CD2 3.93Å; L2344-Y2486 HydrophobicContact CD2-CE2 4.45Å; L2344-Y2486 HydrophobicContact CD2-CG 3.76Å; L2344-Y2486 HydrophobicContact CG-CD2 3.84Å; L2344-Y2486 HydrophobicContact CG-CE2 4Å; L2344-Y2486 HydrophobicContact CG-CG 4.18Å; P2466-Y2486 HydrophobicContact CG-CD1 4.48Å; P2466-Y2486 WeakPolarHBondContact O-CD1 3.34Å; I2468-Y2486 HydrophobicContact CB-CE1 4.43Å; I2468-Y2486 HydrophobicContact CD1-CE1 4.12Å; I2468-Y2486 VanDerWaalsContact CD1-OH 3.32Å; I2468-Y2486 WeakPolarHBondContact CD1-OH 3.2Å; I2468-Y2486 HydrophobicContact CG1-CD1 4.01Å; I2468-Y2486 HydrophobicContact CG1-CE1 3.75Å; I2468-Y2486 WeakPolarHBondContact CG1-OH 3.48Å; P2484-Y2486 HydrophobicContact CB-CD2 4.25Å; P2484-Y2486 HydrophobicContact CB-CE2 3.88Å; P2484-Y2486 HydrophobicContact CG-CD2 4.31Å; P2484-Y2486 HydrophobicContact CG-CE2 3.86Å; P2484-Y2486 WeakPolarHBondContact CG-OH 3.36Å; P2484-Y2486 VanDerWaalsContact O-CD2 3.3Å; P2484-Y2486 WeakPolarHBondContact O-CD2 3.42Å; P2484-Y2486 WeakPolarHBondContact O-CE2 3.45Å; P2484-Y2486 PolarHBondContact O-N 2.68Å |
| 2487 | G | 51.3 | Low | 44.7 | Very low | 36.5 Ų | 36.5 | 105.7 Ų | 105.7 | 38% | 0.376 | 60% | 0.6 | S | S | . | * | S | Bend | trans | 146.3 | 172 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | K2469 | K2469-G2487 WeakPolarHBondContact CE-O 3.33Š|
| 2488 | P | 47.4 | Very low | 44.7 | Very low | 115 Ų | 115 | 101.3 Ų | 101.3 | 75% | 0.747 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -66.3 | 143.8 | 170.6 | 29 | -32.2 | 0 | 0 | 0 | 110.4 | Y2490 | P2488-Y2490 PolarHBondContact O-N 2.82Š|
| 2489 | V | 49 | Very low | 44.7 | Very low | 107 Ų | 107 | 101.3 Ų | 101.3 | 65% | 0.648 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 139.3 | 172.6 | 179.6 | 0 | 0 | 0 | 0 | 108.9 | V2491 | V2489-V2491 PolarHBondContact O-N 3.43Š|
| 2490 | Y | 52.4 | Low | 44.5 | Very low | 48 Ų | 48 | 102.7 Ų | 102.7 | 19% | 0.188 | 59% | 0.591 | C | S | . | * | P | Polyproline II helix | trans | -58.6 | 114.4 | 172.1 | 174.8 | -101.3 | 0 | 0 | 0 | 109.4 | N2326 L2329 D2330 S2333 A2337 P2488 P2492 F2493 | N2326-Y2490 HydrophobicContact CB-CD1 4.15Å; N2326-Y2490 HydrophobicContact CB-CE1 4.27Å; N2326-Y2490 VanDerWaalsContact OD1-CE1 3.26Å; N2326-Y2490 WeakPolarHBondContact OD1-CE1 3.2Å; L2329-Y2490 HydrophobicContact CB-CD1 4.46Å; L2329-Y2490 HydrophobicContact CB-CD2 4.08Å; L2329-Y2490 HydrophobicContact CB-CE2 4.31Å; L2329-Y2490 HydrophobicContact CB-CG 4.17Å; L2329-Y2490 HydrophobicContact CD1-CD1 4.41Å; L2329-Y2490 HydrophobicContact CD1-CD2 4.3Å; L2329-Y2490 HydrophobicContact CD1-CE1 3.83Å; L2329-Y2490 HydrophobicContact CD1-CE2 3.71Å; L2329-Y2490 VanDerWaalsContact CD1-CZ 3.45Å; D2330-Y2490 VanDerWaalsContact OD1-CB 3.23Å; D2330-Y2490 WeakPolarHBondContact OD1-CB 3.36Å; D2330-Y2490 PolarHBondContact OD1-N 2.85Å; D2330-Y2490 PolarHBondContact OD1-OH 2.82Å; S2333-Y2490 WeakPolarHBondContact CB-OH 3.4Å; S2333-Y2490 WeakPolarHBondContact OG-CE1 3.34Å; S2333-Y2490 PolarHBondContact OG-OH 2.68Å; A2337-Y2490 HydrophobicContact CB-CD2 3.93Å; A2337-Y2490 HydrophobicContact CB-CG 4.16Å; P2488-Y2490 PolarHBondContact O-N 2.82Å; Y2490-P2492 HydrophobicContact CD1-CB 4.5Å; Y2490-P2492 VanDerWaalsContact CE1-CA 3.49Å; Y2490-P2492 HydrophobicContact CE1-CB 4.09Å; Y2490-P2492 HydrophobicContact CE1-CG 4.4Å; Y2490-P2492 VanDerWaalsContact O-CD 3.29Å; Y2490-P2492 WeakPolarHBondContact O-CD 3.38Å; Y2490-F2493 WeakPolarHBondContact OH-CD2 3.39Å; Y2490-F2493 WeakPolarHBondContact OH-CE2 3.24Å; Y2490-F2493 PolarHBondContact OH-N 2.88Å |
| 2491 | V | 54.2 | Low | 44.2 | Very low | 118.5 Ų | 118.5 | 105.1 Ų | 105.1 | 72% | 0.718 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 115.4 | 171.2 | -174.7 | 0 | 0 | 0 | 0 | 106.7 | V2489 | V2489-V2491 PolarHBondContact O-N 3.43Š|
| 2492 | P | 48.9 | Very low | 43.6 | Very low | 58.5 Ų | 58.5 | 107.2 Ų | 107.2 | 38% | 0.38 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -58.8 | 146.2 | 177.6 | 2 | -1 | 0 | 0 | 0 | 111.1 | Y2490 V2494 | Y2490-P2492 HydrophobicContact CD1-CB 4.5Å; Y2490-P2492 VanDerWaalsContact CE1-CA 3.49Å; Y2490-P2492 HydrophobicContact CE1-CB 4.09Å; Y2490-P2492 HydrophobicContact CE1-CG 4.4Å; Y2490-P2492 VanDerWaalsContact O-CD 3.29Å; Y2490-P2492 WeakPolarHBondContact O-CD 3.38Å; P2492-V2494 HydrophobicContact CB-CG2 4.32Å; P2492-V2494 HydrophobicContact CG-CG2 4.21Å; P2492-V2494 PolarHBondContact O-N 3.04Å |
| 2493 | F | 44 | Very low | 42.9 | Very low | 144 Ų | 144 | 106.6 Ų | 106.6 | 63% | 0.632 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -69.3 | 16.2 | 175.1 | -72.1 | -79.1 | 0 | 0 | 0 | 111.8 | D2330 Y2490 S2495 W2740 | D2330-F2493 WeakPolarHBondContact OD1-CB 3.46Å; D2330-F2493 WeakPolarHBondContact OD1-CD2 3.42Å; D2330-F2493 PolarHBondContact OD1-N 3.2Å; Y2490-F2493 WeakPolarHBondContact OH-CD2 3.39Å; Y2490-F2493 WeakPolarHBondContact OH-CE2 3.24Å; Y2490-F2493 PolarHBondContact OH-N 2.88Å; F2493-S2495 PolarHBondContact O-N 3.38Å; F2493-W2740 AromaticContact CE2-CZ2 3.89Å; F2493-W2740 HydrophobicContact CE2-CZ2 3.89Å; F2493-W2740 AromaticContact CZ-CH2 3.93Å; F2493-W2740 HydrophobicContact CZ-CH2 3.93Å; F2493-W2740 AromaticContact CZ-CZ2 3.54Å; F2493-W2740 HydrophobicContact CZ-CZ2 3.54Å |
| 2494 | V | 41.7 | Very low | 42 | Very low | 92 Ų | 92 | 105.3 Ų | 105.3 | 56% | 0.558 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -90.6 | 115.1 | 167.3 | -170 | 0 | 0 | 0 | 0 | 107.2 | P2492 Q2496 | P2492-V2494 HydrophobicContact CB-CG2 4.32Å; P2492-V2494 HydrophobicContact CG-CG2 4.21Å; P2492-V2494 PolarHBondContact O-N 3.04Å; V2494-Q2496 HydrophobicContact CB-CG 4.4Å; V2494-Q2496 HydrophobicContact CG1-CG 4.02Å; V2494-Q2496 PolarHBondContact O-N 3.15Å |
| 2495 | S | 36.6 | Very low | 40.9 | Very low | 103 Ų | 103 | 110.9 Ų | 110.9 | 72% | 0.72 | 64% | 0.638 | S | S | * | * | trans | -64 | 92.2 | 165.6 | 56.8 | 0 | 0 | 0 | 0 | 108.3 | F2493 S2497 | F2493-S2495 PolarHBondContact O-N 3.38Å; S2495-S2497 PolarHBondContact O-N 2.91Å | ||
| 2496 | Q | 38.1 | Very low | 40 | Very low | 155.5 Ų | 155.5 | 113.1 Ų | 113.1 | 73% | 0.727 | 65% | 0.646 | S | S | * | * | trans | -48.8 | 130.6 | 160.4 | -77.1 | -177.8 | -25 | 0 | 0 | 106.8 | V2494 I2498 | V2494-Q2496 HydrophobicContact CB-CG 4.4Å; V2494-Q2496 HydrophobicContact CG1-CG 4.02Å; V2494-Q2496 PolarHBondContact O-N 3.15Å; Q2496-I2498 VanDerWaalsContact C-N 3.26Å; Q2496-I2498 HydrophobicContact CB-CD1 4.04Å; Q2496-I2498 HydrophobicContact CB-CG1 3.52Å; Q2496-I2498 PolarHBondContact O-N 3.15Å | ||
| 2497 | S | 35.4 | Very low | 38.8 | Very low | 110 Ų | 110 | 122.1 Ų | 122.1 | 77% | 0.769 | 68% | 0.68 | S | S | * | * | trans | -52.8 | 83 | 174 | 53.2 | 0 | 0 | 0 | 0 | 109.4 | S2495 D2499 | S2495-S2497 PolarHBondContact O-N 2.91Å; S2497-D2499 VanDerWaalsContact C-N 3.34Å; S2497-D2499 PolarHBondContact O-N 3.2Å | ||
| 2498 | I | 36.7 | Very low | 37.8 | Very low | 116.5 Ų | 116.5 | 125.2 Ų | 125.2 | 60% | 0.597 | 70% | 0.696 | S | S | * | * | trans | -74.4 | 107.5 | 165.9 | -66.6 | 174.3 | 0 | 0 | 0 | 104 | Q2496 V2500 | Q2496-I2498 VanDerWaalsContact C-N 3.26Å; Q2496-I2498 HydrophobicContact CB-CD1 4.04Å; Q2496-I2498 HydrophobicContact CB-CG1 3.52Å; Q2496-I2498 PolarHBondContact O-N 3.15Å; I2498-V2500 HydrophobicContact CB-CG2 4.12Å; I2498-V2500 HydrophobicContact CG2-CB 3.73Å; I2498-V2500 HydrophobicContact CG2-CG2 3.46Å; I2498-V2500 PolarHBondContact O-N 2.75Å | ||
| 2499 | D | 32.6 | Very low | 36.9 | Very low | 155.5 Ų | 155.5 | 125.4 Ų | 125.4 | 83% | 0.832 | 70% | 0.698 | S | S | * | * | trans | -59.5 | 72.8 | 159.7 | -64.8 | -49.5 | 0 | 0 | 0 | 108.3 | S2497 E2501 | S2497-D2499 VanDerWaalsContact C-N 3.34Å; S2497-D2499 PolarHBondContact O-N 3.2Å; D2499-E2501 PolarHBondContact O-N 3.28Å; D2499-E2501 VanDerWaalsContact O-N 3.15Å | ||
| 2500 | V | 35.5 | Very low | 35.9 | Very low | 112.5 Ų | 112.5 | 130.5 Ų | 130.5 | 68% | 0.682 | 71% | 0.706 | S | S | * | * | trans | -81.1 | 94.2 | 165 | 164.9 | 0 | 0 | 0 | 0 | 105.2 | I2498 T2502 | I2498-V2500 HydrophobicContact CB-CG2 4.12Å; I2498-V2500 HydrophobicContact CG2-CB 3.73Å; I2498-V2500 HydrophobicContact CG2-CG2 3.46Å; I2498-V2500 PolarHBondContact O-N 2.75Å; V2500-T2502 PolarHBondContact O-N 3.2Å | ||
| 2501 | E | 33.8 | Very low | 34.7 | Very low | 177.5 Ų | 177.5 | 137.1 Ų | 137.1 | 83% | 0.829 | 74% | 0.739 | S | S | * | * | trans | -31.8 | 111.9 | 155 | -109.8 | 169.1 | 159.3 | 0 | 0 | 109.9 | D2499 S2503 | D2499-E2501 PolarHBondContact O-N 3.28Å; D2499-E2501 VanDerWaalsContact O-N 3.15Å; E2501-S2503 PolarHBondContact O-N 3.01Å; E2501-S2503 VanDerWaalsContact O-N 3.11Å | ||
| 2502 | T | 30.6 | Very low | 33.5 | Very low | 132 Ų | 132 | 135.6 Ų | 135.6 | 81% | 0.81 | 74% | 0.739 | S | S | * | * | trans | -5.6 | 108.6 | 159.7 | 50.3 | 0 | 0 | 0 | 0 | 113.1 | V2500 G2504 | V2500-T2502 PolarHBondContact O-N 3.2Å; T2502-G2504 PolarHBondContact O-N 3.49Å | ||
| 2503 | S | 31 | Very low | 32.6 | Very low | 116.5 Ų | 116.5 | 141.2 Ų | 141.2 | 82% | 0.815 | 76% | 0.76 | S | S | * | * | trans | -105.5 | 81.5 | 152 | 55.8 | 0 | 0 | 0 | 0 | 108.9 | E2501 E2505 | E2501-S2503 PolarHBondContact O-N 3.01Å; E2501-S2503 VanDerWaalsContact O-N 3.11Å; S2503-E2505 VanDerWaalsContact C-N 3.27Å; S2503-E2505 PolarHBondContact O-N 3.28Å | ||
| 2504 | G | 30.5 | Very low | 31.9 | Very low | 74 Ų | 74 | 141.1 Ų | 141.1 | 76% | 0.763 | 77% | 0.766 | S | S | * | * | trans | -73.1 | 96.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | T2502 | T2502-G2504 PolarHBondContact O-N 3.49Š| ||
| 2505 | E | 30.6 | Very low | 31.3 | Very low | 178.5 Ų | 178.5 | 142.3 Ų | 142.3 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | -134.8 | 122.7 | 156.1 | -93.2 | -173.3 | 163.9 | 0 | 0 | 110.6 | S2503 | S2503-E2505 VanDerWaalsContact C-N 3.27Å; S2503-E2505 PolarHBondContact O-N 3.28Å | ||
| 2506 | F | 30.1 | Very low | 31 | Very low | 157.5 Ų | 157.5 | 145.1 Ų | 145.1 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | trans | 63.1 | 101.9 | 158.2 | -98.4 | -102.6 | 0 | 0 | 0 | 118.2 | Y2510 | F2506-Y2510 AromaticContact CE1-CE2 3.93Å; F2506-Y2510 HydrophobicContact CE1-CE2 3.93Å; F2506-Y2510 HydrophobicContact CZ-CE2 4.28Å | ||
| 2507 | W | 25.6 | Very low | 30.7 | Very low | 255 Ų | 255 | 142.8 Ų | 142.8 | 97% | 0.966 | 79% | 0.786 | S | S | * | * | 168.5 | 79.8 | 127.2 | -76.9 | 104.7 | 0 | 0 | 0 | 109.7 | |||||
| 2508 | S | 29.1 | Very low | 30.4 | Very low | 103 Ų | 103 | 144.8 Ų | 144.8 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | trans | -121.5 | 140.5 | 158.9 | 64.3 | 0 | 0 | 0 | 0 | 108.8 | Y2510 | S2508-Y2510 PolarHBondContact O-N 2.94Š| ||
| 2509 | P | 29.8 | Very low | 30.1 | Very low | 118.5 Ų | 118.5 | 145.7 Ų | 145.7 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -71.1 | 130.7 | -177.3 | 5.4 | 1.2 | 0 | 0 | 0 | 110.4 | H2511 | P2509-H2511 PolarHBondContact O-N 2.85Å; P2509-H2511 VanDerWaalsContact O-N 3.11Å | ||
| 2510 | Y | 27.9 | Very low | 29.9 | Very low | 213 Ų | 213 | 142 Ų | 142 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | trans | -34.5 | 95.4 | 167.8 | -80.4 | -95.7 | 0 | 0 | 0 | 113.3 | F2506 S2508 | F2506-Y2510 AromaticContact CE1-CE2 3.93Å; F2506-Y2510 HydrophobicContact CE1-CE2 3.93Å; F2506-Y2510 HydrophobicContact CZ-CE2 4.28Å; S2508-Y2510 PolarHBondContact O-N 2.94Å | ||
| 2511 | H | 27.4 | Very low | 29.7 | Very low | 187 Ų | 187 | 139.8 Ų | 139.8 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | trans | -114.8 | 94 | 153.6 | -111.4 | -66.4 | 0 | 0 | 0 | 108.2 | P2509 E2513 | P2509-H2511 PolarHBondContact O-N 2.85Å; P2509-H2511 VanDerWaalsContact O-N 3.11Å; H2511-E2513 PolarHBondContact O-N 2.71Å | ||
| 2512 | A | 28.2 | Very low | 29.6 | Very low | 88 Ų | 88 | 139 Ų | 139 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -113.3 | 97.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 2513 | E | 29.7 | Very low | 29.8 | Very low | 175.5 Ų | 175.5 | 140.2 Ų | 140.2 | 82% | 0.82 | 80% | 0.797 | S | S | * | * | trans | -151.1 | 116.1 | 139.4 | -89.8 | -170.3 | -172.3 | 0 | 0 | 110.9 | H2511 | H2511-E2513 PolarHBondContact O-N 2.71Š| ||
| 2514 | N | 29.2 | Very low | 29.8 | Very low | 143 Ų | 143 | 141.3 Ų | 141.3 | 77% | 0.765 | 79% | 0.793 | S | S | * | * | trans | 44 | 104.8 | 137.5 | -66.7 | -22.7 | 0 | 0 | 0 | 121.3 | ||||
| 2515 | S | 29.8 | Very low | 30 | Very low | 115.5 Ų | 115.5 | 145 Ų | 145 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | trans | 140.3 | 126.4 | 135.7 | 51.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2516 | L | 30.4 | Very low | 30.1 | Very low | 163 Ų | 163 | 141.5 Ų | 141.5 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | cis | 133.9 | 129.3 | 42.6 | -168.3 | 81.6 | 0 | 0 | 0 | 112.1 | ||||
| 2517 | S | 30.5 | Very low | 30.3 | Very low | 106.5 Ų | 106.5 | 140.5 Ų | 140.5 | 75% | 0.745 | 79% | 0.792 | S | S | * | * | trans | 109.9 | 136 | 153.2 | 68.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 2518 | D | 30.3 | Very low | 30.9 | Very low | 153 Ų | 153 | 137.1 Ų | 137.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | cis | -160.1 | 162.4 | 8.8 | -141.6 | -19.3 | 0 | 0 | 0 | 109.9 | ||||
| 2519 | V | 30.3 | Very low | 31.1 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | 71.1 | 99.5 | 165.2 | -176.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 2520 | G | 28.7 | Very low | 31.3 | Very low | 77 Ų | 77 | 141.8 Ų | 141.8 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | 90.9 | 126 | 122.4 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 2521 | G | 30.4 | Very low | 31.5 | Very low | 67 Ų | 67 | 137.7 Ų | 137.7 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | trans | 99.9 | 92.6 | 165 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 2522 | I | 30.7 | Very low | 31.8 | Very low | 159.5 Ų | 159.5 | 135 Ų | 135 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | 60.3 | 103.2 | 72.7 | -56 | 177.6 | 0 | 0 | 0 | 110.2 | |||||
| 2523 | I | 34.9 | Very low | 32.1 | Very low | 159 Ų | 159 | 136.8 Ų | 136.8 | 82% | 0.815 | 77% | 0.767 | S | S | * | * | -176.3 | 127.8 | 97.1 | -76.9 | 166.4 | 0 | 0 | 0 | 107.2 | |||||
| 2524 | D | 30.9 | Very low | 32.3 | Very low | 138.5 Ų | 138.5 | 136.6 Ų | 136.6 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | -121.2 | 165.3 | 76.2 | -151.5 | 3 | 0 | 0 | 0 | 111.6 | |||||
| 2525 | L | 35.4 | Very low | 32.5 | Very low | 152 Ų | 152 | 137 Ų | 137 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | trans | -47.1 | 139.9 | 170.9 | -115.6 | 82.3 | 0 | 0 | 0 | 113.6 | ||||
| 2526 | S | 32.8 | Very low | 32.5 | Very low | 105.5 Ų | 105.5 | 136.1 Ų | 136.1 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | -152.4 | 124.2 | 72.3 | 57.9 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 2527 | D | 34.8 | Very low | 32.6 | Very low | 136.5 Ų | 136.5 | 135.5 Ų | 135.5 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | trans | 1.6 | 126.4 | 133 | -80.5 | -35.4 | 0 | 0 | 0 | 113.3 | ||||
| 2528 | K | 36.9 | Very low | 32.6 | Very low | 183.5 Ų | 183.5 | 138.6 Ų | 138.6 | 80% | 0.798 | 76% | 0.756 | S | S | * | * | 132.1 | 135.7 | 100.9 | -106.8 | 178.3 | -163 | 121.1 | 0 | 113 | |||||
| 2529 | S | 33.5 | Very low | 32.8 | Very low | 94 Ų | 94 | 137.2 Ų | 137.2 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | -108.5 | 166.4 | 73.5 | 123.9 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 2530 | R | 34.3 | Very low | 32.8 | Very low | 225 Ų | 225 | 139 Ų | 139 | 85% | 0.849 | 75% | 0.75 | S | S | * | * | 127.8 | 137.1 | 128.3 | -101 | 165.7 | 158.1 | 164.1 | -7 | 115.5 | |||||
| 2531 | N | 33.3 | Very low | 33.2 | Very low | 128 Ų | 128 | 142.5 Ų | 142.5 | 68% | 0.684 | 75% | 0.746 | S | S | * | * | -104.8 | 161.9 | -97.2 | -99.9 | 4.7 | 0 | 0 | 0 | 115.7 | |||||
| 2532 | N | 33.4 | Very low | 33.3 | Very low | 129 Ų | 129 | 143.6 Ų | 143.6 | 69% | 0.69 | 74% | 0.742 | S | S | * | * | trans | 44.9 | 128.1 | 135.8 | -66.5 | 10.8 | 0 | 0 | 0 | 119.5 | ||||
| 2533 | D | 34 | Very low | 33.3 | Very low | 126 Ų | 126 | 142.3 Ų | 142.3 | 67% | 0.674 | 74% | 0.737 | S | S | * | * | trans | 140.6 | 124.2 | 132 | -80.5 | -26.9 | 0 | 0 | 0 | 114.3 | ||||
| 2534 | K | 34.2 | Very low | 33.1 | Very low | 172 Ų | 172 | 142.5 Ų | 142.5 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | 133.3 | 145.1 | 55 | -120 | 164 | -170.6 | 155.1 | 0 | 116.2 | |||||
| 2535 | N | 33.7 | Very low | 33.2 | Very low | 151.5 Ų | 151.5 | 141.2 Ų | 141.2 | 81% | 0.81 | 73% | 0.732 | S | S | * | * | trans | 8.7 | 137.9 | 159.6 | -54.1 | -36.3 | 0 | 0 | 0 | 114 | ||||
| 2536 | S | 29.6 | Very low | 33 | Very low | 97.5 Ų | 97.5 | 139.4 Ų | 139.4 | 68% | 0.682 | 73% | 0.727 | S | S | * | * | -175.8 | 131.8 | 68.4 | 121.6 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 2537 | L | 32.1 | Very low | 33 | Very low | 149 Ų | 149 | 140.5 Ų | 140.5 | 78% | 0.78 | 73% | 0.725 | S | S | * | * | 62.8 | 132.1 | 116 | -128.3 | 72.1 | 0 | 0 | 0 | 114.8 | |||||
| 2538 | K | 31.3 | Very low | 32.8 | Very low | 172.5 Ų | 172.5 | 140 Ų | 140 | 75% | 0.75 | 73% | 0.727 | S | S | * | * | -89.5 | 133.8 | 100.7 | -102.4 | 170.7 | -177 | 176 | 0 | 113.7 | |||||
| 2539 | T | 33 | Very low | 32.5 | Very low | 124 Ų | 124 | 135.2 Ų | 135.2 | 76% | 0.761 | 72% | 0.722 | S | S | * | * | trans | 59.1 | 122.6 | 139.7 | 53.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 2540 | K | 31.8 | Very low | 32.4 | Very low | 172.5 Ų | 172.5 | 137.4 Ų | 137.4 | 75% | 0.75 | 73% | 0.731 | S | S | * | * | 131.5 | 140.5 | 78.3 | -130.6 | 175.5 | 176.1 | -166.4 | 0 | 110.7 | |||||
| 2541 | H | 35.7 | Very low | 32.2 | Very low | 150.5 Ų | 150.5 | 130.3 Ų | 130.3 | 70% | 0.697 | 72% | 0.72 | S | S | * | * | 123.3 | 143.4 | 119.4 | -89.9 | -73.2 | 0 | 0 | 0 | 112.5 | |||||
| 2542 | S | 33.5 | Very low | 32.3 | Very low | 89 Ų | 89 | 131.5 Ų | 131.5 | 62% | 0.622 | 73% | 0.726 | S | S | * | * | cis | 110.9 | 149.9 | 49.6 | 47.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 2543 | N | 30.4 | Very low | 32.3 | Very low | 133 Ų | 133 | 131 Ų | 131 | 71% | 0.711 | 73% | 0.727 | S | S | * | * | 121.2 | 153.3 | -108.3 | -90.8 | 33.7 | 0 | 0 | 0 | 109.3 | |||||
| 2544 | E | 31.4 | Very low | 32.2 | Very low | 163.5 Ų | 163.5 | 130.2 Ų | 130.2 | 76% | 0.764 | 73% | 0.731 | S | S | * | * | 134.2 | 166 | 66.1 | -103.2 | 170.4 | 133.6 | 0 | 0 | 115 | |||||
| 2545 | T | 31.1 | Very low | 32.1 | Very low | 111 Ų | 111 | 126.6 Ų | 126.6 | 68% | 0.681 | 73% | 0.728 | S | S | * | * | -105.1 | 166.6 | 82.7 | 6.7 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 2546 | T | 31.2 | Very low | 32.2 | Very low | 113.5 Ų | 113.5 | 126.9 Ų | 126.9 | 70% | 0.696 | 73% | 0.729 | S | S | * | * | 143.3 | 159.8 | 76.3 | 22 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 2547 | D | 32.6 | Very low | 32.4 | Very low | 130 Ų | 130 | 125.4 Ų | 125.4 | 70% | 0.695 | 73% | 0.729 | S | S | * | * | 148 | 142.9 | 68.5 | -97.9 | -31.3 | 0 | 0 | 0 | 119.4 | |||||
| 2548 | T | 31 | Very low | 32.5 | Very low | 125.5 Ų | 125.5 | 125.6 Ų | 125.6 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | trans | -0.8 | 152.9 | 148 | 59.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 2549 | A | 30.4 | Very low | 32.8 | Very low | 82.5 Ų | 82.5 | 122.8 Ų | 122.8 | 68% | 0.682 | 72% | 0.724 | S | S | * | * | 142.2 | 157.8 | 54.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 2550 | T | 32.4 | Very low | 33 | Very low | 140 Ų | 140 | 126.6 Ų | 126.6 | 86% | 0.859 | 73% | 0.725 | S | S | * | * | trans | 64.8 | 146.7 | 150.3 | 66.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 2551 | A | 31 | Very low | 33.1 | Very low | 75.5 Ų | 75.5 | 125.1 Ų | 125.1 | 62% | 0.624 | 73% | 0.725 | S | S | * | * | cis | -169.1 | 171.5 | -1.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 2552 | I | 33.6 | Very low | 33.1 | Very low | 154.5 Ų | 154.5 | 123.5 Ų | 123.5 | 79% | 0.792 | 73% | 0.731 | S | S | * | * | trans | 75.3 | 128.4 | 153.8 | -62.3 | 158.9 | 0 | 0 | 0 | 115.7 | ||||
| 2553 | T | 33.6 | Very low | 33 | Very low | 118.5 Ų | 118.5 | 122.7 Ų | 122.7 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | cis | -166 | 143.3 | 23.7 | 8.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 2554 | S | 32.1 | Very low | 32.9 | Very low | 108 Ų | 108 | 124.1 Ų | 124.1 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | 76 | 138.4 | 123.7 | 73.3 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 2555 | S | 33.6 | Very low | 33.1 | Very low | 97 Ų | 97 | 121.5 Ų | 121.5 | 68% | 0.678 | 74% | 0.744 | S | S | * | * | S | Bend | 150.1 | 139.1 | 76.3 | 66.2 | 0 | 0 | 0 | 0 | 114.4 | |||
| 2556 | N | 34.7 | Very low | 33.1 | Very low | 157.5 Ų | 157.5 | 121.5 Ų | 121.5 | 84% | 0.842 | 75% | 0.749 | S | S | * | * | 132.9 | 125.2 | 89.4 | -65.9 | -17.3 | 0 | 0 | 0 | 110.1 | |||||
| 2557 | G | 33.7 | Very low | 32.9 | Very low | 66 Ų | 66 | 125.4 Ų | 125.4 | 68% | 0.68 | 76% | 0.756 | S | S | * | * | 89.7 | 138.5 | 57.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 2558 | D | 34.7 | Very low | 32.7 | Very low | 154 Ų | 154 | 124.4 Ų | 124.4 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | cis | -160.6 | 169.4 | -1.6 | -85.9 | -30.2 | 0 | 0 | 0 | 106.6 | ||||
| 2559 | D | 37.5 | Very low | 32.6 | Very low | 112 Ų | 112 | 123.6 Ų | 123.6 | 60% | 0.599 | 75% | 0.754 | S | S | * | * | 143.4 | 129.5 | -124.6 | -90.4 | -25 | 0 | 0 | 0 | 115.2 | |||||
| 2560 | R | 36.2 | Very low | 32.5 | Very low | 205 Ų | 205 | 126.6 Ų | 126.6 | 77% | 0.774 | 76% | 0.758 | S | S | * | * | 55 | 121.8 | 99.6 | -65.2 | -171.4 | -178.1 | 109.2 | 4.7 | 118.6 | |||||
| 2561 | D | 35.5 | Very low | 32.4 | Very low | 141.5 Ų | 141.5 | 127.7 Ų | 127.7 | 76% | 0.757 | 75% | 0.754 | S | S | * | * | -168.2 | 134.4 | 55 | -103.7 | -32.1 | 0 | 0 | 0 | 106.5 | |||||
| 2562 | S | 35.7 | Very low | 32.4 | Very low | 116 Ų | 116 | 132.7 Ų | 132.7 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | 99.5 | 134.9 | 90.3 | 80.6 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 2563 | G | 30.4 | Very low | 32.2 | Very low | 72 Ų | 72 | 132.8 Ų | 132.8 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | 175.5 | 111.7 | -83.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 2564 | D | 29.3 | Very low | 32 | Very low | 162.5 Ų | 162.5 | 137 Ų | 137 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | trans | 51.1 | 125.3 | 148 | -95.6 | -19.4 | 0 | 0 | 0 | 123.1 | ||||
| 2565 | S | 34 | Very low | 32.2 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | 141.3 | 128.5 | 134.3 | 71 | 0 | 0 | 0 | 0 | 117 | ||||
| 2566 | S | 31.3 | Very low | 32 | Very low | 111 Ų | 111 | 141.9 Ų | 141.9 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -35 | 113.1 | 157.4 | 54.6 | 0 | 0 | 0 | 0 | 114.3 | S2568 | S2566-S2568 PolarHBondContact O-N 2.67Š| ||
| 2567 | K | 27.7 | Very low | 32 | Very low | 194.5 Ų | 194.5 | 138.8 Ų | 138.8 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | trans | -123.4 | 123.6 | 144.1 | -136.5 | 175.1 | -174.8 | 179.2 | 0 | 111.5 | ||||
| 2568 | S | 29.3 | Very low | 32.1 | Very low | 108 Ų | 108 | 142 Ų | 142 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | -82.6 | 110.9 | 158.4 | 55.8 | 0 | 0 | 0 | 0 | 110.2 | S2566 N2570 | S2566-S2568 PolarHBondContact O-N 2.67Å; S2568-N2570 PolarHBondContact O-N 3.21Å | ||
| 2569 | T | 27.4 | Very low | 32.3 | Very low | 110.5 Ų | 110.5 | 142.5 Ų | 142.5 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | trans | -113 | 111.4 | 155.4 | 33.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 2570 | N | 28.7 | Very low | 32.3 | Very low | 144 Ų | 144 | 144.5 Ų | 144.5 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | 163.7 | 107.4 | 113.2 | -85.6 | 18.5 | 0 | 0 | 0 | 110.3 | S2568 | S2568-N2570 PolarHBondContact O-N 3.21Š| |||
| 2571 | E | 30 | Very low | 32.9 | Very low | 163.5 Ų | 163.5 | 139.5 Ų | 139.5 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | trans | 4.2 | 155.3 | 145 | -70.4 | 166.7 | -168.9 | 0 | 0 | 114 | ||||
| 2572 | E | 31.5 | Very low | 33.9 | Very low | 181 Ų | 181 | 137.8 Ų | 137.8 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | trans | 79.7 | 87.8 | 173.7 | -60.3 | -176.6 | -165.1 | 0 | 0 | 117.3 | ||||
| 2573 | N | 28.6 | Very low | 35.4 | Very low | 157 Ų | 157 | 135.4 Ų | 135.4 | 84% | 0.84 | 72% | 0.72 | S | S | * | * | trans | 158.3 | 36.3 | 146.6 | -94.4 | -27.5 | 0 | 0 | 0 | 117.5 | I2575 | N2573-I2575 PolarHBondContact O-N 2.83Š| ||
| 2574 | W | 30.9 | Very low | 37.6 | Very low | 205 Ų | 205 | 136.9 Ų | 136.9 | 78% | 0.777 | 71% | 0.714 | S | S | * | * | trans | -96.8 | 78.3 | 162.6 | 156.3 | 32.9 | 0 | 0 | 0 | 110.4 | ||||
| 2575 | I | 36.2 | Very low | 39.7 | Very low | 126 Ų | 126 | 134.7 Ų | 134.7 | 65% | 0.646 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -132.7 | -14 | 168.5 | -61.9 | -175.1 | 0 | 0 | 0 | 113 | N2573 | N2573-I2575 PolarHBondContact O-N 2.83Š|
| 2576 | F | 29.7 | Very low | 41.5 | Very low | 182 Ų | 182 | 131.5 Ų | 131.5 | 80% | 0.798 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -131.5 | 8.6 | -171.3 | -73.9 | -68 | 0 | 0 | 0 | 117.7 | ||
| 2577 | S | 33.4 | Very low | 43.7 | Very low | 93 Ų | 93 | 129.2 Ų | 129.2 | 65% | 0.65 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -99.5 | -10.9 | -176.1 | 47.5 | 0 | 0 | 0 | 0 | 116.3 | F2579 | S2577-F2579 VanDerWaalsContact C-N 3.35Å; S2577-F2579 PolarHBondContact O-N 2.83Å |
| 2578 | D | 36.6 | Very low | 46.2 | Very low | 134.5 Ų | 134.5 | 121.7 Ų | 121.7 | 72% | 0.719 | 63% | 0.629 | S | S | * | * | trans | -110.1 | 19 | -170 | -101.3 | 11.4 | 0 | 0 | 0 | 115.4 | D2580 | D2578-D2580 PolarHBondContact O-N 3.16Š| ||
| 2579 | F | 37.8 | Very low | 48.5 | Very low | 163.5 Ų | 163.5 | 118.9 Ų | 118.9 | 72% | 0.717 | 61% | 0.612 | S | S | * | * | trans | -90.1 | 86 | 171.6 | -79.8 | -73.1 | 0 | 0 | 0 | 110.6 | S2577 L2581 | S2577-F2579 VanDerWaalsContact C-N 3.35Å; S2577-F2579 PolarHBondContact O-N 2.83Å; F2579-L2581 HydrophobicContact CB-CD1 4.03Å; F2579-L2581 HydrophobicContact CD1-CD1 4.48Å; F2579-L2581 PolarHBondContact O-N 2.97Å | ||
| 2580 | D | 38.4 | Very low | 51 | Low | 153 Ų | 153 | 113.7 Ų | 113.7 | 82% | 0.818 | 58% | 0.581 | S | S | * | * | trans | -60.3 | 78.8 | 161.6 | -90.2 | -24.7 | 0 | 0 | 0 | 109.8 | D2578 N2582 | D2578-D2580 PolarHBondContact O-N 3.16Å; D2580-N2582 PolarHBondContact O-N 3.13Å | ||
| 2581 | L | 49.3 | Very low | 53.6 | Low | 101.5 Ų | 101.5 | 111.6 Ų | 111.6 | 53% | 0.531 | 57% | 0.569 | S | S | . | * | trans | -73.5 | 76.1 | 178.5 | -129.4 | 90.9 | 0 | 0 | 0 | 109.2 | F2579 W2583 H2585 I2586 | F2579-L2581 HydrophobicContact CB-CD1 4.03Å; F2579-L2581 HydrophobicContact CD1-CD1 4.48Å; F2579-L2581 PolarHBondContact O-N 2.97Å; L2581-W2583 PolarHBondContact O-N 3.33Å; L2581-H2585 HydrophobicContact CD2-CB 4.35Å; L2581-H2585 HydrophobicContact CG-CB 4.21Å; L2581-I2586 HydrophobicContact CD2-CD1 4.46Å; L2581-I2586 HydrophobicContact CD2-CG1 3.96Å | ||
| 2582 | N | 56.1 | Low | 56.2 | Low | 105.5 Ų | 105.5 | 110.3 Ų | 110.3 | 56% | 0.564 | 56% | 0.561 | S | S | * | * | trans | -51.5 | 143 | 178.2 | -163.1 | -10.7 | 0 | 0 | 0 | 110.2 | D2580 V2584 H2585 | D2580-N2582 PolarHBondContact O-N 3.13Å; N2582-V2584 PolarHBondContact O-N 3.27Å; N2582-H2585 WeakPolarHBondContact O-CB 3.42Å; N2582-H2585 PolarHBondContact O-CD2 2.85Å; N2582-H2585 PolarHBondContact O-N 2.96Å | ||
| 2583 | W | 66.8 | Low | 58.6 | Low | 65.5 Ų | 65.5 | 104.3 Ų | 104.3 | 25% | 0.248 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -48.7 | -27.8 | -173.2 | -137.8 | -178.7 | 0 | 0 | 0 | 114.5 | A2247 R2251 L2581 H2585 I2586 L2587 | A2247-W2583 HydrophobicContact CB-CH2 4.05Å; A2247-W2583 HydrophobicContact CB-CZ2 4.29Å; A2247-W2583 WeakPolarHBondContact O-CH2 3.3Å; R2251-W2583 HydrophobicContact CB-CH2 3.83Å; R2251-W2583 HydrophobicContact CB-CZ2 3.95Å; R2251-W2583 HydrophobicContact CG-CZ2 4.42Å; L2581-W2583 PolarHBondContact O-N 3.33Å; W2583-H2585 VanDerWaalsContact C-N 3.26Å; W2583-H2585 PolarHBondContact O-N 3.15Å; W2583-I2586 HydrophobicContact CE3-CB 4.38Å; W2583-I2586 HydrophobicContact CE3-CD1 4.39Å; W2583-I2586 HydrophobicContact CE3-CG2 4.39Å; W2583-I2586 HydrophobicContact CZ3-CG2 4.37Å; W2583-I2586 PolarHBondContact O-N 3.39Å; W2583-L2587 HydrophobicContact CZ2-CD1 4.45Å; W2583-L2587 WeakPolarHBondContact O-CB 3.33Å; W2583-L2587 PolarHBondContact O-N 3.06Å |
| 2584 | V | 75.9 | Confident | 61.1 | Low | 102.5 Ų | 102.5 | 97.6 Ų | 97.6 | 62% | 0.621 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.5 | -38 | 174.5 | -174.9 | 0 | 0 | 0 | 0 | 112.2 | N2582 L2587 G2588 | N2582-V2584 PolarHBondContact O-N 3.27Å; V2584-L2587 PolarHBondContact O-N 2.9Å; V2584-G2588 PolarHBondContact O-N 3.04Å |
| 2585 | H | 73.9 | Confident | 63.5 | Low | 117 Ų | 117 | 90.3 Ų | 90.3 | 54% | 0.542 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -70.3 | -40.5 | 177.1 | -64.2 | -67.5 | 0 | 0 | 0 | 112 | L2581 N2582 W2583 G2588 A2589 | L2581-H2585 HydrophobicContact CD2-CB 4.35Å; L2581-H2585 HydrophobicContact CG-CB 4.21Å; N2582-H2585 WeakPolarHBondContact O-CB 3.42Å; N2582-H2585 PolarHBondContact O-CD2 2.85Å; N2582-H2585 PolarHBondContact O-N 2.96Å; W2583-H2585 VanDerWaalsContact C-N 3.26Å; W2583-H2585 PolarHBondContact O-N 3.15Å; H2585-G2588 PolarHBondContact O-N 2.97Å; H2585-A2589 WeakPolarHBondContact O-CB 3.44Å; H2585-A2589 PolarHBondContact O-N 3.31Å |
| 2586 | I | 72.5 | Confident | 65.7 | Low | 42.5 Ų | 42.5 | 88.5 Ų | 88.5 | 22% | 0.218 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -63.3 | -45 | 174.7 | -60.3 | 176.3 | 0 | 0 | 0 | 110 | L2581 W2583 A2589 A2590 | L2581-I2586 HydrophobicContact CD2-CD1 4.46Å; L2581-I2586 HydrophobicContact CD2-CG1 3.96Å; W2583-I2586 HydrophobicContact CE3-CB 4.38Å; W2583-I2586 HydrophobicContact CE3-CD1 4.39Å; W2583-I2586 HydrophobicContact CE3-CG2 4.39Å; W2583-I2586 HydrophobicContact CZ3-CG2 4.37Å; W2583-I2586 PolarHBondContact O-N 3.39Å; I2586-A2589 PolarHBondContact O-N 3.03Å; I2586-A2590 VanDerWaalsContact O-CB 3.3Å; I2586-A2590 WeakPolarHBondContact O-CB 3.43Å; I2586-A2590 PolarHBondContact O-N 3.35Å |
| 2587 | L | 77.2 | Confident | 68 | Low | 64 Ų | 64 | 83.3 Ų | 83.3 | 34% | 0.335 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -67.1 | -37.1 | 178.2 | -166.9 | 107.6 | 0 | 0 | 0 | 112.2 | W2583 V2584 A2590 L2591 | W2583-L2587 HydrophobicContact CZ2-CD1 4.45Å; W2583-L2587 WeakPolarHBondContact O-CB 3.33Å; W2583-L2587 PolarHBondContact O-N 3.06Å; V2584-L2587 PolarHBondContact O-N 2.9Å; L2587-A2590 PolarHBondContact O-N 3.47Å; L2587-L2591 HydrophobicContact CD2-CD1 4.13Å; L2587-L2591 HydrophobicContact CG-CD1 4.44Å; L2587-L2591 WeakPolarHBondContact O-CB 3.46Å; L2587-L2591 WeakPolarHBondContact O-CG 3.17Å; L2587-L2591 PolarHBondContact O-N 3.14Å |
| 2588 | G | 80 | Confident | 70.3 | Confident | 37 Ų | 37 | 83 Ų | 83 | 38% | 0.381 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.3 | -44.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V2584 H2585 A2590 L2591 F2592 | V2584-G2588 PolarHBondContact O-N 3.04Å; H2585-G2588 PolarHBondContact O-N 2.97Å; G2588-A2590 VanDerWaalsContact C-N 3.34Å; G2588-L2591 PolarHBondContact O-N 3.07Å; G2588-F2592 PolarHBondContact O-N 3.1Å; G2588-F2592 VanDerWaalsContact O-N 3.12Å |
| 2589 | A | 78.1 | Confident | 72.5 | Confident | 48 Ų | 48 | 81.1 Ų | 81.1 | 40% | 0.397 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | H2585 I2586 L2591 F2592 L2593 | H2585-A2589 WeakPolarHBondContact O-CB 3.44Å; H2585-A2589 PolarHBondContact O-N 3.31Å; I2586-A2589 PolarHBondContact O-N 3.03Å; A2589-L2591 PolarHBondContact O-N 3.1Å; A2589-F2592 PolarHBondContact O-N 2.97Å; A2589-L2593 WeakPolarHBondContact O-CD1 3.24Å; A2589-L2593 VanDerWaalsContact O-CG 3.32Å; A2589-L2593 WeakPolarHBondContact O-CG 3.46Å; A2589-L2593 PolarHBondContact O-N 3.46Å |
| 2590 | A | 80.2 | Confident | 74.5 | Confident | 1 Ų | 1 | 76.7 Ų | 76.7 | 1% | 0.008 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L2243 T2244 I2586 L2587 G2588 F2592 L2593 D2594 | L2243-A2590 HydrophobicContact CB-CB 4.47Å; L2243-A2590 HydrophobicContact CD2-CB 3.59Å; L2243-A2590 VanDerWaalsContact CD2-CB 3.41Å; T2244-A2590 HydrophobicContact CG2-CB 3.93Å; I2586-A2590 VanDerWaalsContact O-CB 3.3Å; I2586-A2590 WeakPolarHBondContact O-CB 3.43Å; I2586-A2590 PolarHBondContact O-N 3.35Å; L2587-A2590 PolarHBondContact O-N 3.47Å; G2588-A2590 VanDerWaalsContact C-N 3.34Å; A2590-F2592 VanDerWaalsContact C-N 3.31Å; A2590-F2592 PolarHBondContact O-N 3.03Å; A2590-L2593 PolarHBondContact O-N 3.22Å; A2590-D2594 VanDerWaalsContact O-CB 3.31Å; A2590-D2594 WeakPolarHBondContact O-CB 3.35Å; A2590-D2594 VanDerWaalsContact O-CG 3.28Å; A2590-D2594 PolarHBondContact O-N 3.03Å |
| 2591 | L | 83 | Confident | 76.6 | Confident | 101 Ų | 101 | 70.1 Ų | 70.1 | 53% | 0.529 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60 | -42.2 | 175.3 | -86 | 168.4 | 0 | 0 | 0 | 112.4 | T2244 L2587 G2588 A2589 D2594 A2595 | T2244-L2591 HydrophobicContact CG2-CB 4.34Å; T2244-L2591 HydrophobicContact CG2-CD2 3.78Å; T2244-L2591 HydrophobicContact CG2-CG 3.67Å; L2587-L2591 HydrophobicContact CD2-CD1 4.13Å; L2587-L2591 HydrophobicContact CG-CD1 4.44Å; L2587-L2591 WeakPolarHBondContact O-CB 3.46Å; L2587-L2591 WeakPolarHBondContact O-CG 3.17Å; L2587-L2591 PolarHBondContact O-N 3.14Å; G2588-L2591 PolarHBondContact O-N 3.07Å; A2589-L2591 PolarHBondContact O-N 3.1Å; L2591-D2594 PolarHBondContact O-N 3.12Å; L2591-A2595 PolarHBondContact O-N 2.95Å; L2591-A2595 VanDerWaalsContact O-N 3.08Å |
| 2592 | F | 83.4 | Confident | 78.2 | Confident | 135 Ų | 135 | 68.5 Ų | 68.5 | 59% | 0.592 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -65.9 | -43 | 178.4 | -179.1 | -103.2 | 0 | 0 | 0 | 112.3 | G2588 A2589 A2590 D2594 A2595 L2596 | G2588-F2592 PolarHBondContact O-N 3.1Å; G2588-F2592 VanDerWaalsContact O-N 3.12Å; A2589-F2592 PolarHBondContact O-N 2.97Å; A2590-F2592 VanDerWaalsContact C-N 3.31Å; A2590-F2592 PolarHBondContact O-N 3.03Å; F2592-D2594 VanDerWaalsContact C-N 3.29Å; F2592-D2594 PolarHBondContact O-N 2.74Å; F2592-A2595 WeakPolarHBondContact O-CB 3.47Å; F2592-A2595 PolarHBondContact O-N 3.03Å; F2592-L2596 HydrophobicContact CD1-CD1 4.16Å; F2592-L2596 HydrophobicContact CE1-CD1 3.59Å; F2592-L2596 HydrophobicContact CE1-CG 4.4Å; F2592-L2596 HydrophobicContact CZ-CD1 3.96Å; F2592-L2596 HydrophobicContact CZ-CG 4.36Å; F2592-L2596 PolarHBondContact O-N 3.22Å; F2592-L2596 VanDerWaalsContact O-N 3.12Å |
| 2593 | L | 81.8 | Confident | 79.5 | Confident | 56 Ų | 56 | 69.1 Ų | 69.1 | 29% | 0.293 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -67.1 | -38.4 | 176 | -71.9 | 167.4 | 0 | 0 | 0 | 112 | L2243 A2589 A2590 A2595 L2596 W2597 | L2243-L2593 HydrophobicContact CD1-CB 4.2Å; L2243-L2593 HydrophobicContact CD1-CD1 4.26Å; A2589-L2593 WeakPolarHBondContact O-CD1 3.24Å; A2589-L2593 VanDerWaalsContact O-CG 3.32Å; A2589-L2593 WeakPolarHBondContact O-CG 3.46Å; A2589-L2593 PolarHBondContact O-N 3.46Å; A2590-L2593 PolarHBondContact O-N 3.22Å; L2593-A2595 VanDerWaalsContact C-N 3.3Å; L2593-A2595 PolarHBondContact O-N 3.15Å; L2593-L2596 PolarHBondContact O-N 2.98Å; L2593-W2597 VanDerWaalsContact O-CB 3.27Å; L2593-W2597 WeakPolarHBondContact O-CB 3.42Å; L2593-W2597 PolarHBondContact O-N 2.94Å |
| 2594 | D | 82.9 | Confident | 80.1 | Confident | 16.5 Ų | 16.5 | 70.5 Ų | 70.5 | 9% | 0.088 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.3 | -39.4 | 173.6 | -83.8 | -31.1 | 0 | 0 | 0 | 112.1 | T2242 L2243 T2244 A2590 L2591 F2592 W2597 L2598 | T2242-D2594 VanDerWaalsContact CA-OD1 3.32Å; T2242-D2594 WeakPolarHBondContact CA-OD1 3.24Å; T2242-D2594 WeakPolarHBondContact CB-OD1 3.37Å; T2242-D2594 VanDerWaalsContact CB-OD2 3.28Å; T2242-D2594 WeakPolarHBondContact CB-OD2 3.35Å; L2243-D2594 WeakPolarHBondContact CB-OD1 3.43Å; L2243-D2594 VanDerWaalsContact N-CG 3.32Å; L2243-D2594 PolarHBondContact N-OD1 3.06Å; L2243-D2594 PolarHBondContact N-OD2 2.88Å; L2243-D2594 VanDerWaalsContact N-OD2 3.13Å; T2244-D2594 WeakPolarHBondContact CB-OD2 3.33Å; T2244-D2594 VanDerWaalsContact CG2-OD2 3.3Å; T2244-D2594 WeakPolarHBondContact CG2-OD2 3.38Å; T2244-D2594 PolarHBondContact N-OD2 3.21Å; T2244-D2594 PolarHBondContact OG1-OD2 3.34Å; A2590-D2594 VanDerWaalsContact O-CB 3.31Å; A2590-D2594 WeakPolarHBondContact O-CB 3.35Å; A2590-D2594 VanDerWaalsContact O-CG 3.28Å; A2590-D2594 PolarHBondContact O-N 3.03Å; L2591-D2594 PolarHBondContact O-N 3.12Å; F2592-D2594 VanDerWaalsContact C-N 3.29Å; F2592-D2594 PolarHBondContact O-N 2.74Å; D2594-W2597 PolarHBondContact O-N 3.32Å; D2594-L2598 WeakPolarHBondContact O-CB 3.31Å; D2594-L2598 PolarHBondContact O-N 3.12Å |
| 2595 | A | 81.3 | Confident | 80.4 | Confident | 52 Ų | 52 | 66.6 Ų | 66.6 | 43% | 0.43 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62 | -47.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | L2591 F2592 L2593 W2597 L2598 I2599 | L2591-A2595 PolarHBondContact O-N 2.95Å; L2591-A2595 VanDerWaalsContact O-N 3.08Å; F2592-A2595 WeakPolarHBondContact O-CB 3.47Å; F2592-A2595 PolarHBondContact O-N 3.03Å; L2593-A2595 VanDerWaalsContact C-N 3.3Å; L2593-A2595 PolarHBondContact O-N 3.15Å; A2595-W2597 VanDerWaalsContact C-N 3.33Å; A2595-W2597 PolarHBondContact O-N 3.08Å; A2595-L2598 PolarHBondContact O-N 3.42Å; A2595-I2599 WeakPolarHBondContact O-CD1 3.3Å; A2595-I2599 VanDerWaalsContact O-CG1 3.31Å; A2595-I2599 WeakPolarHBondContact O-CG1 3.43Å; A2595-I2599 PolarHBondContact O-N 3.37Å; A2595-I2599 VanDerWaalsContact O-N 3.15Å |
| 2596 | L | 81.4 | Confident | 80.9 | Confident | 87 Ų | 87 | 65 Ų | 65 | 46% | 0.455 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 175.5 | -71.9 | 175.2 | 0 | 0 | 0 | 112.1 | F2592 L2593 I2599 H2600 | F2592-L2596 HydrophobicContact CD1-CD1 4.16Å; F2592-L2596 HydrophobicContact CE1-CD1 3.59Å; F2592-L2596 HydrophobicContact CE1-CG 4.4Å; F2592-L2596 HydrophobicContact CZ-CD1 3.96Å; F2592-L2596 HydrophobicContact CZ-CG 4.36Å; F2592-L2596 PolarHBondContact O-N 3.22Å; F2592-L2596 VanDerWaalsContact O-N 3.12Å; L2593-L2596 PolarHBondContact O-N 2.98Å; L2596-I2599 PolarHBondContact O-N 3.08Å; L2596-H2600 PolarHBondContact O-N 2.44Å |
| 2597 | W | 78.2 | Confident | 81.3 | Confident | 73 Ų | 73 | 66.1 Ų | 66.1 | 28% | 0.277 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -74.3 | -32.4 | -178 | -159 | 48 | 0 | 0 | 0 | 112.5 | V2241 L2593 D2594 A2595 H2600 R2601 I2901 | V2241-W2597 HydrophobicContact CG1-CH2 4.2Å; V2241-W2597 HydrophobicContact CG1-CZ3 4.36Å; V2241-W2597 WeakPolarHBondContact O-CZ3 3.24Å; L2593-W2597 VanDerWaalsContact O-CB 3.27Å; L2593-W2597 WeakPolarHBondContact O-CB 3.42Å; L2593-W2597 PolarHBondContact O-N 2.94Å; D2594-W2597 PolarHBondContact O-N 3.32Å; A2595-W2597 VanDerWaalsContact C-N 3.33Å; A2595-W2597 PolarHBondContact O-N 3.08Å; W2597-H2600 PolarHBondContact O-N 3.16Å; W2597-R2601 VanDerWaalsContact CE3-CZ 3.49Å; W2597-R2601 VanDerWaalsContact O-CB 3.31Å; W2597-R2601 WeakPolarHBondContact O-CB 3.4Å; W2597-R2601 VanDerWaalsContact O-CG 3.22Å; W2597-R2601 WeakPolarHBondContact O-CG 3.21Å; W2597-R2601 PolarHBondContact O-N 3.19Å; W2597-I2901 HydrophobicContact CH2-CD1 4.2Å |
| 2598 | L | 81.7 | Confident | 81.4 | Confident | 86 Ų | 86 | 63.8 Ų | 63.8 | 45% | 0.45 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.1 | -47.5 | 170.4 | -172.5 | 157.9 | 0 | 0 | 0 | 110.2 | D2594 A2595 H2600 R2601 V2602 | D2594-L2598 WeakPolarHBondContact O-CB 3.31Å; D2594-L2598 PolarHBondContact O-N 3.12Å; A2595-L2598 PolarHBondContact O-N 3.42Å; L2598-H2600 VanDerWaalsContact C-N 3.35Å; L2598-H2600 PolarHBondContact O-N 3.32Å; L2598-R2601 PolarHBondContact O-N 3.18Å; L2598-V2602 HydrophobicContact CD2-CG2 3.69Å; L2598-V2602 HydrophobicContact CG-CG2 4.4Å; L2598-V2602 WeakPolarHBondContact O-CB 3.4Å; L2598-V2602 VanDerWaalsContact O-CG2 3.29Å; L2598-V2602 WeakPolarHBondContact O-CG2 3.33Å; L2598-V2602 PolarHBondContact O-N 3.44Å |
| 2599 | I | 83.2 | Confident | 81.5 | Confident | 95 Ų | 95 | 62.9 Ų | 62.9 | 49% | 0.487 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -57.2 | -48.8 | 175.9 | -68.7 | 164.2 | 0 | 0 | 0 | 110.7 | A2595 L2596 R2601 V2602 L2603 | A2595-I2599 WeakPolarHBondContact O-CD1 3.3Å; A2595-I2599 VanDerWaalsContact O-CG1 3.31Å; A2595-I2599 WeakPolarHBondContact O-CG1 3.43Å; A2595-I2599 PolarHBondContact O-N 3.37Å; A2595-I2599 VanDerWaalsContact O-N 3.15Å; L2596-I2599 PolarHBondContact O-N 3.08Å; I2599-R2601 VanDerWaalsContact C-N 3.34Å; I2599-R2601 PolarHBondContact O-N 2.94Å; I2599-V2602 PolarHBondContact O-N 3.04Å; I2599-L2603 HydrophobicContact CG2-CD1 3.77Å; I2599-L2603 WeakPolarHBondContact O-CD1 3.39Å; I2599-L2603 WeakPolarHBondContact O-CG 3Å; I2599-L2603 PolarHBondContact O-N 3.41Å |
| 2600 | H | 79.3 | Confident | 81.6 | Confident | 71 Ų | 71 | 65.9 Ų | 65.9 | 33% | 0.329 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.2 | -43 | 176.7 | 172.3 | -94.1 | 0 | 0 | 0 | 112.5 | L2596 W2597 L2598 H2604 | L2596-H2600 PolarHBondContact O-N 2.44Å; W2597-H2600 PolarHBondContact O-N 3.16Å; L2598-H2600 VanDerWaalsContact C-N 3.35Å; L2598-H2600 PolarHBondContact O-N 3.32Å; H2600-H2604 PolarHBondContact O-N 3.47Å; H2600-H2604 VanDerWaalsContact O-N 3.09Å |
| 2601 | R | 82.8 | Confident | 81.4 | Confident | 16 Ų | 16 | 70.8 Ų | 70.8 | 6% | 0.06 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.5 | -45 | 177.6 | -78.3 | 168.2 | 165.5 | -159.3 | -6 | 111.4 | Y2237 T2238 V2241 W2597 L2598 I2599 H2604 T2605 | Y2237-R2601 PolarHBondContact OH-NH2 3.4Å; T2238-R2601 HydrophobicContact CG2-CB 4.17Å; T2238-R2601 PolarHBondContact O-NH1 3.14Å; V2241-R2601 PolarHBondContact O-NH1 3.42Å; V2241-R2601 PolarHBondContact O-NH2 3.18Å; W2597-R2601 VanDerWaalsContact CE3-CZ 3.49Å; W2597-R2601 VanDerWaalsContact O-CB 3.31Å; W2597-R2601 WeakPolarHBondContact O-CB 3.4Å; W2597-R2601 VanDerWaalsContact O-CG 3.22Å; W2597-R2601 WeakPolarHBondContact O-CG 3.21Å; W2597-R2601 PolarHBondContact O-N 3.19Å; L2598-R2601 PolarHBondContact O-N 3.18Å; I2599-R2601 VanDerWaalsContact C-N 3.34Å; I2599-R2601 PolarHBondContact O-N 2.94Å; R2601-H2604 CarbonylContact O-C 3.48Å; R2601-H2604 PolarHBondContact O-N 2.91Å; R2601-T2605 WeakPolarHBondContact O-CG2 3.24Å; R2601-T2605 PolarHBondContact O-N 3.05Å |
| 2602 | V | 83.3 | Confident | 81.2 | Confident | 67 Ų | 67 | 66.2 Ų | 66.2 | 41% | 0.406 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.9 | -47.7 | 178.8 | 170.3 | 0 | 0 | 0 | 0 | 110.5 | L2598 I2599 H2604 T2605 V2606 | L2598-V2602 HydrophobicContact CD2-CG2 3.69Å; L2598-V2602 HydrophobicContact CG-CG2 4.4Å; L2598-V2602 WeakPolarHBondContact O-CB 3.4Å; L2598-V2602 VanDerWaalsContact O-CG2 3.29Å; L2598-V2602 WeakPolarHBondContact O-CG2 3.33Å; L2598-V2602 PolarHBondContact O-N 3.44Å; I2599-V2602 PolarHBondContact O-N 3.04Å; V2602-H2604 VanDerWaalsContact C-N 3.29Å; V2602-H2604 PolarHBondContact O-N 3.35Å; V2602-T2605 WeakPolarHBondContact CA-OG1 3.42Å; V2602-T2605 WeakPolarHBondContact O-CA 3.4Å; V2602-T2605 PolarHBondContact O-N 2.91Å; V2602-T2605 PolarHBondContact O-OG1 2.79Å; V2602-V2606 HydrophobicContact CG1-CG2 4.42Å; V2602-V2606 WeakPolarHBondContact O-CG2 3.48Å; V2602-V2606 PolarHBondContact O-N 3.18Å |
| 2603 | L | 82.2 | Confident | 80.6 | Confident | 118 Ų | 118 | 63.2 Ų | 63.2 | 62% | 0.618 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -54.4 | -46.4 | 174.7 | -79.1 | 156.1 | 0 | 0 | 0 | 111.7 | I2599 T2605 V2606 D2607 | I2599-L2603 HydrophobicContact CG2-CD1 3.77Å; I2599-L2603 WeakPolarHBondContact O-CD1 3.39Å; I2599-L2603 WeakPolarHBondContact O-CG 3Å; I2599-L2603 PolarHBondContact O-N 3.41Å; L2603-T2605 PolarHBondContact O-N 3.05Å; L2603-V2606 PolarHBondContact O-N 3.44Å; L2603-D2607 PolarHBondContact O-N 3Å |
| 2604 | H | 79.6 | Confident | 80 | Confident | 96 Ų | 96 | 68.4 Ų | 68.4 | 44% | 0.444 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.6 | -36 | 175.9 | -170.2 | -66.2 | 0 | 0 | 0 | 112.5 | H2600 R2601 V2602 V2606 T2608 | H2600-H2604 PolarHBondContact O-N 3.47Å; H2600-H2604 VanDerWaalsContact O-N 3.09Å; R2601-H2604 CarbonylContact O-C 3.48Å; R2601-H2604 PolarHBondContact O-N 2.91Å; V2602-H2604 VanDerWaalsContact C-N 3.29Å; V2602-H2604 PolarHBondContact O-N 3.35Å; H2604-V2606 VanDerWaalsContact C-N 3.3Å; H2604-V2606 PolarHBondContact O-N 2.88Å; H2604-T2608 PolarHBondContact CE1-OG1 3.44Å; H2604-T2608 PolarHBondContact ND1-OG1 3.42Å; H2604-T2608 WeakPolarHBondContact O-CB 3.34Å; H2604-T2608 PolarHBondContact O-N 3.05Å; H2604-T2608 PolarHBondContact O-OG1 2.91Å |
| 2605 | T | 83.2 | Confident | 79.4 | Confident | 19 Ų | 19 | 68 Ų | 68 | 12% | 0.117 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.8 | -38 | 175.2 | 64.9 | 0 | 0 | 0 | 0 | 111.7 | K2234 R2601 V2602 L2603 T2608 A2609 | K2234-T2605 HydrophobicContact CD-CG2 4.14Å; K2234-T2605 HydrophobicContact CG-CG2 3.37Å; R2601-T2605 WeakPolarHBondContact O-CG2 3.24Å; R2601-T2605 PolarHBondContact O-N 3.05Å; V2602-T2605 WeakPolarHBondContact CA-OG1 3.42Å; V2602-T2605 WeakPolarHBondContact O-CA 3.4Å; V2602-T2605 PolarHBondContact O-N 2.91Å; V2602-T2605 PolarHBondContact O-OG1 2.79Å; L2603-T2605 PolarHBondContact O-N 3.05Å; T2605-T2608 PolarHBondContact O-N 2.8Å; T2605-A2609 WeakPolarHBondContact O-CB 3.31Å; T2605-A2609 PolarHBondContact O-N 3.28Å |
| 2606 | V | 83.6 | Confident | 78.9 | Confident | 85 Ų | 85 | 69.2 Ų | 69.2 | 52% | 0.515 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.7 | -47.9 | 178.9 | 173.2 | 0 | 0 | 0 | 0 | 110.2 | V2602 L2603 H2604 T2608 A2609 E2610 | V2602-V2606 HydrophobicContact CG1-CG2 4.42Å; V2602-V2606 WeakPolarHBondContact O-CG2 3.48Å; V2602-V2606 PolarHBondContact O-N 3.18Å; L2603-V2606 PolarHBondContact O-N 3.44Å; H2604-V2606 VanDerWaalsContact C-N 3.3Å; H2604-V2606 PolarHBondContact O-N 2.88Å; V2606-T2608 VanDerWaalsContact C-N 3.32Å; V2606-T2608 PolarHBondContact O-N 3.05Å; V2606-A2609 PolarHBondContact O-N 2.87Å; V2606-E2610 WeakPolarHBondContact O-CB 3.41Å; V2606-E2610 PolarHBondContact O-N 3.42Å |
| 2607 | D | 80.9 | Confident | 78.3 | Confident | 64 Ų | 64 | 67.9 Ų | 67.9 | 34% | 0.342 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57.7 | -45.4 | 174.7 | 179.6 | 16 | 0 | 0 | 0 | 110.9 | L2603 A2609 E2610 R2611 | L2603-D2607 PolarHBondContact O-N 3Å; D2607-A2609 PolarHBondContact O-N 3.48Å; D2607-E2610 PolarHBondContact O-N 2.9Å; D2607-R2611 VanDerWaalsContact O-CG 3.32Å; D2607-R2611 WeakPolarHBondContact O-CG 3.45Å; D2607-R2611 PolarHBondContact O-N 2.72Å; D2607-R2611 IonicContact OD1-CZ 3.66Å; D2607-R2611 IonicContact OD1-NE 3.7Å; D2607-R2611 PolarHBondContact OD1-NE 3.11Å; D2607-R2611 IonicContact OD1-NH2 2.88Å; D2607-R2611 PolarHBondContact OD1-NH2 2.81Å; D2607-R2611 IonicContact OD2-CZ 2.7Å; D2607-R2611 IonicContact OD2-NE 3.35Å; D2607-R2611 IonicContact OD2-NH2 3.59Å; D2607-R2611 PolarHBondContact OD2-NH2 3.38Å |
| 2608 | T | 79.2 | Confident | 77.7 | Confident | 17 Ų | 17 | 65.9 Ų | 65.9 | 10% | 0.104 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.1 | -38.5 | 178.6 | -44.2 | 0 | 0 | 0 | 0 | 112 | Y2230 H2604 T2605 V2606 R2611 I2612 W2912 | Y2230-T2608 HydrophobicContact CE1-CG2 4.49Å; H2604-T2608 PolarHBondContact CE1-OG1 3.44Å; H2604-T2608 PolarHBondContact ND1-OG1 3.42Å; H2604-T2608 WeakPolarHBondContact O-CB 3.34Å; H2604-T2608 PolarHBondContact O-N 3.05Å; H2604-T2608 PolarHBondContact O-OG1 2.91Å; T2605-T2608 PolarHBondContact O-N 2.8Å; V2606-T2608 VanDerWaalsContact C-N 3.32Å; V2606-T2608 PolarHBondContact O-N 3.05Å; T2608-R2611 PolarHBondContact O-N 2.76Å; T2608-I2612 HydrophobicContact CG2-CD1 4.49Å; T2608-I2612 VanDerWaalsContact O-CG1 3.3Å; T2608-I2612 WeakPolarHBondContact O-CG1 2.99Å; T2608-I2612 PolarHBondContact O-N 3.4Å; T2608-W2912 HydrophobicContact CG2-CE3 4.34Å; T2608-W2912 HydrophobicContact CG2-CH2 3.85Å; T2608-W2912 HydrophobicContact CG2-CZ3 3.57Å |
| 2609 | A | 81.5 | Confident | 77 | Confident | 17 Ų | 17 | 68.7 Ų | 68.7 | 14% | 0.14 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.9 | -39.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L2227 T2605 V2606 D2607 R2611 I2612 L2613 | L2227-A2609 HydrophobicContact CD1-CB 3.72Å; T2605-A2609 WeakPolarHBondContact O-CB 3.31Å; T2605-A2609 PolarHBondContact O-N 3.28Å; V2606-A2609 PolarHBondContact O-N 2.87Å; D2607-A2609 PolarHBondContact O-N 3.48Å; A2609-R2611 VanDerWaalsContact C-N 3.33Å; A2609-I2612 PolarHBondContact O-N 3.28Å; A2609-L2613 WeakPolarHBondContact O-CB 3.41Å; A2609-L2613 PolarHBondContact O-N 3.14Å |
| 2610 | E | 80.8 | Confident | 76.2 | Confident | 111 Ų | 111 | 64.5 Ų | 64.5 | 52% | 0.519 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.5 | -45.6 | 173.2 | -168.1 | -177.4 | 164.4 | 0 | 0 | 110.3 | V2606 D2607 I2612 L2613 Y2614 | V2606-E2610 WeakPolarHBondContact O-CB 3.41Å; V2606-E2610 PolarHBondContact O-N 3.42Å; D2607-E2610 PolarHBondContact O-N 2.9Å; E2610-I2612 VanDerWaalsContact C-N 3.33Å; E2610-I2612 PolarHBondContact O-N 3.1Å; E2610-L2613 PolarHBondContact O-N 2.89Å; E2610-L2613 VanDerWaalsContact O-N 3.17Å; E2610-Y2614 HydrophobicContact CB-CD2 4.46Å; E2610-Y2614 HydrophobicContact CG-CD2 3.53Å; E2610-Y2614 HydrophobicContact CG-CE2 4Å; E2610-Y2614 WeakPolarHBondContact O-CD2 3.31Å; E2610-Y2614 PolarHBondContact O-N 3.15Å |
| 2611 | R | 76.3 | Confident | 75.4 | Confident | 105 Ų | 105 | 64 Ų | 64 | 40% | 0.396 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.5 | -37.2 | 173.9 | -66.6 | 175.5 | -161.9 | -153.3 | 8 | 113 | D2607 T2608 A2609 G2615 W2912 | D2607-R2611 VanDerWaalsContact O-CG 3.32Å; D2607-R2611 WeakPolarHBondContact O-CG 3.45Å; D2607-R2611 PolarHBondContact O-N 2.72Å; D2607-R2611 IonicContact OD1-CZ 3.66Å; D2607-R2611 IonicContact OD1-NE 3.7Å; D2607-R2611 PolarHBondContact OD1-NE 3.11Å; D2607-R2611 IonicContact OD1-NH2 2.88Å; D2607-R2611 PolarHBondContact OD1-NH2 2.81Å; D2607-R2611 IonicContact OD2-CZ 2.7Å; D2607-R2611 IonicContact OD2-NE 3.35Å; D2607-R2611 IonicContact OD2-NH2 3.59Å; D2607-R2611 PolarHBondContact OD2-NH2 3.38Å; T2608-R2611 PolarHBondContact O-N 2.76Å; A2609-R2611 VanDerWaalsContact C-N 3.33Å; R2611-G2615 CarbonylContact O-C 3.57Å; R2611-G2615 WeakPolarHBondContact O-CA 3.27Å; R2611-G2615 PolarHBondContact O-N 3.03Å; R2611-W2912 HydrophobicContact CB-CH2 4.33Å |
| 2612 | I | 77.9 | Confident | 74.4 | Confident | 4 Ų | 4 | 65.6 Ų | 65.6 | 2% | 0.021 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.4 | -39.5 | 174.7 | -66.8 | 165 | 0 | 0 | 0 | 111.2 | L2226 Y2230 T2608 A2609 E2610 W2912 L2921 P2922 | L2226-I2612 HydrophobicContact CD2-CD1 4.3Å; L2226-I2612 HydrophobicContact CD2-CG2 4.05Å; Y2230-I2612 HydrophobicContact CD1-CD1 3.91Å; Y2230-I2612 HydrophobicContact CE1-CD1 4.34Å; Y2230-I2612 HydrophobicContact CG-CD1 4.04Å; T2608-I2612 HydrophobicContact CG2-CD1 4.49Å; T2608-I2612 VanDerWaalsContact O-CG1 3.3Å; T2608-I2612 WeakPolarHBondContact O-CG1 2.99Å; T2608-I2612 PolarHBondContact O-N 3.4Å; A2609-I2612 PolarHBondContact O-N 3.28Å; E2610-I2612 VanDerWaalsContact C-N 3.33Å; E2610-I2612 PolarHBondContact O-N 3.1Å; I2612-W2912 HydrophobicContact CD1-CZ3 4.05Å; I2612-W2912 HydrophobicContact CG1-CH2 3.85Å; I2612-W2912 HydrophobicContact CG1-CZ3 3.76Å; I2612-L2921 HydrophobicContact CB-CD2 4.35Å; I2612-L2921 HydrophobicContact CG1-CD2 3.95Å; I2612-L2921 HydrophobicContact CG2-CD2 4.38Å; I2612-P2922 WeakPolarHBondContact O-CD 3.34Å; I2612-P2922 WeakPolarHBondContact O-CG 3.34Å |
| 2613 | L | 72.6 | Confident | 73.6 | Confident | 72 Ų | 72 | 63.7 Ų | 63.7 | 38% | 0.377 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -77.4 | -51.8 | -174.6 | -133.5 | 84.8 | 0 | 0 | 0 | 112.7 | L2227 A2609 E2610 | L2227-L2613 HydrophobicContact CD1-CD1 4.36Å; L2227-L2613 HydrophobicContact CD2-CD1 3.59Å; L2227-L2613 HydrophobicContact CG-CD1 4.42Å; A2609-L2613 WeakPolarHBondContact O-CB 3.41Å; A2609-L2613 PolarHBondContact O-N 3.14Å; E2610-L2613 PolarHBondContact O-N 2.89Å; E2610-L2613 VanDerWaalsContact O-N 3.17Å |
| 2614 | Y | 69.1 | Low | 72.6 | Confident | 164 Ų | 164 | 65.5 Ų | 65.5 | 64% | 0.643 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -97.4 | -16.7 | -171.7 | -61.9 | -74.6 | 0 | 0 | 0 | 113.2 | E2610 | E2610-Y2614 HydrophobicContact CB-CD2 4.46Å; E2610-Y2614 HydrophobicContact CG-CD2 3.53Å; E2610-Y2614 HydrophobicContact CG-CE2 4Å; E2610-Y2614 WeakPolarHBondContact O-CD2 3.31Å; E2610-Y2614 PolarHBondContact O-N 3.15Å |
| 2615 | G | 69.8 | Low | 71.9 | Confident | 9 Ų | 9 | 67.6 Ų | 67.6 | 9% | 0.093 | 34% | 0.335 | C | S | . | . | trans | 88.5 | 156.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | R2611 P2922 | R2611-G2615 CarbonylContact O-C 3.57Å; R2611-G2615 WeakPolarHBondContact O-CA 3.27Å; R2611-G2615 PolarHBondContact O-N 3.03Å; G2615-P2922 CarbonylContact C-O 3.49Å; G2615-P2922 WeakPolarHBondContact CA-O 3.47Å | ||
| 2616 | D | 69.9 | Low | 71 | Confident | 77 Ų | 77 | 67.3 Ų | 67.3 | 41% | 0.412 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 145.9 | 178.2 | -143.9 | -12.2 | 0 | 0 | 0 | 110.8 | P2922 Q2923 K2924 | D2616-P2922 PolarHBondContact N-O 3.43Å; D2616-Q2923 WeakPolarHBondContact O-CA 3.47Å; D2616-K2924 PolarHBondContact O-N 3.1Å |
| 2617 | V | 69 | Low | 70 | Confident | 60 Ų | 60 | 65.2 Ų | 65.2 | 36% | 0.364 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 115.2 | -173.4 | -174.4 | 0 | 0 | 0 | 0 | 109.9 | F2619 K2924 L2926 | V2617-F2619 HydrophobicContact CG1-CD2 4.45Å; V2617-F2619 HydrophobicContact CG1-CE1 4.42Å; V2617-F2619 HydrophobicContact CG1-CE2 3.93Å; V2617-F2619 HydrophobicContact CG1-CZ 3.91Å; V2617-K2924 WeakPolarHBondContact CA-O 3.33Å; V2617-L2926 HydrophobicContact CG1-CD1 3.26Å; V2617-L2926 HydrophobicContact CG1-CG 3.93Å |
| 2618 | V | 66.4 | Low | 69.1 | Low | 31 Ų | 31 | 70.3 Ų | 70.3 | 19% | 0.188 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 117.1 | 178 | -177.5 | 0 | 0 | 0 | 0 | 109.1 | P2182 Q2923 K2924 V2925 L2926 | P2182-V2618 HydrophobicContact CB-CG1 4.5Å; P2182-V2618 HydrophobicContact CG-CG1 3.83Å; V2618-Q2923 HydrophobicContact CG2-CB 4.21Å; V2618-Q2923 HydrophobicContact CG2-CG 4.24Å; V2618-K2924 PolarHBondContact N-O 2.92Å; V2618-V2925 WeakPolarHBondContact O-CA 3.47Å; V2618-L2926 PolarHBondContact O-N 3.22Å |
| 2619 | F | 66.5 | Low | 68.4 | Low | 145 Ų | 145 | 78.4 Ų | 78.4 | 64% | 0.636 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 122.6 | 178 | -65.8 | -86 | 0 | 0 | 0 | 110.7 | V2617 L2926 | V2617-F2619 HydrophobicContact CG1-CD2 4.45Å; V2617-F2619 HydrophobicContact CG1-CE1 4.42Å; V2617-F2619 HydrophobicContact CG1-CE2 3.93Å; V2617-F2619 HydrophobicContact CG1-CZ 3.91Å; F2619-L2926 HydrophobicContact CD1-CB 4.16Å; F2619-L2926 HydrophobicContact CD1-CD1 4.34Å; F2619-L2926 HydrophobicContact CE1-CB 4.37Å; F2619-L2926 HydrophobicContact CE1-CD1 3.74Å; F2619-L2926 HydrophobicContact CZ-CD1 4.16Å |
| 2620 | I | 65.6 | Low | 67.3 | Low | 7 Ų | 7 | 82.3 Ų | 82.3 | 4% | 0.036 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 102.9 | 173.7 | -54.4 | -171.3 | 0 | 0 | 0 | 108.5 | T2183 L2622 V2925 L2926 F2927 K2928 | T2183-I2620 HydrophobicContact CG2-CB 4.32Å; T2183-I2620 HydrophobicContact CG2-CD1 4.09Å; T2183-I2620 HydrophobicContact CG2-CG1 3.87Å; T2183-I2620 HydrophobicContact CG2-CG2 3.88Å; I2620-L2622 HydrophobicContact CG2-CG 4.39Å; I2620-L2622 PolarHBondContact O-N 3.46Å; I2620-V2925 HydrophobicContact CD1-CG1 3.28Å; I2620-V2925 HydrophobicContact CG1-CG1 3.7Å; I2620-L2926 PolarHBondContact N-O 2.66Å; I2620-F2927 HydrophobicContact CB-CD1 4.07Å; I2620-F2927 HydrophobicContact CB-CE1 4.4Å; I2620-F2927 HydrophobicContact CD1-CE1 4.08Å; I2620-F2927 HydrophobicContact CG2-CD1 4.29Å; I2620-F2927 HydrophobicContact CG2-CE1 4.5Å; I2620-K2928 PolarHBondContact O-N 3.41Å |
| 2621 | D | 63.8 | Low | 66.2 | Low | 60 Ų | 60 | 82.7 Ų | 82.7 | 32% | 0.321 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 119.8 | 169.5 | -65.8 | -28.8 | 0 | 0 | 0 | 109.8 | R2630 K2928 | D2621-R2630 PolarHBondContact O-NH1 3.18Å; D2621-R2630 PolarHBondContact O-NH2 3.12Å; D2621-R2630 VanDerWaalsContact O-NH2 3.17Å; D2621-K2928 WeakPolarHBondContact OD1-CB 3.44Å; D2621-K2928 WeakPolarHBondContact OD1-CD 3.25Å |
| 2622 | L | 61.9 | Low | 65.4 | Low | 50 Ų | 50 | 82.7 Ų | 82.7 | 26% | 0.262 | 39% | 0.39 | S | S | . | . | trans | -107.6 | 11.7 | 172.9 | -72.6 | 170.8 | 0 | 0 | 0 | 111.9 | L2205 I2620 L2627 F2927 K2928 | L2205-L2622 HydrophobicContact CD1-CD1 4.45Å; L2205-L2622 HydrophobicContact CD2-CD2 4.14Å; I2620-L2622 HydrophobicContact CG2-CG 4.39Å; I2620-L2622 PolarHBondContact O-N 3.46Å; L2622-L2627 HydrophobicContact CD2-CD1 4.5Å; L2622-F2927 HydrophobicContact CD1-CB 4.07Å; L2622-F2927 HydrophobicContact CD1-CD1 3.55Å; L2622-F2927 HydrophobicContact CD1-CE1 4.37Å; L2622-F2927 HydrophobicContact CD1-CG 4.12Å; L2622-F2927 HydrophobicContact CG-CD1 4.27Å; L2622-K2928 PolarHBondContact N-O 2.9Å | ||
| 2623 | T | 66.2 | Low | 64.5 | Low | 26 Ų | 26 | 87.2 Ų | 87.2 | 16% | 0.16 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -65.4 | 153.8 | 174.5 | 59.8 | 0 | 0 | 0 | 0 | 110.8 | E2625 G2626 L2627 D2930 | T2623-E2625 VanDerWaalsContact C-N 3.29Å; T2623-E2625 PolarHBondContact O-N 3.07Å; T2623-G2626 WeakPolarHBondContact O-CA 3.42Å; T2623-G2626 PolarHBondContact O-N 3.19Å; T2623-G2626 PolarHBondContact OG1-N 3.27Å; T2623-L2627 PolarHBondContact O-N 2.86Å; T2623-D2930 WeakPolarHBondContact CG2-OD2 3.43Å |
| 2624 | E | 61.3 | Low | 63.5 | Low | 157 Ų | 157 | 95.4 Ų | 95.4 | 73% | 0.734 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -57.8 | -42.4 | -177.6 | -162.5 | 176.9 | 172.8 | 0 | 0 | 111.6 | G2626 L2627 R2628 | E2624-G2626 VanDerWaalsContact C-N 3.32Å; E2624-G2626 PolarHBondContact O-N 3.34Å; E2624-L2627 PolarHBondContact O-N 2.61Å; E2624-R2628 VanDerWaalsContact O-CB 3.26Å; E2624-R2628 WeakPolarHBondContact O-CB 3.25Å; E2624-R2628 PolarHBondContact O-N 2.94Å |
| 2625 | E | 64.1 | Low | 63.1 | Low | 140 Ų | 140 | 93.4 Ų | 93.4 | 65% | 0.654 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -57.9 | -41 | 170.3 | -116.6 | 66.8 | -140.5 | 0 | 0 | 112.9 | T2623 R2629 | T2623-E2625 VanDerWaalsContact C-N 3.29Å; T2623-E2625 PolarHBondContact O-N 3.07Å; E2625-R2629 WeakPolarHBondContact O-CB 3.31Å; E2625-R2629 PolarHBondContact O-N 3.44Å |
| 2626 | G | 65 | Low | 62.6 | Low | 12 Ų | 12 | 101 Ų | 101 | 12% | 0.124 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -67.7 | -38.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T2623 E2624 R2630 | T2623-G2626 WeakPolarHBondContact O-CA 3.42Å; T2623-G2626 PolarHBondContact O-N 3.19Å; T2623-G2626 PolarHBondContact OG1-N 3.27Å; E2624-G2626 VanDerWaalsContact C-N 3.32Å; E2624-G2626 PolarHBondContact O-N 3.34Å; G2626-R2630 WeakPolarHBondContact O-CD 3.48Å; G2626-R2630 WeakPolarHBondContact O-CG 3.21Å; G2626-R2630 PolarHBondContact O-N 3.08Å |
| 2627 | L | 62.1 | Low | 62.2 | Low | 41 Ų | 41 | 103.9 Ų | 103.9 | 22% | 0.215 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -72.1 | -42.6 | 175.5 | -131.7 | 78.8 | 0 | 0 | 0 | 111.3 | V2203 L2622 T2623 E2624 R2630 M2631 | V2203-L2627 HydrophobicContact CG2-CD2 4.16Å; L2622-L2627 HydrophobicContact CD2-CD1 4.5Å; T2623-L2627 PolarHBondContact O-N 2.86Å; E2624-L2627 PolarHBondContact O-N 2.61Å; L2627-R2630 PolarHBondContact O-N 3.37Å; L2627-R2630 VanDerWaalsContact O-N 3.16Å; L2627-M2631 HydrophobicContact CB-CE 4.43Å; L2627-M2631 HydrophobicContact CD2-CE 3.7Å; L2627-M2631 HydrophobicContact CG-CE 4.04Å; L2627-M2631 PolarHBondContact O-N 3.28Å |
| 2628 | R | 62.4 | Low | 62.1 | Low | 171 Ų | 171 | 107.9 Ų | 107.9 | 65% | 0.645 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.6 | -41 | -179.9 | -167.5 | 176.1 | -172.7 | 163.8 | 4.2 | 112.9 | E2624 R2630 M2631 T2632 | E2624-R2628 VanDerWaalsContact O-CB 3.26Å; E2624-R2628 WeakPolarHBondContact O-CB 3.25Å; E2624-R2628 PolarHBondContact O-N 2.94Å; R2628-R2630 PolarHBondContact O-N 3.43Å; R2628-M2631 PolarHBondContact O-N 2.79Å; R2628-T2632 PolarHBondContact O-OG1 3.07Å |
| 2629 | R | 64.3 | Low | 62 | Low | 188 Ų | 188 | 111.5 Ų | 111.5 | 71% | 0.709 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.5 | -24.5 | 174.9 | -157.1 | 174.9 | -165.9 | 169.1 | 5.6 | 112.3 | E2625 T2632 E2633 | E2625-R2629 WeakPolarHBondContact O-CB 3.31Å; E2625-R2629 PolarHBondContact O-N 3.44Å; R2629-T2632 PolarHBondContact O-OG1 3.48Å; R2629-E2633 WeakPolarHBondContact O-CG 3.22Å |
| 2630 | R | 59 | Low | 62 | Low | 98 Ų | 98 | 105.3 Ų | 105.3 | 37% | 0.37 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -89 | -30.6 | 178.7 | -70.4 | 175.8 | -166.2 | 161.2 | 10.6 | 113.8 | D2621 G2626 L2627 R2628 T2632 | D2621-R2630 PolarHBondContact O-NH1 3.18Å; D2621-R2630 PolarHBondContact O-NH2 3.12Å; D2621-R2630 VanDerWaalsContact O-NH2 3.17Å; G2626-R2630 WeakPolarHBondContact O-CD 3.48Å; G2626-R2630 WeakPolarHBondContact O-CG 3.21Å; G2626-R2630 PolarHBondContact O-N 3.08Å; L2627-R2630 PolarHBondContact O-N 3.37Å; L2627-R2630 VanDerWaalsContact O-N 3.16Å; R2628-R2630 PolarHBondContact O-N 3.43Å; R2630-T2632 VanDerWaalsContact C-N 3.31Å; R2630-T2632 PolarHBondContact O-N 3.14Å |
| 2631 | M | 57.6 | Low | 62 | Low | 119 Ų | 119 | 110.4 Ų | 110.4 | 59% | 0.586 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -73.8 | -19.1 | 177.2 | -71.8 | -164.7 | -130.3 | 0 | 0 | 114 | L2627 R2628 | L2627-M2631 HydrophobicContact CB-CE 4.43Å; L2627-M2631 HydrophobicContact CD2-CE 3.7Å; L2627-M2631 HydrophobicContact CG-CE 4.04Å; L2627-M2631 PolarHBondContact O-N 3.28Å; R2628-M2631 PolarHBondContact O-N 2.79Å |
| 2632 | T | 59.4 | Low | 62.4 | Low | 106 Ų | 106 | 114.5 Ų | 114.5 | 65% | 0.65 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -3.1 | -176.4 | 43.5 | 0 | 0 | 0 | 0 | 114.3 | R2628 R2629 R2630 | R2628-T2632 PolarHBondContact O-OG1 3.07Å; R2629-T2632 PolarHBondContact O-OG1 3.48Å; R2630-T2632 VanDerWaalsContact C-N 3.31Å; R2630-T2632 PolarHBondContact O-N 3.14Å |
| 2633 | E | 57.7 | Low | 62.6 | Low | 99 Ų | 99 | 116.7 Ų | 116.7 | 46% | 0.463 | 53% | 0.533 | S | S | . | . | trans | -109.5 | 105.2 | -168.6 | -67.6 | -176.5 | 176.2 | 0 | 0 | 113.1 | R2629 K2639 | R2629-E2633 WeakPolarHBondContact O-CG 3.22Å; E2633-K2639 IonicContact OE2-NZ 3.47Å; E2633-K2639 PolarHBondContact OE2-NZ 3Å | ||
| 2634 | R | 52.9 | Low | 62.6 | Low | 244 Ų | 244 | 115.4 Ų | 115.4 | 92% | 0.921 | 53% | 0.526 | S | S | * | . | trans | -95.9 | -9.5 | -175.8 | -94.5 | -177.4 | 173.1 | 135.4 | -2 | 117.3 | ||||
| 2635 | N | 59.1 | Low | 62.9 | Low | 121 Ų | 121 | 113.6 Ų | 113.6 | 65% | 0.647 | 52% | 0.515 | S | S | * | . | trans | -111 | 95.4 | -173.2 | -74.5 | -1.8 | 0 | 0 | 0 | 114.6 | ||||
| 2636 | K | 59.8 | Low | 63.2 | Low | 168 Ų | 168 | 113 Ų | 113 | 73% | 0.73 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -72.5 | -39.2 | -173.6 | -63.6 | -178.9 | 179.7 | 179.7 | 0 | 115.3 | G2640 | K2636-G2640 PolarHBondContact O-N 3.37Å; K2636-G2640 VanDerWaalsContact O-N 3.12Å |
| 2637 | L | 62 | Low | 63.3 | Low | 139 Ų | 139 | 113.9 Ų | 113.9 | 73% | 0.728 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -71.7 | -39.4 | -173.6 | -82.1 | 164.9 | 0 | 0 | 0 | 113.9 | K2639 G2640 F2641 | L2637-K2639 VanDerWaalsContact C-N 3.31Å; L2637-K2639 PolarHBondContact O-N 2.93Å; L2637-G2640 PolarHBondContact O-N 2.95Å; L2637-F2641 PolarHBondContact O-N 3.03Å |
| 2638 | Q | 66.2 | Low | 63.5 | Low | 144 Ų | 144 | 114.9 Ų | 114.9 | 67% | 0.673 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69 | -33.3 | -178.2 | -166.2 | 177.4 | 5.1 | 0 | 0 | 111.7 | K2642 | Q2638-K2642 WeakPolarHBondContact O-CB 3.32Å; Q2638-K2642 PolarHBondContact O-N 3Å |
| 2639 | K | 64.6 | Low | 63.8 | Low | 107 Ų | 107 | 111.8 Ų | 111.8 | 47% | 0.465 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -73.9 | -38.4 | 173.5 | -160.1 | 176.8 | -176.6 | -179.7 | 0 | 111.3 | E2633 L2637 F2641 K2642 H2643 | E2633-K2639 IonicContact OE2-NZ 3.47Å; E2633-K2639 PolarHBondContact OE2-NZ 3Å; L2637-K2639 VanDerWaalsContact C-N 3.31Å; L2637-K2639 PolarHBondContact O-N 2.93Å; K2639-F2641 VanDerWaalsContact C-N 3.34Å; K2639-F2641 PolarHBondContact O-N 3.26Å; K2639-K2642 PolarHBondContact O-N 2.79Å; K2639-H2643 WeakPolarHBondContact O-CB 3.21Å; K2639-H2643 PolarHBondContact O-N 3.15Å |
| 2640 | G | 66 | Low | 64.1 | Low | 14 Ų | 14 | 107.9 Ų | 107.9 | 14% | 0.144 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -58.9 | -42.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | K2636 L2637 H2643 A2644 | K2636-G2640 PolarHBondContact O-N 3.37Å; K2636-G2640 VanDerWaalsContact O-N 3.12Å; L2637-G2640 PolarHBondContact O-N 2.95Å; G2640-H2643 PolarHBondContact O-N 3.44Å; G2640-A2644 WeakPolarHBondContact O-CB 3.45Å; G2640-A2644 PolarHBondContact O-N 3.3Å |
| 2641 | F | 67 | Low | 64.5 | Low | 114 Ų | 114 | 107.4 Ų | 107.4 | 50% | 0.5 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.5 | -41.8 | 175 | -140.1 | -89.6 | 0 | 0 | 0 | 112.6 | F2173 V2177 L2637 K2639 F2645 | F2173-F2641 HydrophobicContact CE1-CD2 4.42Å; F2173-F2641 HydrophobicContact CE1-CE1 4.49Å; F2173-F2641 AromaticContact CE1-CE2 3.64Å; F2173-F2641 HydrophobicContact CE1-CE2 3.64Å; F2173-F2641 AromaticContact CE1-CZ 3.7Å; F2173-F2641 HydrophobicContact CE1-CZ 3.7Å; F2173-F2641 HydrophobicContact CZ-CD1 4.34Å; F2173-F2641 HydrophobicContact CZ-CD2 4.29Å; F2173-F2641 AromaticContact CZ-CE1 3.73Å; F2173-F2641 HydrophobicContact CZ-CE1 3.73Å; F2173-F2641 AromaticContact CZ-CE2 3.67Å; F2173-F2641 HydrophobicContact CZ-CE2 3.67Å; F2173-F2641 AromaticContact CZ-CZ 3.38Å; F2173-F2641 HydrophobicContact CZ-CZ 3.38Å; V2177-F2641 HydrophobicContact CG1-CD2 4.25Å; V2177-F2641 HydrophobicContact CG2-CD2 3.94Å; V2177-F2641 HydrophobicContact CG2-CE2 4.39Å; L2637-F2641 PolarHBondContact O-N 3.03Å; K2639-F2641 VanDerWaalsContact C-N 3.34Å; K2639-F2641 PolarHBondContact O-N 3.26Å; F2641-F2645 VanDerWaalsContact O-CB 3.26Å; F2641-F2645 WeakPolarHBondContact O-CB 3.29Å; F2641-F2645 PolarHBondContact O-N 3.1Å |
| 2642 | K | 71.3 | Confident | 65 | Low | 147 Ų | 147 | 106.2 Ų | 106.2 | 64% | 0.639 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.6 | -39.3 | 176.6 | -173.6 | 177.1 | 179.5 | 179.5 | 0 | 111.9 | Q2638 K2639 Q2646 | Q2638-K2642 WeakPolarHBondContact O-CB 3.32Å; Q2638-K2642 PolarHBondContact O-N 3Å; K2639-K2642 PolarHBondContact O-N 2.79Å; K2642-Q2646 VanDerWaalsContact O-CB 3.23Å; K2642-Q2646 WeakPolarHBondContact O-CB 3.44Å; K2642-Q2646 PolarHBondContact O-N 3.11Å |
| 2643 | H | 66.1 | Low | 65.4 | Low | 95 Ų | 95 | 104.4 Ų | 104.4 | 44% | 0.44 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.7 | -51.1 | 177 | -160.2 | -90.3 | 0 | 0 | 0 | 109.5 | K2639 G2640 F2645 Q2646 T2647 | K2639-H2643 WeakPolarHBondContact O-CB 3.21Å; K2639-H2643 PolarHBondContact O-N 3.15Å; G2640-H2643 PolarHBondContact O-N 3.44Å; H2643-F2645 VanDerWaalsContact C-N 3.29Å; H2643-F2645 PolarHBondContact O-N 3.43Å; H2643-Q2646 CarbonylContact O-C 3.54Å; H2643-Q2646 WeakPolarHBondContact O-CA 3.43Å; H2643-Q2646 PolarHBondContact O-N 3.21Å; H2643-T2647 PolarHBondContact O-N 3.4Å; H2643-T2647 PolarHBondContact O-OG1 2.91Å |
| 2644 | A | 65.7 | Low | 66.1 | Low | 0 Ų | 0 | 103 Ų | 103 | 0% | 0 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -53.8 | -44.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F2176 V2177 G2640 T2647 I2648 | F2176-A2644 HydrophobicContact CB-CB 3.5Å; F2176-A2644 VanDerWaalsContact CB-CB 3.5Å; V2177-A2644 HydrophobicContact CG2-CB 3.7Å; G2640-A2644 WeakPolarHBondContact O-CB 3.45Å; G2640-A2644 PolarHBondContact O-N 3.3Å; A2644-T2647 PolarHBondContact O-N 3.23Å; A2644-I2648 VanDerWaalsContact O-CB 3.3Å; A2644-I2648 WeakPolarHBondContact O-CB 3.44Å; A2644-I2648 WeakPolarHBondContact O-CD1 3.19Å; A2644-I2648 WeakPolarHBondContact O-CG1 3.3Å; A2644-I2648 PolarHBondContact O-N 3.3Å |
| 2645 | F | 68.5 | Low | 67 | Low | 118 Ų | 118 | 99 Ų | 99 | 52% | 0.518 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 175 | -171.4 | -97.8 | 0 | 0 | 0 | 111.6 | F2641 H2643 T2647 I2648 M2649 | F2641-F2645 VanDerWaalsContact O-CB 3.26Å; F2641-F2645 WeakPolarHBondContact O-CB 3.29Å; F2641-F2645 PolarHBondContact O-N 3.1Å; H2643-F2645 VanDerWaalsContact C-N 3.29Å; H2643-F2645 PolarHBondContact O-N 3.43Å; F2645-T2647 PolarHBondContact O-N 3.06Å; F2645-I2648 PolarHBondContact O-N 3.34Å; F2645-M2649 HydrophobicContact CE1-SD 4.19Å; F2645-M2649 HydrophobicContact CZ-CE 4.18Å; F2645-M2649 HydrophobicContact CZ-SD 3.92Å; F2645-M2649 VanDerWaalsContact O-CB 3.23Å; F2645-M2649 WeakPolarHBondContact O-CB 3.48Å; F2645-M2649 PolarHBondContact O-N 3.18Å |
| 2646 | Q | 71.4 | Confident | 67.6 | Low | 127 Ų | 127 | 100.5 Ų | 100.5 | 59% | 0.593 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -67.3 | -34.3 | 179.4 | -169.9 | 172.4 | -6.1 | 0 | 0 | 112.9 | K2642 H2643 | K2642-Q2646 VanDerWaalsContact O-CB 3.23Å; K2642-Q2646 WeakPolarHBondContact O-CB 3.44Å; K2642-Q2646 PolarHBondContact O-N 3.11Å; H2643-Q2646 CarbonylContact O-C 3.54Å; H2643-Q2646 WeakPolarHBondContact O-CA 3.43Å; H2643-Q2646 PolarHBondContact O-N 3.21Å |
| 2647 | T | 67.1 | Low | 68.3 | Low | 31 Ų | 31 | 97.4 Ų | 97.4 | 19% | 0.19 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -72.7 | -39.7 | 174.9 | -34.2 | 0 | 0 | 0 | 0 | 111.1 | F2176 H2643 A2644 F2645 M2649 Q2650 | F2176-T2647 HydrophobicContact CD1-CG2 4.33Å; F2176-T2647 HydrophobicContact CE1-CG2 3.91Å; F2176-T2647 HydrophobicContact CZ-CG2 4.37Å; H2643-T2647 PolarHBondContact O-N 3.4Å; H2643-T2647 PolarHBondContact O-OG1 2.91Å; A2644-T2647 PolarHBondContact O-N 3.23Å; F2645-T2647 PolarHBondContact O-N 3.06Å; T2647-M2649 VanDerWaalsContact C-N 3.33Å; T2647-Q2650 WeakPolarHBondContact O-CB 3.37Å; T2647-Q2650 WeakPolarHBondContact O-CG 3.09Å; T2647-Q2650 PolarHBondContact O-N 3.34Å |
| 2648 | I | 66.3 | Low | 69 | Low | 62 Ų | 62 | 94 Ų | 94 | 32% | 0.318 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.2 | -37 | 174.7 | -69.9 | 166.1 | 0 | 0 | 0 | 110.8 | F2173 F2176 A2644 F2645 Q2650 T2653 I2654 | F2173-I2648 HydrophobicContact CD2-CD1 3.48Å; F2173-I2648 VanDerWaalsContact CD2-CD1 3.48Å; F2173-I2648 HydrophobicContact CE2-CD1 3.96Å; F2176-I2648 HydrophobicContact CD2-CG1 4.42Å; A2644-I2648 VanDerWaalsContact O-CB 3.3Å; A2644-I2648 WeakPolarHBondContact O-CB 3.44Å; A2644-I2648 WeakPolarHBondContact O-CD1 3.19Å; A2644-I2648 WeakPolarHBondContact O-CG1 3.3Å; A2644-I2648 PolarHBondContact O-N 3.3Å; F2645-I2648 PolarHBondContact O-N 3.34Å; I2648-Q2650 PolarHBondContact O-N 3.48Å; I2648-Q2650 VanDerWaalsContact O-N 3.17Å; I2648-T2653 PolarHBondContact O-OG1 3.29Å; I2648-I2654 WeakPolarHBondContact O-CG1 3.29Å |
| 2649 | M | 66.8 | Low | 69.5 | Low | 107 Ų | 107 | 90 Ų | 90 | 53% | 0.527 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 3.8 | 179.4 | -144 | 76.8 | 163.3 | 0 | 0 | 114.3 | F2645 T2647 I2654 | F2645-M2649 HydrophobicContact CE1-SD 4.19Å; F2645-M2649 HydrophobicContact CZ-CE 4.18Å; F2645-M2649 HydrophobicContact CZ-SD 3.92Å; F2645-M2649 VanDerWaalsContact O-CB 3.23Å; F2645-M2649 WeakPolarHBondContact O-CB 3.48Å; F2645-M2649 PolarHBondContact O-N 3.18Å; T2647-M2649 VanDerWaalsContact C-N 3.33Å; M2649-I2654 HydrophobicContact CB-CD1 4.36Å; M2649-I2654 HydrophobicContact CG-CD1 3.95Å; M2649-I2654 HydrophobicContact SD-CD1 3.52Å; M2649-I2654 VanDerWaalsContact SD-CD1 3.52Å |
| 2650 | Q | 70.7 | Confident | 70 | Confident | 105 Ų | 105 | 86 Ų | 86 | 49% | 0.491 | 43% | 0.434 | S | S | . | . | trans | -60.5 | 136 | 173.1 | -73.4 | -172.3 | -4 | 0 | 0 | 110.3 | T2647 I2648 N2652 T2653 I2654 | T2647-Q2650 WeakPolarHBondContact O-CB 3.37Å; T2647-Q2650 WeakPolarHBondContact O-CG 3.09Å; T2647-Q2650 PolarHBondContact O-N 3.34Å; I2648-Q2650 PolarHBondContact O-N 3.48Å; I2648-Q2650 VanDerWaalsContact O-N 3.17Å; Q2650-N2652 PolarHBondContact O-N 2.98Å; Q2650-T2653 PolarHBondContact O-N 3.37Å; Q2650-T2653 PolarHBondContact O-OG1 3.03Å; Q2650-I2654 PolarHBondContact O-N 3.39Å | ||
| 2651 | P | 68.8 | Low | 70.7 | Confident | 88 Ų | 88 | 88.6 Ų | 88.6 | 57% | 0.571 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -63.5 | -18.2 | -171.1 | 23.3 | -33.8 | 0 | 0 | 0 | 113.4 | R2655 | P2651-R2655 VanDerWaalsContact O-CB 3.29Å; P2651-R2655 WeakPolarHBondContact O-CB 3.5Å; P2651-R2655 WeakPolarHBondContact O-CG 3.4Å; P2651-R2655 PolarHBondContact O-N 3.15Å; P2651-R2655 PolarHBondContact O-NE 3.18Å |
| 2652 | N | 66.9 | Low | 71.4 | Confident | 94 Ų | 94 | 87.3 Ų | 87.3 | 50% | 0.503 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -83.4 | -32.3 | -179.3 | -73.2 | -10.2 | 0 | 0 | 0 | 113.5 | Q2650 R2655 K2656 | Q2650-N2652 PolarHBondContact O-N 2.98Å; N2652-R2655 PolarHBondContact OD1-NH2 3.44Å; N2652-K2656 WeakPolarHBondContact O-CD 3.48Å; N2652-K2656 VanDerWaalsContact O-CG 3.28Å; N2652-K2656 WeakPolarHBondContact O-CG 3.24Å |
| 2653 | T | 69 | Low | 71.9 | Confident | 68 Ų | 68 | 81.8 Ų | 81.8 | 42% | 0.417 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -79.4 | -45.3 | 179.4 | 39.7 | 0 | 0 | 0 | 0 | 111.1 | I2648 Q2650 K2656 L2657 | I2648-T2653 PolarHBondContact O-OG1 3.29Å; Q2650-T2653 PolarHBondContact O-N 3.37Å; Q2650-T2653 PolarHBondContact O-OG1 3.03Å; T2653-K2656 PolarHBondContact O-N 2.88Å; T2653-L2657 PolarHBondContact O-N 3.05Å |
| 2654 | I | 71.5 | Confident | 72.6 | Confident | 69 Ų | 69 | 78.2 Ų | 78.2 | 35% | 0.354 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 177.3 | -67.9 | -179.2 | 0 | 0 | 0 | 111.4 | I2648 M2649 Q2650 K2656 L2657 C2658 | I2648-I2654 WeakPolarHBondContact O-CG1 3.29Å; M2649-I2654 HydrophobicContact CB-CD1 4.36Å; M2649-I2654 HydrophobicContact CG-CD1 3.95Å; M2649-I2654 HydrophobicContact SD-CD1 3.52Å; M2649-I2654 VanDerWaalsContact SD-CD1 3.52Å; Q2650-I2654 PolarHBondContact O-N 3.39Å; I2654-K2656 VanDerWaalsContact C-N 3.29Å; I2654-K2656 PolarHBondContact O-N 3.19Å; I2654-L2657 PolarHBondContact O-N 3.4Å; I2654-C2658 VanDerWaalsContact O-CB 3.3Å; I2654-C2658 WeakPolarHBondContact O-CB 3.3Å; I2654-C2658 PolarHBondContact O-N 3.41Å |
| 2655 | R | 72.1 | Confident | 73.4 | Confident | 161 Ų | 161 | 82.7 Ų | 82.7 | 61% | 0.608 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -59.5 | -41.3 | 179.5 | -78.7 | -173.2 | -66.7 | 169.7 | -3.2 | 112 | P2651 N2652 A2659 | P2651-R2655 VanDerWaalsContact O-CB 3.29Å; P2651-R2655 WeakPolarHBondContact O-CB 3.5Å; P2651-R2655 WeakPolarHBondContact O-CG 3.4Å; P2651-R2655 PolarHBondContact O-N 3.15Å; P2651-R2655 PolarHBondContact O-NE 3.18Å; N2652-R2655 PolarHBondContact OD1-NH2 3.44Å; R2655-A2659 WeakPolarHBondContact O-CB 3.47Å; R2655-A2659 PolarHBondContact O-N 3.43Å |
| 2656 | K | 72.4 | Confident | 74 | Confident | 153 Ų | 153 | 82.3 Ų | 82.3 | 67% | 0.665 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -66.8 | -42.8 | 177.8 | -72.6 | 176.6 | -177.9 | -178 | 0 | 112.1 | N2652 T2653 I2654 S2660 | N2652-K2656 WeakPolarHBondContact O-CD 3.48Å; N2652-K2656 VanDerWaalsContact O-CG 3.28Å; N2652-K2656 WeakPolarHBondContact O-CG 3.24Å; T2653-K2656 PolarHBondContact O-N 2.88Å; I2654-K2656 VanDerWaalsContact C-N 3.29Å; I2654-K2656 PolarHBondContact O-N 3.19Å; K2656-S2660 VanDerWaalsContact O-CB 3.31Å; K2656-S2660 WeakPolarHBondContact O-CB 3.18Å; K2656-S2660 PolarHBondContact O-N 2.81Å; K2656-S2660 PolarHBondContact O-OG 3.23Å |
| 2657 | L | 73.7 | Confident | 74.5 | Confident | 103 Ų | 103 | 76.9 Ų | 76.9 | 54% | 0.539 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -69.3 | -42.3 | 179.5 | -168 | 149.6 | 0 | 0 | 0 | 111.9 | T2653 I2654 S2660 V2661 | T2653-L2657 PolarHBondContact O-N 3.05Å; I2654-L2657 PolarHBondContact O-N 3.4Å; L2657-S2660 WeakPolarHBondContact CA-OG 2.99Å; L2657-S2660 PolarHBondContact O-N 3.32Å; L2657-S2660 PolarHBondContact O-OG 3.4Å; L2657-V2661 HydrophobicContact CD2-CG2 4.21Å; L2657-V2661 VanDerWaalsContact O-CG2 3.3Å; L2657-V2661 WeakPolarHBondContact O-CG2 3.37Å; L2657-V2661 PolarHBondContact O-N 2.9Å |
| 2658 | C | 77.8 | Confident | 75.1 | Confident | 67 Ų | 67 | 76.8 Ų | 76.8 | 45% | 0.453 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67.3 | -45.5 | 177.9 | -157.4 | 0 | 0 | 0 | 0 | 111.1 | I2654 S2660 V2661 I2662 | I2654-C2658 VanDerWaalsContact O-CB 3.3Å; I2654-C2658 WeakPolarHBondContact O-CB 3.3Å; I2654-C2658 PolarHBondContact O-N 3.41Å; C2658-S2660 VanDerWaalsContact C-N 3.28Å; C2658-S2660 PolarHBondContact O-N 3.29Å; C2658-V2661 PolarHBondContact O-N 3.38Å; C2658-I2662 WeakPolarHBondContact O-CB 3.13Å; C2658-I2662 VanDerWaalsContact O-CG1 3.25Å; C2658-I2662 WeakPolarHBondContact O-CG1 3.46Å; C2658-I2662 PolarHBondContact O-N 3.27Å |
| 2659 | A | 76 | Confident | 75.8 | Confident | 60 Ų | 60 | 78.8 Ų | 78.8 | 50% | 0.496 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.7 | -38.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R2655 A2663 | R2655-A2659 WeakPolarHBondContact O-CB 3.47Å; R2655-A2659 PolarHBondContact O-N 3.43Å; A2659-A2663 WeakPolarHBondContact O-CB 3.29Å; A2659-A2663 PolarHBondContact O-N 2.6Å |
| 2660 | S | 74.9 | Confident | 76.3 | Confident | 22 Ų | 22 | 75.4 Ų | 75.4 | 15% | 0.154 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -69.4 | -39.8 | 178.4 | 69.2 | 0 | 0 | 0 | 0 | 113.2 | K2656 L2657 C2658 A2663 L2664 | K2656-S2660 VanDerWaalsContact O-CB 3.31Å; K2656-S2660 WeakPolarHBondContact O-CB 3.18Å; K2656-S2660 PolarHBondContact O-N 2.81Å; K2656-S2660 PolarHBondContact O-OG 3.23Å; L2657-S2660 WeakPolarHBondContact CA-OG 2.99Å; L2657-S2660 PolarHBondContact O-N 3.32Å; L2657-S2660 PolarHBondContact O-OG 3.4Å; C2658-S2660 VanDerWaalsContact C-N 3.28Å; C2658-S2660 PolarHBondContact O-N 3.29Å; S2660-A2663 PolarHBondContact O-N 2.94Å; S2660-L2664 WeakPolarHBondContact O-CG 3.45Å; S2660-L2664 PolarHBondContact O-N 3.39Å; S2660-L2664 VanDerWaalsContact O-N 3.07Å |
| 2661 | V | 80.1 | Confident | 76.7 | Confident | 70 Ų | 70 | 70.8 Ų | 70.8 | 42% | 0.424 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.5 | -42.6 | 176.4 | 171.7 | 0 | 0 | 0 | 0 | 110.5 | L2657 C2658 A2663 L2664 L2665 | L2657-V2661 HydrophobicContact CD2-CG2 4.21Å; L2657-V2661 VanDerWaalsContact O-CG2 3.3Å; L2657-V2661 WeakPolarHBondContact O-CG2 3.37Å; L2657-V2661 PolarHBondContact O-N 2.9Å; C2658-V2661 PolarHBondContact O-N 3.38Å; V2661-A2663 PolarHBondContact O-N 3.49Å; V2661-L2664 PolarHBondContact O-N 2.93Å; V2661-L2665 HydrophobicContact CG1-CD1 4.02Å; V2661-L2665 HydrophobicContact CG1-CG 4.46Å; V2661-L2665 WeakPolarHBondContact O-CB 3.4Å; V2661-L2665 WeakPolarHBondContact O-CG 3.47Å; V2661-L2665 PolarHBondContact O-N 3.47Å |
| 2662 | I | 82.6 | Confident | 77 | Confident | 86 Ų | 86 | 69.9 Ų | 69.9 | 44% | 0.441 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.7 | -44 | 176.2 | -68.4 | 166 | 0 | 0 | 0 | 110.6 | C2658 L2664 L2665 I2666 | C2658-I2662 WeakPolarHBondContact O-CB 3.13Å; C2658-I2662 VanDerWaalsContact O-CG1 3.25Å; C2658-I2662 WeakPolarHBondContact O-CG1 3.46Å; C2658-I2662 PolarHBondContact O-N 3.27Å; I2662-L2664 PolarHBondContact O-N 2.92Å; I2662-L2665 PolarHBondContact O-N 3.48Å; I2662-I2666 HydrophobicContact CG2-CD1 3.71Å; I2662-I2666 HydrophobicContact CG2-CG1 4.3Å; I2662-I2666 WeakPolarHBondContact O-CG1 3.44Å; I2662-I2666 PolarHBondContact O-N 3.35Å |
| 2663 | A | 80.9 | Confident | 77.5 | Confident | 31 Ų | 31 | 69.2 Ų | 69.2 | 26% | 0.256 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A2659 S2660 V2661 L2665 I2666 V2667 I2898 | A2659-A2663 WeakPolarHBondContact O-CB 3.29Å; A2659-A2663 PolarHBondContact O-N 2.6Å; S2660-A2663 PolarHBondContact O-N 2.94Å; V2661-A2663 PolarHBondContact O-N 3.49Å; A2663-L2665 VanDerWaalsContact C-N 3.35Å; A2663-L2665 PolarHBondContact O-N 3.07Å; A2663-I2666 PolarHBondContact O-N 3.08Å; A2663-V2667 WeakPolarHBondContact O-CG2 3.36Å; A2663-V2667 PolarHBondContact O-N 3.23Å; A2663-V2667 VanDerWaalsContact O-N 3.14Å; A2663-I2898 HydrophobicContact CB-CD1 4.45Å; A2663-I2898 HydrophobicContact CB-CG2 4.37Å |
| 2664 | L | 80.9 | Confident | 78 | Confident | 21 Ų | 21 | 66.2 Ų | 66.2 | 11% | 0.11 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 174.8 | -74.1 | 169.8 | 0 | 0 | 0 | 112 | L2165 S2660 V2661 I2662 T2668 F2895 I2898 I2902 | L2165-L2664 HydrophobicContact CD1-CD1 4.49Å; S2660-L2664 WeakPolarHBondContact O-CG 3.45Å; S2660-L2664 PolarHBondContact O-N 3.39Å; S2660-L2664 VanDerWaalsContact O-N 3.07Å; V2661-L2664 PolarHBondContact O-N 2.93Å; I2662-L2664 PolarHBondContact O-N 2.92Å; L2664-T2668 WeakPolarHBondContact O-CB 3.42Å; L2664-T2668 VanDerWaalsContact O-CG2 3.24Å; L2664-T2668 WeakPolarHBondContact O-CG2 3.35Å; L2664-T2668 PolarHBondContact O-N 2.85Å; L2664-T2668 PolarHBondContact O-OG1 3.45Å; L2664-F2895 HydrophobicContact CD2-CD2 3.86Å; L2664-F2895 HydrophobicContact CD2-CE2 3.52Å; L2664-F2895 HydrophobicContact CD2-CZ 4.29Å; L2664-I2898 HydrophobicContact CD2-CG2 4.18Å; L2664-I2898 HydrophobicContact CG-CG2 4.33Å; L2664-I2902 HydrophobicContact CD1-CD1 3.7Å; L2664-I2902 HydrophobicContact CD2-CD1 4.5Å; L2664-I2902 HydrophobicContact CG-CD1 3.99Å |
| 2665 | L | 82.1 | Confident | 78.1 | Confident | 93 Ų | 93 | 66.4 Ų | 66.4 | 49% | 0.487 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.7 | -44.5 | 176.6 | -76.5 | 172.3 | 0 | 0 | 0 | 112.4 | V2661 I2662 A2663 V2667 T2668 Q2669 | V2661-L2665 HydrophobicContact CG1-CD1 4.02Å; V2661-L2665 HydrophobicContact CG1-CG 4.46Å; V2661-L2665 WeakPolarHBondContact O-CB 3.4Å; V2661-L2665 WeakPolarHBondContact O-CG 3.47Å; V2661-L2665 PolarHBondContact O-N 3.47Å; I2662-L2665 PolarHBondContact O-N 3.48Å; A2663-L2665 VanDerWaalsContact C-N 3.35Å; A2663-L2665 PolarHBondContact O-N 3.07Å; L2665-V2667 PolarHBondContact O-N 3.13Å; L2665-T2668 WeakPolarHBondContact CA-OG1 3.43Å; L2665-T2668 PolarHBondContact O-N 3.11Å; L2665-T2668 PolarHBondContact O-OG1 2.88Å; L2665-T2668 VanDerWaalsContact O-OG1 3.07Å; L2665-Q2669 VanDerWaalsContact O-CB 3.3Å; L2665-Q2669 WeakPolarHBondContact O-CB 3.16Å; L2665-Q2669 WeakPolarHBondContact O-CG 3.28Å; L2665-Q2669 PolarHBondContact O-N 3.47Å |
| 2666 | I | 82.3 | Confident | 78.3 | Confident | 110 Ų | 110 | 67.6 Ų | 67.6 | 56% | 0.564 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61.1 | -47.7 | 178.7 | -69.2 | 168.1 | 0 | 0 | 0 | 110.4 | I2662 A2663 Q2669 A2670 | I2662-I2666 HydrophobicContact CG2-CD1 3.71Å; I2662-I2666 HydrophobicContact CG2-CG1 4.3Å; I2662-I2666 WeakPolarHBondContact O-CG1 3.44Å; I2662-I2666 PolarHBondContact O-N 3.35Å; A2663-I2666 PolarHBondContact O-N 3.08Å; I2666-Q2669 PolarHBondContact O-N 2.88Å; I2666-A2670 VanDerWaalsContact O-CB 3.23Å; I2666-A2670 WeakPolarHBondContact O-CB 3.44Å; I2666-A2670 PolarHBondContact O-N 3.48Å |
| 2667 | V | 82.1 | Confident | 78.4 | Confident | 14 Ų | 14 | 64.8 Ų | 64.8 | 9% | 0.085 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.5 | -41.2 | -178.3 | 176.8 | 0 | 0 | 0 | 0 | 111.4 | A2663 L2665 S2671 L2891 V2894 F2895 I2898 | A2663-V2667 WeakPolarHBondContact O-CG2 3.36Å; A2663-V2667 PolarHBondContact O-N 3.23Å; A2663-V2667 VanDerWaalsContact O-N 3.14Å; L2665-V2667 PolarHBondContact O-N 3.13Å; V2667-S2671 WeakPolarHBondContact O-CB 3.49Å; V2667-S2671 PolarHBondContact O-N 2.9Å; V2667-S2671 PolarHBondContact O-OG 3.33Å; V2667-L2891 WeakPolarHBondContact CG1-O 3.46Å; V2667-V2894 HydrophobicContact CG2-CG1 4.1Å; V2667-F2895 HydrophobicContact CG1-CB 3.8Å; V2667-F2895 HydrophobicContact CG1-CD2 4.35Å; V2667-I2898 HydrophobicContact CG2-CD1 4.17Å |
| 2668 | T | 79.1 | Confident | 78.6 | Confident | 28 Ų | 28 | 61.5 Ų | 61.5 | 17% | 0.172 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.4 | -41.3 | 178.4 | 50.8 | 0 | 0 | 0 | 0 | 112.3 | V2158 L2664 L2665 S2671 A2672 F2895 | V2158-T2668 HydrophobicContact CG1-CG2 4.21Å; V2158-T2668 HydrophobicContact CG2-CG2 4.4Å; L2664-T2668 WeakPolarHBondContact O-CB 3.42Å; L2664-T2668 VanDerWaalsContact O-CG2 3.24Å; L2664-T2668 WeakPolarHBondContact O-CG2 3.35Å; L2664-T2668 PolarHBondContact O-N 2.85Å; L2664-T2668 PolarHBondContact O-OG1 3.45Å; L2665-T2668 WeakPolarHBondContact CA-OG1 3.43Å; L2665-T2668 PolarHBondContact O-N 3.11Å; L2665-T2668 PolarHBondContact O-OG1 2.88Å; L2665-T2668 VanDerWaalsContact O-OG1 3.07Å; T2668-S2671 WeakPolarHBondContact CA-OG 3.36Å; T2668-S2671 PolarHBondContact O-N 2.94Å; T2668-S2671 PolarHBondContact O-OG 2.92Å; T2668-A2672 WeakPolarHBondContact O-CB 3.18Å; T2668-A2672 PolarHBondContact O-N 2.96Å; T2668-F2895 HydrophobicContact CG2-CD2 3.96Å; T2668-F2895 HydrophobicContact CG2-CE2 3.67Å |
| 2669 | Q | 81 | Confident | 78.6 | Confident | 104 Ų | 104 | 59.7 Ų | 59.7 | 49% | 0.486 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.7 | -42 | 176.1 | -70.2 | -66.9 | -13.1 | 0 | 0 | 112.5 | L2665 I2666 S2671 A2672 H2673 | L2665-Q2669 VanDerWaalsContact O-CB 3.3Å; L2665-Q2669 WeakPolarHBondContact O-CB 3.16Å; L2665-Q2669 WeakPolarHBondContact O-CG 3.28Å; L2665-Q2669 PolarHBondContact O-N 3.47Å; I2666-Q2669 PolarHBondContact O-N 2.88Å; Q2669-S2671 VanDerWaalsContact C-N 3.29Å; Q2669-S2671 PolarHBondContact O-N 2.94Å; Q2669-A2672 PolarHBondContact O-N 2.99Å; Q2669-H2673 PolarHBondContact O-CD2 3Å; Q2669-H2673 PolarHBondContact O-N 3.32Å; Q2669-H2673 VanDerWaalsContact O-N 3.08Å |
| 2670 | A | 78 | Confident | 78.8 | Confident | 36 Ų | 36 | 61.2 Ų | 61.2 | 30% | 0.298 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.7 | -39.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I2666 L2674 L2891 | I2666-A2670 VanDerWaalsContact O-CB 3.23Å; I2666-A2670 WeakPolarHBondContact O-CB 3.44Å; I2666-A2670 PolarHBondContact O-N 3.48Å; A2670-L2674 PolarHBondContact O-N 2.72Å; A2670-L2891 HydrophobicContact CB-CD1 4.09Å; A2670-L2891 HydrophobicContact CB-CD2 4.43Å |
| 2671 | S | 78.9 | Confident | 78.8 | Confident | 9 Ų | 9 | 67.9 Ų | 67.9 | 6% | 0.063 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.7 | -42.3 | 175.1 | 69.2 | 0 | 0 | 0 | 0 | 112.4 | F2151 V2667 T2668 Q2669 H2673 L2674 | F2151-S2671 VanDerWaalsContact O-O 3.09Å; V2667-S2671 WeakPolarHBondContact O-CB 3.49Å; V2667-S2671 PolarHBondContact O-N 2.9Å; V2667-S2671 PolarHBondContact O-OG 3.33Å; T2668-S2671 WeakPolarHBondContact CA-OG 3.36Å; T2668-S2671 PolarHBondContact O-N 2.94Å; T2668-S2671 PolarHBondContact O-OG 2.92Å; Q2669-S2671 VanDerWaalsContact C-N 3.29Å; Q2669-S2671 PolarHBondContact O-N 2.94Å; S2671-H2673 VanDerWaalsContact C-N 3.3Å; S2671-H2673 PolarHBondContact O-N 2.79Å; S2671-L2674 WeakPolarHBondContact O-CB 3.37Å; S2671-L2674 PolarHBondContact O-N 2.92Å |
| 2672 | A | 74.9 | Confident | 78.8 | Confident | 68 Ų | 68 | 67.6 Ų | 67.6 | 56% | 0.562 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -68.5 | -26.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | T2668 Q2669 | T2668-A2672 WeakPolarHBondContact O-CB 3.18Å; T2668-A2672 PolarHBondContact O-N 2.96Å; Q2669-A2672 PolarHBondContact O-N 2.99Å |
| 2673 | H | 77.9 | Confident | 78.6 | Confident | 80 Ų | 80 | 64.5 Ų | 64.5 | 37% | 0.37 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -100.3 | 2.1 | -178.6 | -72.5 | -55.9 | 0 | 0 | 0 | 114.5 | Q2669 S2671 D2675 R2676 L2677 | Q2669-H2673 PolarHBondContact O-CD2 3Å; Q2669-H2673 PolarHBondContact O-N 3.32Å; Q2669-H2673 VanDerWaalsContact O-N 3.08Å; S2671-H2673 VanDerWaalsContact C-N 3.3Å; S2671-H2673 PolarHBondContact O-N 2.79Å; H2673-D2675 VanDerWaalsContact C-N 3.31Å; H2673-D2675 PolarHBondContact O-N 3.37Å; H2673-R2676 PolarHBondContact O-N 3.41Å; H2673-R2676 VanDerWaalsContact O-N 3.14Å; H2673-L2677 HydrophobicContact CB-CD1 4.23Å; H2673-L2677 WeakPolarHBondContact O-CG 3.41Å; H2673-L2677 PolarHBondContact O-N 3.12Å |
| 2674 | L | 78.9 | Confident | 78.3 | Confident | 6 Ų | 6 | 64.3 Ų | 64.3 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -56.3 | -44.2 | -177.4 | -150.1 | 82.2 | 0 | 0 | 0 | 112.6 | A2670 S2671 R2676 L2677 L2678 R2884 L2887 L2891 | A2670-L2674 PolarHBondContact O-N 2.72Å; S2671-L2674 WeakPolarHBondContact O-CB 3.37Å; S2671-L2674 PolarHBondContact O-N 2.92Å; L2674-R2676 VanDerWaalsContact C-N 3.29Å; L2674-R2676 PolarHBondContact O-N 3.1Å; L2674-L2677 PolarHBondContact O-N 3.2Å; L2674-L2678 HydrophobicContact CG-CD1 4.42Å; L2674-L2678 PolarHBondContact O-N 3.22Å; L2674-R2884 WeakPolarHBondContact CD2-O 3.48Å; L2674-L2887 HydrophobicContact CD1-CB 4.29Å; L2674-L2887 HydrophobicContact CD1-CD2 3.59Å; L2674-L2887 HydrophobicContact CD1-CG 3.85Å; L2674-L2887 HydrophobicContact CD2-CB 4.22Å; L2674-L2887 HydrophobicContact CG-CD2 4.47Å; L2674-L2891 HydrophobicContact CD1-CD1 3.75Å |
| 2675 | D | 74 | Confident | 78.1 | Confident | 72 Ų | 72 | 73.4 Ų | 73.4 | 39% | 0.385 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.6 | -30.8 | -178.7 | -73.9 | -22.5 | 0 | 0 | 0 | 113.2 | F2151 H2673 | F2151-D2675 VanDerWaalsContact CD2-OD1 3.3Å; F2151-D2675 WeakPolarHBondContact CD2-OD1 3.38Å; H2673-D2675 VanDerWaalsContact C-N 3.31Å; H2673-D2675 PolarHBondContact O-N 3.37Å |
| 2676 | R | 75.6 | Confident | 77.9 | Confident | 187 Ų | 187 | 74.5 Ų | 74.5 | 71% | 0.706 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -80.9 | -41.1 | 176.7 | -76.4 | -174 | 178.7 | 164 | 0.9 | 111.8 | H2673 L2674 S2679 | H2673-R2676 PolarHBondContact O-N 3.41Å; H2673-R2676 VanDerWaalsContact O-N 3.14Å; L2674-R2676 VanDerWaalsContact C-N 3.29Å; L2674-R2676 PolarHBondContact O-N 3.1Å; R2676-S2679 WeakPolarHBondContact O-CB 3.35Å; R2676-S2679 PolarHBondContact O-N 3.49Å; R2676-S2679 PolarHBondContact O-OG 2.91Å |
| 2677 | L | 74.6 | Confident | 77.5 | Confident | 93 Ų | 93 | 70.1 Ų | 70.1 | 49% | 0.487 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.8 | -41.3 | -177.2 | -75.1 | 167.7 | 0 | 0 | 0 | 111.8 | H2673 L2674 S2679 M2682 | H2673-L2677 HydrophobicContact CB-CD1 4.23Å; H2673-L2677 WeakPolarHBondContact O-CG 3.41Å; H2673-L2677 PolarHBondContact O-N 3.12Å; L2674-L2677 PolarHBondContact O-N 3.2Å; L2677-S2679 VanDerWaalsContact C-N 3.35Å; L2677-S2679 PolarHBondContact O-N 2.97Å; L2677-M2682 HydrophobicContact CB-CE 4.38Å; L2677-M2682 HydrophobicContact CD2-CE 3.67Å; L2677-M2682 VanDerWaalsContact O-CE 3.28Å; L2677-M2682 WeakPolarHBondContact O-CE 3.44Å |
| 2678 | L | 78.4 | Confident | 77.4 | Confident | 35 Ų | 35 | 72.6 Ų | 72.6 | 18% | 0.183 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 40.5 | 176.7 | -79.8 | 151.6 | 0 | 0 | 0 | 111.2 | L2674 L2880 R2884 L2887 | L2674-L2678 HydrophobicContact CG-CD1 4.42Å; L2674-L2678 PolarHBondContact O-N 3.22Å; L2678-L2880 HydrophobicContact CB-CD2 4.13Å; L2678-L2880 HydrophobicContact CD2-CD2 3.91Å; L2678-L2880 VanDerWaalsContact O-CD2 3.29Å; L2678-L2880 WeakPolarHBondContact O-CD2 3.4Å; L2678-R2884 HydrophobicContact CB-CG 3.78Å; L2678-R2884 HydrophobicContact CD1-CG 4.2Å; L2678-R2884 PolarHBondContact O-NE 3.31Å; L2678-R2884 PolarHBondContact O-NH2 3.45Å; L2678-L2887 HydrophobicContact CD1-CD2 4Å |
| 2679 | S | 78 | Confident | 77.3 | Confident | 28 Ų | 28 | 71.3 Ų | 71.3 | 20% | 0.196 | 35% | 0.352 | C | S | . | . | trans | -93.5 | 150.5 | 176.6 | 70.4 | 0 | 0 | 0 | 0 | 112 | R2676 L2677 E2681 M2682 L2683 | R2676-S2679 WeakPolarHBondContact O-CB 3.35Å; R2676-S2679 PolarHBondContact O-N 3.49Å; R2676-S2679 PolarHBondContact O-OG 2.91Å; L2677-S2679 VanDerWaalsContact C-N 3.35Å; L2677-S2679 PolarHBondContact O-N 2.97Å; S2679-E2681 PolarHBondContact O-N 3.42Å; S2679-M2682 PolarHBondContact O-N 3.37Å; S2679-M2682 WeakPolarHBondContact OG-CB 3.23Å; S2679-M2682 PolarHBondContact OG-N 2.98Å; S2679-L2683 VanDerWaalsContact O-CD1 3.26Å; S2679-L2683 WeakPolarHBondContact O-CD1 3.48Å; S2679-L2683 PolarHBondContact O-N 3.15Å | ||
| 2680 | Q | 79.2 | Confident | 76.9 | Confident | 92 Ų | 92 | 67.2 Ų | 67.2 | 43% | 0.43 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -55.1 | -40.5 | 176.7 | -178 | -172.8 | -35.8 | 0 | 0 | 111.6 | M2682 L2683 D2684 Y2689 V2873 | Q2680-M2682 VanDerWaalsContact C-N 3.33Å; Q2680-M2682 PolarHBondContact O-N 2.78Å; Q2680-L2683 PolarHBondContact O-N 3.18Å; Q2680-D2684 WeakPolarHBondContact O-CB 3.48Å; Q2680-D2684 PolarHBondContact O-N 3.49Å; Q2680-Y2689 HydrophobicContact CG-CE2 4.28Å; Q2680-V2873 HydrophobicContact CG-CG1 3.81Å |
| 2681 | E | 75.5 | Confident | 76.9 | Confident | 163 Ų | 163 | 71 Ų | 71 | 76% | 0.762 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -64.6 | -36.8 | 177.9 | -66 | -178.4 | 172.6 | 0 | 0 | 112.4 | S2679 Y2685 | S2679-E2681 PolarHBondContact O-N 3.42Å; E2681-Y2685 WeakPolarHBondContact O-CB 3.42Å; E2681-Y2685 PolarHBondContact O-N 2.85Å |
| 2682 | M | 78.8 | Confident | 76.7 | Confident | 63 Ų | 63 | 72.4 Ų | 72.4 | 31% | 0.31 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -75.3 | -39 | -179.8 | -165.8 | -83.5 | -139.3 | 0 | 0 | 111.6 | L2677 S2679 Q2680 D2684 Y2685 I2686 | L2677-M2682 HydrophobicContact CB-CE 4.38Å; L2677-M2682 HydrophobicContact CD2-CE 3.67Å; L2677-M2682 VanDerWaalsContact O-CE 3.28Å; L2677-M2682 WeakPolarHBondContact O-CE 3.44Å; S2679-M2682 PolarHBondContact O-N 3.37Å; S2679-M2682 WeakPolarHBondContact OG-CB 3.23Å; S2679-M2682 PolarHBondContact OG-N 2.98Å; Q2680-M2682 VanDerWaalsContact C-N 3.33Å; Q2680-M2682 PolarHBondContact O-N 2.78Å; M2682-D2684 VanDerWaalsContact C-N 3.35Å; M2682-Y2685 PolarHBondContact O-N 3.17Å; M2682-I2686 HydrophobicContact CE-CD1 4.1Å; M2682-I2686 WeakPolarHBondContact O-CB 3.26Å; M2682-I2686 PolarHBondContact O-N 3.35Å; M2682-I2686 HydrophobicContact SD-CD1 3.66Å |
| 2683 | L | 78.5 | Confident | 76.9 | Confident | 21 Ų | 21 | 69.1 Ų | 69.1 | 11% | 0.11 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.5 | -34.9 | 172.5 | -84.8 | 96.5 | 0 | 0 | 0 | 112.8 | S2679 Q2680 G2687 Y2688 Y2689 L2880 | S2679-L2683 VanDerWaalsContact O-CD1 3.26Å; S2679-L2683 WeakPolarHBondContact O-CD1 3.48Å; S2679-L2683 PolarHBondContact O-N 3.15Å; Q2680-L2683 PolarHBondContact O-N 3.18Å; L2683-G2687 PolarHBondContact O-N 3.36Å; L2683-Y2688 HydrophobicContact CD2-CD1 3.53Å; L2683-Y2688 HydrophobicContact CD2-CE1 4.04Å; L2683-Y2688 HydrophobicContact CD2-CG 3.83Å; L2683-Y2688 WeakPolarHBondContact O-CB 3.26Å; L2683-Y2688 PolarHBondContact O-N 2.89Å; L2683-Y2689 HydrophobicContact CB-CD2 4.39Å; L2683-Y2689 HydrophobicContact CB-CE2 3.77Å; L2683-L2880 HydrophobicContact CD1-CD1 4.36Å; L2683-L2880 HydrophobicContact CD1-CD2 3.59Å; L2683-L2880 HydrophobicContact CD2-CD2 4.49Å |
| 2684 | D | 76.2 | Confident | 77 | Confident | 27 Ų | 27 | 68 Ų | 68 | 14% | 0.144 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.6 | -44.7 | 171.7 | -165.4 | 25.2 | 0 | 0 | 0 | 110.7 | R2099 Q2680 M2682 I2686 G2687 Y2689 | R2099-D2684 IonicContact CZ-OD2 2.83Å; R2099-D2684 IonicContact NH2-OD2 2.93Å; R2099-D2684 PolarHBondContact NH2-OD2 2.89Å; Q2680-D2684 WeakPolarHBondContact O-CB 3.48Å; Q2680-D2684 PolarHBondContact O-N 3.49Å; M2682-D2684 VanDerWaalsContact C-N 3.35Å; D2684-I2686 VanDerWaalsContact C-N 3.31Å; D2684-I2686 PolarHBondContact O-N 2.95Å; D2684-G2687 PolarHBondContact O-N 3.45Å; D2684-Y2689 HydrophobicContact CB-CD2 4.03Å; D2684-Y2689 HydrophobicContact CB-CE2 4.41Å |
| 2685 | Y | 75.2 | Confident | 77.1 | Confident | 212 Ų | 212 | 70.6 Ų | 70.6 | 83% | 0.831 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63.2 | -34.5 | 176.5 | -170.4 | -92.5 | 0 | 0 | 0 | 113.5 | E2681 M2682 G2687 | E2681-Y2685 WeakPolarHBondContact O-CB 3.42Å; E2681-Y2685 PolarHBondContact O-N 2.85Å; M2682-Y2685 PolarHBondContact O-N 3.17Å; Y2685-G2687 PolarHBondContact O-N 3.06Å |
| 2686 | I | 79.1 | Confident | 77.5 | Confident | 117 Ų | 117 | 67.3 Ų | 67.3 | 60% | 0.6 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -10.5 | 176 | -115.3 | 152.8 | 0 | 0 | 0 | 112.6 | M2682 D2684 | M2682-I2686 HydrophobicContact CE-CD1 4.1Å; M2682-I2686 WeakPolarHBondContact O-CB 3.26Å; M2682-I2686 PolarHBondContact O-N 3.35Å; M2682-I2686 HydrophobicContact SD-CD1 3.66Å; D2684-I2686 VanDerWaalsContact C-N 3.31Å; D2684-I2686 PolarHBondContact O-N 2.95Å |
| 2687 | G | 74.5 | Confident | 77.8 | Confident | 17 Ų | 17 | 59 Ų | 59 | 18% | 0.175 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | 19.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L2683 D2684 Y2685 D2690 N2691 | L2683-G2687 PolarHBondContact O-N 3.36Å; D2684-G2687 PolarHBondContact O-N 3.45Å; Y2685-G2687 PolarHBondContact O-N 3.06Å; G2687-D2690 PolarHBondContact O-N 3.02Å; G2687-N2691 PolarHBondContact O-N 3.5Å; G2687-N2691 VanDerWaalsContact O-N 3.11Å; G2687-N2691 PolarHBondContact O-ND2 3.34Å |
| 2688 | Y | 79.1 | Confident | 78 | Confident | 67 Ų | 67 | 58.5 Ų | 58.5 | 26% | 0.263 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.8 | -46.4 | -179.8 | 177.6 | -100.5 | 0 | 0 | 0 | 111.9 | L2683 D2690 N2691 L2692 | L2683-Y2688 HydrophobicContact CD2-CD1 3.53Å; L2683-Y2688 HydrophobicContact CD2-CE1 4.04Å; L2683-Y2688 HydrophobicContact CD2-CG 3.83Å; L2683-Y2688 WeakPolarHBondContact O-CB 3.26Å; L2683-Y2688 PolarHBondContact O-N 2.89Å; Y2688-D2690 VanDerWaalsContact C-N 3.33Å; Y2688-D2690 PolarHBondContact O-N 2.81Å; Y2688-N2691 PolarHBondContact O-N 2.95Å; Y2688-L2692 HydrophobicContact CD1-CD1 3.83Å; Y2688-L2692 HydrophobicContact CE1-CD1 3.32Å; Y2688-L2692 HydrophobicContact CE2-CD1 4.41Å; Y2688-L2692 PolarHBondContact O-N 2.98Å |
| 2689 | Y | 77.3 | Confident | 78.3 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 0% | 0.004 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68 | -33.4 | 177.4 | -62.6 | -65.7 | 0 | 0 | 0 | 112.5 | Q2680 L2683 D2684 L2692 V2693 V2872 V2873 S2876 L2880 | Q2680-Y2689 HydrophobicContact CG-CE2 4.28Å; L2683-Y2689 HydrophobicContact CB-CD2 4.39Å; L2683-Y2689 HydrophobicContact CB-CE2 3.77Å; D2684-Y2689 HydrophobicContact CB-CD2 4.03Å; D2684-Y2689 HydrophobicContact CB-CE2 4.41Å; Y2689-L2692 PolarHBondContact O-N 2.88Å; Y2689-V2693 WeakPolarHBondContact O-CG2 3.17Å; Y2689-V2693 PolarHBondContact O-N 3.27Å; Y2689-V2872 HydrophobicContact CD1-CG1 4.2Å; Y2689-V2873 HydrophobicContact CD1-CG2 4.02Å; Y2689-V2873 HydrophobicContact CD2-CG2 4.27Å; Y2689-V2873 HydrophobicContact CE1-CG2 4.14Å; Y2689-V2873 HydrophobicContact CE2-CG2 4.4Å; Y2689-V2873 HydrophobicContact CG-CG2 4.08Å; Y2689-S2876 VanDerWaalsContact CE1-OG 3.28Å; Y2689-S2876 WeakPolarHBondContact CE1-OG 3.3Å; Y2689-S2876 PolarHBondContact OH-OG 3.28Å; Y2689-L2880 WeakPolarHBondContact OH-CD1 3.4Å |
| 2690 | D | 73.1 | Confident | 78.5 | Confident | 17 Ų | 17 | 57.1 Ų | 57.1 | 9% | 0.091 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 174.8 | -82.9 | -30.7 | 0 | 0 | 0 | 111.1 | L2093 P2094 S2095 G2687 Y2688 L2692 V2693 L2694 | L2093-D2690 HydrophobicContact CD2-CB 4.5Å; P2094-D2690 WeakPolarHBondContact CD-OD1 3.28Å; S2095-D2690 WeakPolarHBondContact CA-OD1 3.48Å; S2095-D2690 WeakPolarHBondContact CB-OD1 3.44Å; S2095-D2690 PolarHBondContact N-OD1 2.96Å; S2095-D2690 VanDerWaalsContact OG-CG 3.23Å; S2095-D2690 PolarHBondContact OG-OD1 3.47Å; S2095-D2690 PolarHBondContact OG-OD2 2.99Å; G2687-D2690 PolarHBondContact O-N 3.02Å; Y2688-D2690 VanDerWaalsContact C-N 3.33Å; Y2688-D2690 PolarHBondContact O-N 2.81Å; D2690-L2692 VanDerWaalsContact C-N 3.28Å; D2690-L2692 PolarHBondContact O-N 3.48Å; D2690-V2693 PolarHBondContact O-N 3.47Å; D2690-L2694 WeakPolarHBondContact O-CB 3.29Å; D2690-L2694 PolarHBondContact O-N 2.96Å |
| 2691 | N | 77.5 | Confident | 78.6 | Confident | 117 Ų | 117 | 54.2 Ų | 54.2 | 63% | 0.626 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -61.9 | -33 | 176.7 | -78.2 | -33.6 | 0 | 0 | 0 | 113.6 | G2687 Y2688 P2695 | G2687-N2691 PolarHBondContact O-N 3.5Å; G2687-N2691 VanDerWaalsContact O-N 3.11Å; G2687-N2691 PolarHBondContact O-ND2 3.34Å; Y2688-N2691 PolarHBondContact O-N 2.95Å; N2691-P2695 WeakPolarHBondContact O-CD 3.46Å |
| 2692 | L | 75 | Confident | 79 | Confident | 37 Ų | 37 | 51.7 Ų | 51.7 | 19% | 0.194 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -73.7 | -36.6 | 177.2 | -81.4 | 160.3 | 0 | 0 | 0 | 113 | W2267 Y2688 Y2689 D2690 | W2267-L2692 HydrophobicContact CE3-CD1 4.45Å; W2267-L2692 HydrophobicContact CE3-CD2 4.32Å; Y2688-L2692 HydrophobicContact CD1-CD1 3.83Å; Y2688-L2692 HydrophobicContact CE1-CD1 3.32Å; Y2688-L2692 HydrophobicContact CE2-CD1 4.41Å; Y2688-L2692 PolarHBondContact O-N 2.98Å; Y2689-L2692 PolarHBondContact O-N 2.88Å; D2690-L2692 VanDerWaalsContact C-N 3.28Å; D2690-L2692 PolarHBondContact O-N 3.48Å |
| 2693 | V | 79.1 | Confident | 79.3 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -88.4 | -26.1 | -176.2 | 177.9 | 0 | 0 | 0 | 0 | 112.2 | P2094 Y2689 D2690 P2695 V2696 H2697 Y2868 F2869 V2872 | P2094-V2693 HydrophobicContact CB-CB 4.05Å; P2094-V2693 HydrophobicContact CB-CG1 3.61Å; P2094-V2693 HydrophobicContact CG-CB 4.24Å; P2094-V2693 HydrophobicContact CG-CG1 4.09Å; Y2689-V2693 WeakPolarHBondContact O-CG2 3.17Å; Y2689-V2693 PolarHBondContact O-N 3.27Å; D2690-V2693 PolarHBondContact O-N 3.47Å; V2693-P2695 VanDerWaalsContact C-CD 3.5Å; V2693-V2696 PolarHBondContact O-N 3.49Å; V2693-H2697 PolarHBondContact O-N 3.43Å; V2693-H2697 VanDerWaalsContact O-N 3.08Å; V2693-Y2868 HydrophobicContact CB-CD1 4.47Å; V2693-Y2868 HydrophobicContact CB-CE1 4.29Å; V2693-Y2868 HydrophobicContact CG1-CD1 3.74Å; V2693-Y2868 HydrophobicContact CG1-CE1 3.93Å; V2693-Y2868 HydrophobicContact CG2-CD1 4.09Å; V2693-Y2868 HydrophobicContact CG2-CE1 3.93Å; V2693-F2869 HydrophobicContact CG2-CD2 4.27Å; V2693-V2872 HydrophobicContact CG2-CG2 4.36Å |
| 2694 | L | 80 | Confident | 79.5 | Confident | 55 Ų | 55 | 48.1 Ų | 48.1 | 29% | 0.288 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -53.6 | -44.8 | -174.6 | -175.9 | 67.3 | 0 | 0 | 0 | 114.1 | P2094 D2690 V2696 H2697 L2698 | P2094-L2694 HydrophobicContact CG-CB 4.3Å; P2094-L2694 HydrophobicContact CG-CD1 4.23Å; D2690-L2694 WeakPolarHBondContact O-CB 3.29Å; D2690-L2694 PolarHBondContact O-N 2.96Å; L2694-V2696 VanDerWaalsContact C-N 3.35Å; L2694-V2696 PolarHBondContact O-N 3.11Å; L2694-H2697 PolarHBondContact O-N 3.14Å; L2694-L2698 HydrophobicContact CD1-CD1 4.02Å; L2694-L2698 HydrophobicContact CD1-CG 4.48Å; L2694-L2698 HydrophobicContact CG-CD1 4.04Å; L2694-L2698 WeakPolarHBondContact O-CB 3.48Å; L2694-L2698 PolarHBondContact O-N 3.19Å |
| 2695 | P | 80.5 | Confident | 79.7 | Confident | 62 Ų | 62 | 49.9 Ų | 49.9 | 40% | 0.403 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.7 | -41.3 | -179.4 | -23.1 | 33.6 | 0 | 0 | 0 | 113 | N2691 V2693 H2699 | N2691-P2695 WeakPolarHBondContact O-CD 3.46Å; V2693-P2695 VanDerWaalsContact C-CD 3.5Å; P2695-H2699 WeakPolarHBondContact O-CB 3.47Å; P2695-H2699 PolarHBondContact O-N 3.07Å |
| 2696 | V | 81.9 | Confident | 80.2 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.012 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.9 | -42.3 | 179 | -177.3 | 0 | 0 | 0 | 0 | 110.7 | Q2285 L2288 M2292 V2693 L2694 H2699 A2700 Y2863 Y2868 | Q2285-V2696 HydrophobicContact CB-CG2 3.98Å; Q2285-V2696 HydrophobicContact CG-CG2 3.51Å; L2288-V2696 HydrophobicContact CB-CG1 4.5Å; L2288-V2696 HydrophobicContact CD1-CG1 4.34Å; M2292-V2696 HydrophobicContact CE-CG1 3.8Å; V2693-V2696 PolarHBondContact O-N 3.49Å; L2694-V2696 VanDerWaalsContact C-N 3.35Å; L2694-V2696 PolarHBondContact O-N 3.11Å; V2696-H2699 PolarHBondContact O-N 3.41Å; V2696-A2700 PolarHBondContact O-N 3.06Å; V2696-Y2863 HydrophobicContact CG1-CD2 4.13Å; V2696-Y2863 HydrophobicContact CG1-CE2 3.57Å; V2696-Y2868 HydrophobicContact CB-CE1 4.39Å; V2696-Y2868 HydrophobicContact CG2-CE1 4.38Å |
| 2697 | H | 81.7 | Confident | 80.5 | Confident | 13 Ų | 13 | 39 Ų | 39 | 6% | 0.06 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.5 | -44.5 | 179.4 | -166.5 | 68.1 | 0 | 0 | 0 | 111.9 | P2094 V2693 L2694 R2701 Y2863 | P2094-H2697 HydrophobicContact CG-CB 4.19Å; V2693-H2697 PolarHBondContact O-N 3.43Å; V2693-H2697 VanDerWaalsContact O-N 3.08Å; L2694-H2697 PolarHBondContact O-N 3.14Å; H2697-R2701 PolarHBondContact O-N 2.69Å; H2697-R2701 VanDerWaalsContact O-N 3.11Å; H2697-Y2863 WeakPolarHBondContact CA-OH 3.29Å; H2697-Y2863 WeakPolarHBondContact CB-OH 3.36Å; H2697-Y2863 AromaticContact ND1-CE1 3.51Å; H2697-Y2863 AromaticContact ND1-CZ 3.87Å; H2697-Y2863 PolarHBondContact ND1-OH 3.25Å |
| 2698 | L | 79.7 | Confident | 80.8 | Confident | 83 Ų | 83 | 39.2 Ų | 39.2 | 44% | 0.435 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.2 | -42.4 | 175.1 | -105 | 162.2 | 0 | 0 | 0 | 111.6 | L2694 R2701 L2702 | L2694-L2698 HydrophobicContact CD1-CD1 4.02Å; L2694-L2698 HydrophobicContact CD1-CG 4.48Å; L2694-L2698 HydrophobicContact CG-CD1 4.04Å; L2694-L2698 WeakPolarHBondContact O-CB 3.48Å; L2694-L2698 PolarHBondContact O-N 3.19Å; L2698-R2701 PolarHBondContact O-N 3.11Å; L2698-L2702 WeakPolarHBondContact O-CB 3.26Å; L2698-L2702 PolarHBondContact O-N 2.82Å |
| 2699 | H | 84.8 | Confident | 80.8 | Confident | 32 Ų | 32 | 44.9 Ų | 44.9 | 15% | 0.148 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.2 | -45.4 | 179.2 | -159.2 | 71.1 | 0 | 0 | 0 | 112 | D2293 P2695 V2696 R2701 L2702 V2703 | D2293-H2699 IonicContact OD1-CD2 3.31Å; D2293-H2699 IonicContact OD1-CE1 3.56Å; D2293-H2699 PolarHBondContact OD1-CE1 3.42Å; D2293-H2699 IonicContact OD1-NE2 2.83Å; D2293-H2699 PolarHBondContact OD1-NE2 3.34Å; D2293-H2699 IonicContact OD2-NE2 2.8Å; P2695-H2699 WeakPolarHBondContact O-CB 3.47Å; P2695-H2699 PolarHBondContact O-N 3.07Å; V2696-H2699 PolarHBondContact O-N 3.41Å; H2699-R2701 VanDerWaalsContact C-N 3.3Å; H2699-R2701 PolarHBondContact O-N 3.39Å; H2699-L2702 PolarHBondContact O-N 2.93Å; H2699-V2703 WeakPolarHBondContact O-CG2 3.28Å; H2699-V2703 PolarHBondContact O-N 3.41Å |
| 2700 | A | 82.8 | Confident | 81.2 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.6 | -42.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | M2292 V2696 N2704 Y2863 | M2292-A2700 HydrophobicContact CE-CB 4.31Å; M2292-A2700 WeakPolarHBondContact SD-CA 3.36Å; M2292-A2700 HydrophobicContact SD-CB 3.49Å; M2292-A2700 WeakPolarHBondContact SD-CB 3.47Å; M2292-A2700 PolarHBondContact SD-N 2.75Å; V2696-A2700 PolarHBondContact O-N 3.06Å; A2700-N2704 WeakPolarHBondContact O-CB 3.19Å; A2700-N2704 PolarHBondContact O-N 2.81Å; A2700-N2704 VanDerWaalsContact O-N 3.11Å; A2700-Y2863 HydrophobicContact CB-CD1 3.74Å; A2700-Y2863 HydrophobicContact CB-CE1 4.07Å; A2700-Y2863 HydrophobicContact CB-CG 4.21Å |
| 2701 | R | 79.5 | Confident | 81.6 | Confident | 31 Ų | 31 | 45 Ų | 45 | 12% | 0.117 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67 | -43.2 | 177.1 | -165.8 | 176.7 | -169.3 | 151.3 | 5.7 | 111.5 | Y2077 D2091 H2697 L2698 H2699 V2703 N2704 V2705 | Y2077-R2701 HydrophobicContact CD1-CG 4.14Å; Y2077-R2701 HydrophobicContact CE1-CG 4.27Å; D2091-R2701 PolarHBondContact O-NH1 2.82Å; H2697-R2701 PolarHBondContact O-N 2.69Å; H2697-R2701 VanDerWaalsContact O-N 3.11Å; L2698-R2701 PolarHBondContact O-N 3.11Å; H2699-R2701 VanDerWaalsContact C-N 3.3Å; H2699-R2701 PolarHBondContact O-N 3.39Å; R2701-V2703 PolarHBondContact O-N 2.92Å; R2701-N2704 PolarHBondContact O-N 3.17Å; R2701-V2705 HydrophobicContact CG-CG2 4.39Å; R2701-V2705 WeakPolarHBondContact O-CB 3.45Å; R2701-V2705 VanDerWaalsContact O-CG2 3.24Å; R2701-V2705 WeakPolarHBondContact O-CG2 3.3Å; R2701-V2705 PolarHBondContact O-N 3.46Å |
| 2702 | L | 84.7 | Confident | 81.6 | Confident | 111 Ų | 111 | 44 Ų | 44 | 58% | 0.581 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -60.2 | -45.8 | 178.8 | -168.1 | 81.3 | 0 | 0 | 0 | 110.9 | L2698 H2699 V2705 H2706 | L2698-L2702 WeakPolarHBondContact O-CB 3.26Å; L2698-L2702 PolarHBondContact O-N 2.82Å; H2699-L2702 PolarHBondContact O-N 2.93Å; L2702-V2705 PolarHBondContact O-N 2.89Å; L2702-H2706 WeakPolarHBondContact O-CB 3.29Å; L2702-H2706 PolarHBondContact O-N 3.26Å |
| 2703 | V | 85.4 | Confident | 82 | Confident | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60 | -50.5 | 177 | 166.1 | 0 | 0 | 0 | 0 | 111.1 | M2292 L2296 H2699 R2701 V2705 H2706 V2707 | M2292-V2703 HydrophobicContact CB-CG2 4.21Å; L2296-V2703 HydrophobicContact CB-CG1 3.98Å; L2296-V2703 HydrophobicContact CB-CG2 4.41Å; L2296-V2703 HydrophobicContact CD1-CG1 4.26Å; L2296-V2703 HydrophobicContact CD2-CG2 4.31Å; H2699-V2703 WeakPolarHBondContact O-CG2 3.28Å; H2699-V2703 PolarHBondContact O-N 3.41Å; R2701-V2703 PolarHBondContact O-N 2.92Å; V2703-V2705 PolarHBondContact O-N 2.9Å; V2703-H2706 PolarHBondContact O-N 2.73Å; V2703-H2706 VanDerWaalsContact O-N 3.14Å; V2703-V2707 WeakPolarHBondContact O-CG2 3.37Å; V2703-V2707 PolarHBondContact O-N 3.4Å |
| 2704 | N | 82.7 | Confident | 82.2 | Confident | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.027 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.4 | -38.9 | 179.1 | -79.5 | -21.6 | 0 | 0 | 0 | 112.8 | A2700 R2701 T2708 L2859 F2860 | A2700-N2704 WeakPolarHBondContact O-CB 3.19Å; A2700-N2704 PolarHBondContact O-N 2.81Å; A2700-N2704 VanDerWaalsContact O-N 3.11Å; R2701-N2704 PolarHBondContact O-N 3.17Å; N2704-T2708 WeakPolarHBondContact O-CB 3.47Å; N2704-T2708 VanDerWaalsContact O-CG2 3.29Å; N2704-T2708 WeakPolarHBondContact O-CG2 3.4Å; N2704-T2708 PolarHBondContact O-N 2.94Å; N2704-T2708 VanDerWaalsContact O-N 3.13Å; N2704-T2708 PolarHBondContact O-OG1 3.4Å; N2704-L2859 HydrophobicContact CB-CD2 4.02Å; N2704-F2860 PolarHBondContact OD1-N 2.73Å |
| 2705 | V | 80.2 | Confident | 82.3 | Confident | 65 Ų | 65 | 51.4 Ų | 51.4 | 39% | 0.394 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66 | -39.4 | 173.6 | 170.1 | 0 | 0 | 0 | 0 | 111 | R2701 L2702 V2703 T2708 R2709 | R2701-V2705 HydrophobicContact CG-CG2 4.39Å; R2701-V2705 WeakPolarHBondContact O-CB 3.45Å; R2701-V2705 VanDerWaalsContact O-CG2 3.24Å; R2701-V2705 WeakPolarHBondContact O-CG2 3.3Å; R2701-V2705 PolarHBondContact O-N 3.46Å; L2702-V2705 PolarHBondContact O-N 2.89Å; V2703-V2705 PolarHBondContact O-N 2.9Å; V2705-T2708 WeakPolarHBondContact CA-OG1 3.37Å; V2705-T2708 PolarHBondContact O-N 2.84Å; V2705-T2708 PolarHBondContact O-OG1 3.47Å; V2705-R2709 VanDerWaalsContact O-CB 3.23Å; V2705-R2709 WeakPolarHBondContact O-CB 3.45Å; V2705-R2709 PolarHBondContact O-N 2.84Å |
| 2706 | H | 85.9 | Confident | 82.1 | Confident | 100 Ų | 100 | 53.7 Ų | 53.7 | 46% | 0.463 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.1 | -47.4 | 179.6 | -159 | 80.3 | 0 | 0 | 0 | 111.7 | L2296 L2702 V2703 T2708 R2709 S2710 | L2296-H2706 HydrophobicContact CD1-CB 4.03Å; L2702-H2706 WeakPolarHBondContact O-CB 3.29Å; L2702-H2706 PolarHBondContact O-N 3.26Å; V2703-H2706 PolarHBondContact O-N 2.73Å; V2703-H2706 VanDerWaalsContact O-N 3.14Å; H2706-T2708 VanDerWaalsContact C-N 3.31Å; H2706-T2708 PolarHBondContact O-N 3.4Å; H2706-R2709 PolarHBondContact O-N 3.34Å; H2706-S2710 WeakPolarHBondContact O-CB 3.45Å; H2706-S2710 PolarHBondContact O-N 2.84Å; H2706-S2710 PolarHBondContact O-OG 3.21Å |
| 2707 | V | 84.8 | Confident | 82.1 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.6 | -38.6 | 177.6 | 171.3 | 0 | 0 | 0 | 0 | 112.3 | L2296 E2299 Q2303 V2703 S2710 A2711 P2857 | L2296-V2707 HydrophobicContact CD1-CG2 3.59Å; E2299-V2707 HydrophobicContact CB-CG1 4.49Å; E2299-V2707 HydrophobicContact CB-CG2 4.36Å; E2299-V2707 HydrophobicContact CG-CG1 3.47Å; E2299-V2707 VanDerWaalsContact CG-CG1 3.47Å; E2299-V2707 HydrophobicContact CG-CG2 4.17Å; Q2303-V2707 PolarHBondContact NE2-O 3.4Å; Q2303-V2707 VanDerWaalsContact NE2-O 3.11Å; V2703-V2707 WeakPolarHBondContact O-CG2 3.37Å; V2703-V2707 PolarHBondContact O-N 3.4Å; V2707-S2710 WeakPolarHBondContact CA-OG 3.43Å; V2707-S2710 PolarHBondContact O-OG 2.99Å; V2707-A2711 PolarHBondContact O-N 3.5Å; V2707-P2857 HydrophobicContact CG1-CB 3.73Å |
| 2708 | T | 80.6 | Confident | 82.2 | Confident | 22 Ų | 22 | 64.2 Ų | 64.2 | 14% | 0.135 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -73.8 | -39.1 | 178.3 | 50.7 | 0 | 0 | 0 | 0 | 111.9 | N2704 V2705 H2706 Q2712 P2857 L2859 | N2704-T2708 WeakPolarHBondContact O-CB 3.47Å; N2704-T2708 VanDerWaalsContact O-CG2 3.29Å; N2704-T2708 WeakPolarHBondContact O-CG2 3.4Å; N2704-T2708 PolarHBondContact O-N 2.94Å; N2704-T2708 VanDerWaalsContact O-N 3.13Å; N2704-T2708 PolarHBondContact O-OG1 3.4Å; V2705-T2708 WeakPolarHBondContact CA-OG1 3.37Å; V2705-T2708 PolarHBondContact O-N 2.84Å; V2705-T2708 PolarHBondContact O-OG1 3.47Å; H2706-T2708 VanDerWaalsContact C-N 3.31Å; H2706-T2708 PolarHBondContact O-N 3.4Å; T2708-Q2712 WeakPolarHBondContact O-CB 3.41Å; T2708-Q2712 PolarHBondContact O-N 3.37Å; T2708-P2857 HydrophobicContact CG2-CB 4.11Å; T2708-P2857 HydrophobicContact CG2-CG 3.89Å; T2708-L2859 HydrophobicContact CG2-CD2 4.27Å |
| 2709 | R | 79.5 | Confident | 82.4 | Confident | 186 Ų | 186 | 61.1 Ų | 61.1 | 70% | 0.702 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -71.2 | -34.8 | 178.6 | -164 | 170.5 | -171.7 | 147.1 | 1.3 | 112.4 | V2705 H2706 R2713 | V2705-R2709 VanDerWaalsContact O-CB 3.23Å; V2705-R2709 WeakPolarHBondContact O-CB 3.45Å; V2705-R2709 PolarHBondContact O-N 2.84Å; H2706-R2709 PolarHBondContact O-N 3.34Å; R2709-R2713 WeakPolarHBondContact O-CB 3.43Å; R2709-R2713 PolarHBondContact O-N 2.88Å |
| 2710 | S | 86.4 | Confident | 82 | Confident | 20 Ų | 20 | 62.7 Ų | 62.7 | 14% | 0.14 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.2 | -47.8 | 172.8 | 60.8 | 0 | 0 | 0 | 0 | 111.4 | L2300 Q2303 H2706 V2707 Q2712 R2713 L2714 | L2300-S2710 WeakPolarHBondContact CD2-OG 3.27Å; Q2303-S2710 PolarHBondContact OE1-OG 2.89Å; H2706-S2710 WeakPolarHBondContact O-CB 3.45Å; H2706-S2710 PolarHBondContact O-N 2.84Å; H2706-S2710 PolarHBondContact O-OG 3.21Å; V2707-S2710 WeakPolarHBondContact CA-OG 3.43Å; V2707-S2710 PolarHBondContact O-OG 2.99Å; S2710-Q2712 VanDerWaalsContact C-N 3.33Å; S2710-Q2712 PolarHBondContact O-N 2.97Å; S2710-R2713 PolarHBondContact O-N 3.06Å; S2710-L2714 WeakPolarHBondContact O-CG 3.41Å; S2710-L2714 PolarHBondContact O-N 2.87Å |
| 2711 | A | 80.9 | Confident | 82.1 | Confident | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.008 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V2707 R2713 L2714 N2715 I2855 P2857 | V2707-A2711 PolarHBondContact O-N 3.5Å; A2711-R2713 PolarHBondContact O-N 3.32Å; A2711-L2714 PolarHBondContact O-N 3.36Å; A2711-N2715 WeakPolarHBondContact O-CB 3.37Å; A2711-N2715 PolarHBondContact O-N 2.94Å; A2711-N2715 PolarHBondContact O-ND2 3.42Å; A2711-I2855 HydrophobicContact CB-CG2 4.34Å; A2711-P2857 HydrophobicContact CB-CB 3.93Å; A2711-P2857 HydrophobicContact CB-CG 4.1Å |
| 2712 | Q | 78.5 | Confident | 82.4 | Confident | 95 Ų | 95 | 64 Ų | 64 | 44% | 0.444 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 177 | -172.3 | 174.3 | -9.2 | 0 | 0 | 112.1 | T2708 S2710 N2715 Q2716 | T2708-Q2712 WeakPolarHBondContact O-CB 3.41Å; T2708-Q2712 PolarHBondContact O-N 3.37Å; S2710-Q2712 VanDerWaalsContact C-N 3.33Å; S2710-Q2712 PolarHBondContact O-N 2.97Å; Q2712-N2715 PolarHBondContact O-N 2.94Å; Q2712-Q2716 HydrophobicContact CG-CG 4.48Å; Q2712-Q2716 WeakPolarHBondContact O-CB 3.48Å; Q2712-Q2716 WeakPolarHBondContact O-CG 3.37Å; Q2712-Q2716 PolarHBondContact O-N 3.25Å |
| 2713 | R | 82.6 | Confident | 82.3 | Confident | 181 Ų | 181 | 64.1 Ų | 64.1 | 68% | 0.683 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62.2 | -46.4 | 175.5 | -176.6 | -175.7 | 176.5 | 177.8 | -1.5 | 111.4 | R2709 S2710 A2711 N2715 Q2716 Y2717 | R2709-R2713 WeakPolarHBondContact O-CB 3.43Å; R2709-R2713 PolarHBondContact O-N 2.88Å; S2710-R2713 PolarHBondContact O-N 3.06Å; A2711-R2713 PolarHBondContact O-N 3.32Å; R2713-N2715 VanDerWaalsContact C-N 3.34Å; R2713-N2715 PolarHBondContact O-N 3.42Å; R2713-Q2716 PolarHBondContact O-N 3.26Å; R2713-Y2717 HydrophobicContact CG-CD2 3.73Å; R2713-Y2717 HydrophobicContact CG-CE2 4.19Å; R2713-Y2717 WeakPolarHBondContact O-CB 3.4Å; R2713-Y2717 WeakPolarHBondContact O-CD2 3.4Å; R2713-Y2717 PolarHBondContact O-N 3.41Å |
| 2714 | L | 84.1 | Confident | 82.1 | Confident | 25 Ų | 25 | 66.5 Ų | 66.5 | 13% | 0.131 | 32% | 0.317 | C | S | . | . | I | π-helix | trans | -62.1 | -42.8 | 178.6 | -70.2 | 167.8 | 0 | 0 | 0 | 111.3 | Q2303 V2307 S2710 A2711 E2718 L2719 I2855 | Q2303-L2714 HydrophobicContact CB-CD1 3.82Å; V2307-L2714 HydrophobicContact CG2-CB 4.19Å; V2307-L2714 HydrophobicContact CG2-CD1 4.02Å; V2307-L2714 HydrophobicContact CG2-CD2 3.96Å; V2307-L2714 HydrophobicContact CG2-CG 4.28Å; S2710-L2714 WeakPolarHBondContact O-CG 3.41Å; S2710-L2714 PolarHBondContact O-N 2.87Å; A2711-L2714 PolarHBondContact O-N 3.36Å; L2714-E2718 HydrophobicContact CD2-CB 4.48Å; L2714-E2718 HydrophobicContact CD2-CG 3.88Å; L2714-E2718 WeakPolarHBondContact O-CB 3.23Å; L2714-E2718 PolarHBondContact O-N 3.29Å; L2714-L2719 PolarHBondContact O-N 3.38Å; L2714-I2855 HydrophobicContact CB-CD1 3.57Å; L2714-I2855 HydrophobicContact CD1-CD1 4.25Å |
| 2715 | N | 80.1 | Confident | 82.3 | Confident | 41 Ų | 41 | 69.6 Ų | 69.6 | 22% | 0.219 | 33% | 0.331 | C | S | . | . | I | π-helix | trans | -65.2 | -42.9 | 176.4 | -67.8 | -19.9 | 0 | 0 | 0 | 112.5 | A2711 Q2712 R2713 L2719 I2855 | A2711-N2715 WeakPolarHBondContact O-CB 3.37Å; A2711-N2715 PolarHBondContact O-N 2.94Å; A2711-N2715 PolarHBondContact O-ND2 3.42Å; Q2712-N2715 PolarHBondContact O-N 2.94Å; R2713-N2715 VanDerWaalsContact C-N 3.34Å; R2713-N2715 PolarHBondContact O-N 3.42Å; N2715-L2719 HydrophobicContact CB-CD1 4.41Å; N2715-L2719 WeakPolarHBondContact OD1-CD1 3.26Å; N2715-I2855 PolarHBondContact ND2-N 3.09Å; N2715-I2855 PolarHBondContact ND2-O 3.04Å; N2715-I2855 VanDerWaalsContact OD1-CB 3.3Å; N2715-I2855 WeakPolarHBondContact OD1-CB 3.44Å; N2715-I2855 WeakPolarHBondContact OD1-CD1 3.37Å; N2715-I2855 WeakPolarHBondContact OD1-CG1 3.32Å; N2715-I2855 PolarHBondContact OD1-N 3.17Å |
| 2716 | Q | 78 | Confident | 82.5 | Confident | 110 Ų | 110 | 67.7 Ų | 67.7 | 51% | 0.514 | 32% | 0.319 | S | S | . | . | I | π-helix | trans | -77.1 | -28.6 | -175.4 | -81 | -175.8 | -31.1 | 0 | 0 | 114.6 | Q2712 R2713 T2720 | Q2712-Q2716 HydrophobicContact CG-CG 4.48Å; Q2712-Q2716 WeakPolarHBondContact O-CB 3.48Å; Q2712-Q2716 WeakPolarHBondContact O-CG 3.37Å; Q2712-Q2716 PolarHBondContact O-N 3.25Å; R2713-Q2716 PolarHBondContact O-N 3.26Å; Q2716-T2720 VanDerWaalsContact C-OG1 3.24Å; Q2716-T2720 PolarHBondContact O-OG1 2.86Å |
| 2717 | Y | 80.5 | Confident | 82.3 | Confident | 157 Ų | 157 | 64.2 Ų | 64.2 | 62% | 0.616 | 31% | 0.306 | S | S | * | . | I | π-helix | trans | -113 | -50.3 | -174.6 | -65.9 | -79.4 | 0 | 0 | 0 | 113 | R2713 T2720 S2721 | R2713-Y2717 HydrophobicContact CG-CD2 3.73Å; R2713-Y2717 HydrophobicContact CG-CE2 4.19Å; R2713-Y2717 WeakPolarHBondContact O-CB 3.4Å; R2713-Y2717 WeakPolarHBondContact O-CD2 3.4Å; R2713-Y2717 PolarHBondContact O-N 3.41Å; Y2717-T2720 PolarHBondContact O-OG1 2.87Å; Y2717-S2721 WeakPolarHBondContact O-CB 3.36Å; Y2717-S2721 PolarHBondContact O-N 3.19Å; Y2717-S2721 VanDerWaalsContact O-N 3.14Å |
| 2718 | E | 84.8 | Confident | 82.2 | Confident | 80 Ų | 80 | 70 Ų | 70 | 37% | 0.374 | 33% | 0.328 | S | S | . | . | I | π-helix | trans | -78.1 | -47.6 | -174.3 | -67.6 | -68.3 | 152.9 | 0 | 0 | 111.7 | V2307 R2311 L2714 S2721 L2722 | V2307-E2718 HydrophobicContact CG1-CB 4.18Å; R2311-E2718 IonicContact NH1-OE2 3.91Å; L2714-E2718 HydrophobicContact CD2-CB 4.48Å; L2714-E2718 HydrophobicContact CD2-CG 3.88Å; L2714-E2718 WeakPolarHBondContact O-CB 3.23Å; L2714-E2718 PolarHBondContact O-N 3.29Å; E2718-S2721 PolarHBondContact O-N 3.43Å; E2718-L2722 WeakPolarHBondContact O-CB 3.45Å; E2718-L2722 PolarHBondContact O-N 3.19Å |
| 2719 | L | 83.3 | Confident | 82.4 | Confident | 17 Ų | 17 | 73.4 Ų | 73.4 | 9% | 0.089 | 34% | 0.338 | C | S | . | . | I | π-helix | trans | -67.6 | -43.5 | -179.8 | -90.7 | 130.4 | 0 | 0 | 0 | 112.5 | L2310 L2714 N2715 S2721 L2722 E2723 L2852 I2855 | L2310-L2719 HydrophobicContact CD1-CD2 4.16Å; L2714-L2719 PolarHBondContact O-N 3.38Å; N2715-L2719 HydrophobicContact CB-CD1 4.41Å; N2715-L2719 WeakPolarHBondContact OD1-CD1 3.26Å; L2719-S2721 VanDerWaalsContact C-N 3.33Å; L2719-L2722 PolarHBondContact O-N 3.45Å; L2719-E2723 WeakPolarHBondContact O-CB 3.47Å; L2719-E2723 PolarHBondContact O-N 3.49Å; L2719-L2852 HydrophobicContact CD2-CB 4.1Å; L2719-L2852 HydrophobicContact CD2-CD2 4Å; L2719-I2855 HydrophobicContact CD1-CD1 3.42Å; L2719-I2855 VanDerWaalsContact CD1-CD1 3.42Å; L2719-I2855 HydrophobicContact CD1-CG1 3.89Å |
| 2720 | T | 76.4 | Confident | 82.6 | Confident | 65 Ų | 65 | 66.3 Ų | 66.3 | 40% | 0.399 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65 | -37.4 | 175.7 | 52 | 0 | 0 | 0 | 0 | 112.1 | Q2716 Y2717 S2724 | Q2716-T2720 VanDerWaalsContact C-OG1 3.24Å; Q2716-T2720 PolarHBondContact O-OG1 2.86Å; Y2717-T2720 PolarHBondContact O-OG1 2.87Å; T2720-S2724 WeakPolarHBondContact O-CB 3.43Å; T2720-S2724 PolarHBondContact O-N 3.35Å; T2720-S2724 PolarHBondContact O-OG 2.82Å |
| 2721 | S | 84.5 | Confident | 82.4 | Confident | 53 Ų | 53 | 70.4 Ų | 70.4 | 37% | 0.371 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64 | -48.2 | 173.5 | -179.3 | 0 | 0 | 0 | 0 | 110.7 | Y2717 E2718 L2719 E2723 S2724 E2725 | Y2717-S2721 WeakPolarHBondContact O-CB 3.36Å; Y2717-S2721 PolarHBondContact O-N 3.19Å; Y2717-S2721 VanDerWaalsContact O-N 3.14Å; E2718-S2721 PolarHBondContact O-N 3.43Å; L2719-S2721 VanDerWaalsContact C-N 3.33Å; S2721-E2723 PolarHBondContact O-N 2.84Å; S2721-S2724 PolarHBondContact O-N 2.92Å; S2721-S2724 VanDerWaalsContact O-N 3.14Å; S2721-S2724 PolarHBondContact O-OG 3.02Å; S2721-E2725 WeakPolarHBondContact O-CB 3.2Å; S2721-E2725 PolarHBondContact O-N 2.97Å |
| 2722 | L | 86.3 | Confident | 82.6 | Confident | 8 Ų | 8 | 73.9 Ų | 73.9 | 4% | 0.042 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.8 | -44.7 | 177.1 | -176 | 66 | 0 | 0 | 0 | 111.9 | R2311 C2314 E2718 L2719 S2724 E2725 V2726 L2852 | R2311-L2722 HydrophobicContact CB-CD1 4.45Å; R2311-L2722 HydrophobicContact CB-CD2 4.31Å; R2311-L2722 HydrophobicContact CG-CD1 4.03Å; C2314-L2722 HydrophobicContact CB-CD1 4.5Å; C2314-L2722 HydrophobicContact CB-CD2 4.37Å; E2718-L2722 WeakPolarHBondContact O-CB 3.45Å; E2718-L2722 PolarHBondContact O-N 3.19Å; L2719-L2722 PolarHBondContact O-N 3.45Å; L2722-S2724 PolarHBondContact O-N 3.36Å; L2722-E2725 PolarHBondContact O-N 2.82Å; L2722-V2726 HydrophobicContact CD1-CG2 4.29Å; L2722-V2726 HydrophobicContact CG-CG2 4.45Å; L2722-V2726 WeakPolarHBondContact O-CB 3.49Å; L2722-V2726 VanDerWaalsContact O-CG2 3.29Å; L2722-V2726 WeakPolarHBondContact O-CG2 3.35Å; L2722-V2726 PolarHBondContact O-N 2.9Å; L2722-L2852 HydrophobicContact CD2-CD2 3.86Å; L2722-L2852 HydrophobicContact CG-CD2 4.27Å |
| 2723 | E | 83.1 | Confident | 82.9 | Confident | 113 Ų | 113 | 69.3 Ų | 69.3 | 53% | 0.528 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.3 | -47 | 174.4 | -173.9 | -166.9 | 163.6 | 0 | 0 | 111.4 | L2719 S2721 E2725 S2727 L2852 | L2719-E2723 WeakPolarHBondContact O-CB 3.47Å; L2719-E2723 PolarHBondContact O-N 3.49Å; S2721-E2723 PolarHBondContact O-N 2.84Å; E2723-E2725 VanDerWaalsContact C-N 3.31Å; E2723-E2725 PolarHBondContact O-N 2.84Å; E2723-S2727 VanDerWaalsContact O-CB 3.24Å; E2723-S2727 WeakPolarHBondContact O-CB 3.45Å; E2723-S2727 PolarHBondContact O-N 3.32Å; E2723-S2727 PolarHBondContact O-OG 2.93Å; E2723-L2852 HydrophobicContact CB-CD1 3.79Å; E2723-L2852 HydrophobicContact CG-CD1 3.82Å |
| 2724 | S | 81.7 | Confident | 82.9 | Confident | 53 Ų | 53 | 65.5 Ų | 65.5 | 37% | 0.371 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.1 | -36.6 | 178.9 | 77.6 | 0 | 0 | 0 | 0 | 112.3 | T2720 S2721 L2722 S2727 R2728 | T2720-S2724 WeakPolarHBondContact O-CB 3.43Å; T2720-S2724 PolarHBondContact O-N 3.35Å; T2720-S2724 PolarHBondContact O-OG 2.82Å; S2721-S2724 PolarHBondContact O-N 2.92Å; S2721-S2724 VanDerWaalsContact O-N 3.14Å; S2721-S2724 PolarHBondContact O-OG 3.02Å; L2722-S2724 PolarHBondContact O-N 3.36Å; S2724-S2727 WeakPolarHBondContact CA-OG 3.36Å; S2724-S2727 PolarHBondContact O-OG 2.67Å; S2724-S2727 VanDerWaalsContact O-OG 3.05Å; S2724-R2728 VanDerWaalsContact O-CB 3.3Å; S2724-R2728 WeakPolarHBondContact O-CB 3.22Å; S2724-R2728 PolarHBondContact O-N 3.24Å |
| 2725 | E | 85.7 | Confident | 83 | Confident | 70 Ų | 70 | 70.6 Ų | 70.6 | 33% | 0.327 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -71.3 | -48.4 | 178.7 | -179.5 | 155.8 | -151.5 | 0 | 0 | 111.6 | S2721 L2722 E2723 R2728 R2729 | S2721-E2725 WeakPolarHBondContact O-CB 3.2Å; S2721-E2725 PolarHBondContact O-N 2.97Å; L2722-E2725 PolarHBondContact O-N 2.82Å; E2723-E2725 VanDerWaalsContact C-N 3.31Å; E2723-E2725 PolarHBondContact O-N 2.84Å; E2725-R2728 PolarHBondContact O-N 2.91Å; E2725-R2729 WeakPolarHBondContact O-CG 3.07Å; E2725-R2729 PolarHBondContact O-N 3.35Å |
| 2726 | V | 84.6 | Confident | 83.4 | Confident | 24 Ų | 24 | 73.2 Ų | 73.2 | 15% | 0.145 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 177.7 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | C2314 V2318 L2722 R2728 R2729 L2730 | C2314-V2726 HydrophobicContact CB-CG2 4.08Å; V2318-V2726 HydrophobicContact CG2-CB 4.49Å; V2318-V2726 HydrophobicContact CG2-CG1 4.07Å; V2318-V2726 HydrophobicContact CG2-CG2 4.15Å; L2722-V2726 HydrophobicContact CD1-CG2 4.29Å; L2722-V2726 HydrophobicContact CG-CG2 4.45Å; L2722-V2726 WeakPolarHBondContact O-CB 3.49Å; L2722-V2726 VanDerWaalsContact O-CG2 3.29Å; L2722-V2726 WeakPolarHBondContact O-CG2 3.35Å; L2722-V2726 PolarHBondContact O-N 2.9Å; V2726-R2728 VanDerWaalsContact C-N 3.34Å; V2726-R2728 PolarHBondContact O-N 3.04Å; V2726-R2729 PolarHBondContact O-N 2.05Å; V2726-L2730 WeakPolarHBondContact O-CB 3.39Å; V2726-L2730 PolarHBondContact O-N 3.49Å |
| 2727 | S | 82.1 | Confident | 83.8 | Confident | 28 Ų | 28 | 68.1 Ų | 68.1 | 20% | 0.196 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.8 | -36.3 | 177.9 | 59.6 | 0 | 0 | 0 | 0 | 112.6 | E2723 S2724 R2731 | E2723-S2727 VanDerWaalsContact O-CB 3.24Å; E2723-S2727 WeakPolarHBondContact O-CB 3.45Å; E2723-S2727 PolarHBondContact O-N 3.32Å; E2723-S2727 PolarHBondContact O-OG 2.93Å; S2724-S2727 WeakPolarHBondContact CA-OG 3.36Å; S2724-S2727 PolarHBondContact O-OG 2.67Å; S2724-S2727 VanDerWaalsContact O-OG 3.05Å; S2727-R2731 WeakPolarHBondContact O-CG 3.46Å; S2727-R2731 PolarHBondContact O-N 3.47Å |
| 2728 | R | 82.7 | Confident | 84.1 | Confident | 121 Ų | 121 | 64.3 Ų | 64.3 | 46% | 0.457 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.1 | -49.8 | 172 | -178.4 | -176.6 | 67.3 | 147.8 | -3.5 | 111.2 | S2724 E2725 V2726 L2730 R2731 E2732 | S2724-R2728 VanDerWaalsContact O-CB 3.3Å; S2724-R2728 WeakPolarHBondContact O-CB 3.22Å; S2724-R2728 PolarHBondContact O-N 3.24Å; E2725-R2728 PolarHBondContact O-N 2.91Å; V2726-R2728 VanDerWaalsContact C-N 3.34Å; V2726-R2728 PolarHBondContact O-N 3.04Å; R2728-L2730 VanDerWaalsContact C-N 3.29Å; R2728-L2730 PolarHBondContact O-N 3.44Å; R2728-R2731 PolarHBondContact O-N 3.5Å; R2728-R2731 VanDerWaalsContact O-N 3.14Å; R2728-E2732 HydrophobicContact CG-CG 4.48Å; R2728-E2732 WeakPolarHBondContact CG-OE1 3.46Å; R2728-E2732 IonicContact NE-OE1 3.95Å; R2728-E2732 WeakPolarHBondContact O-CG 3.38Å; R2728-E2732 PolarHBondContact O-N 2.93Å |
| 2729 | R | 85 | Confident | 84.3 | Confident | 93 Ų | 93 | 65.5 Ų | 65.5 | 35% | 0.351 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.2 | -41.2 | 179.4 | -67.7 | -63.6 | -169.1 | 163.4 | 7.4 | 111.8 | V2318 E2725 V2726 E2732 T2733 | V2318-R2729 HydrophobicContact CG1-CB 4.18Å; V2318-R2729 HydrophobicContact CG1-CG 4.39Å; E2725-R2729 WeakPolarHBondContact O-CG 3.07Å; E2725-R2729 PolarHBondContact O-N 3.35Å; V2726-R2729 PolarHBondContact O-N 2.05Å; R2729-E2732 IonicContact NH1-OE2 3.55Å; R2729-E2732 PolarHBondContact O-N 2.83Å; R2729-T2733 WeakPolarHBondContact O-CG2 3.48Å; R2729-T2733 PolarHBondContact O-N 2.94Å; R2729-T2733 PolarHBondContact O-OG1 3.29Å |
| 2730 | L | 83.5 | Confident | 84.6 | Confident | 37 Ų | 37 | 68.7 Ų | 68.7 | 19% | 0.194 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 175.4 | 178.6 | 67.4 | 0 | 0 | 0 | 112.6 | M2321 V2726 R2728 T2733 Q2734 I2847 | M2321-L2730 HydrophobicContact CE-CB 3.97Å; M2321-L2730 HydrophobicContact CE-CD1 3.57Å; M2321-L2730 HydrophobicContact CE-CG 4.38Å; M2321-L2730 HydrophobicContact SD-CD1 3.77Å; V2726-L2730 WeakPolarHBondContact O-CB 3.39Å; V2726-L2730 PolarHBondContact O-N 3.49Å; R2728-L2730 VanDerWaalsContact C-N 3.29Å; R2728-L2730 PolarHBondContact O-N 3.44Å; L2730-T2733 WeakPolarHBondContact CA-OG1 3.13Å; L2730-T2733 PolarHBondContact O-N 2.91Å; L2730-T2733 PolarHBondContact O-OG1 2.8Å; L2730-Q2734 WeakPolarHBondContact O-CB 3.4Å; L2730-Q2734 PolarHBondContact O-N 3.24Å; L2730-I2847 HydrophobicContact CD1-CD1 3.95Å; L2730-I2847 HydrophobicContact CD1-CG1 3.79Å; L2730-I2847 HydrophobicContact CD1-CG2 4.06Å; L2730-I2847 HydrophobicContact CD2-CD1 3.84Å; L2730-I2847 HydrophobicContact CD2-CG1 4.47Å; L2730-I2847 HydrophobicContact CD2-CG2 4.26Å; L2730-I2847 HydrophobicContact CG-CD1 4.48Å |
| 2731 | R | 81 | Confident | 85.1 | Confident | 106 Ų | 106 | 65.8 Ų | 65.8 | 40% | 0.4 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 176.2 | -72.1 | -175.6 | -163.9 | 131.6 | 9.8 | 111.7 | G1869 H1870 S2727 R2728 F2735 | G1869-R2731 VanDerWaalsContact CA-NH2 3.34Å; H1870-R2731 PolarHBondContact CD2-NH1 3.32Å; H1870-R2731 PolarHBondContact NE2-NH1 3.42Å; S2727-R2731 WeakPolarHBondContact O-CG 3.46Å; S2727-R2731 PolarHBondContact O-N 3.47Å; R2728-R2731 PolarHBondContact O-N 3.5Å; R2728-R2731 VanDerWaalsContact O-N 3.14Å; R2731-F2735 WeakPolarHBondContact O-CB 3.44Å; R2731-F2735 PolarHBondContact O-N 3.26Å |
| 2732 | E | 86.3 | Confident | 85.3 | Confident | 74 Ų | 74 | 66.7 Ų | 66.7 | 35% | 0.346 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.8 | -45.4 | 177 | -72.9 | 171.2 | -176.6 | 0 | 0 | 111.2 | R2728 R2729 F2735 L2736 | R2728-E2732 HydrophobicContact CG-CG 4.48Å; R2728-E2732 WeakPolarHBondContact CG-OE1 3.46Å; R2728-E2732 IonicContact NE-OE1 3.95Å; R2728-E2732 WeakPolarHBondContact O-CG 3.38Å; R2728-E2732 PolarHBondContact O-N 2.93Å; R2729-E2732 IonicContact NH1-OE2 3.55Å; R2729-E2732 PolarHBondContact O-N 2.83Å; E2732-F2735 PolarHBondContact O-N 3.42Å; E2732-L2736 WeakPolarHBondContact O-CB 3.44Å; E2732-L2736 VanDerWaalsContact O-CG 3.28Å; E2732-L2736 WeakPolarHBondContact O-CG 3.28Å; E2732-L2736 PolarHBondContact O-N 3.06Å |
| 2733 | T | 85.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.7 | -45.2 | 178.2 | 53 | 0 | 0 | 0 | 0 | 112.2 | M2321 F2322 M2325 R2729 L2730 F2735 L2736 L2737 | M2321-T2733 HydrophobicContact SD-CG2 3.82Å; M2321-T2733 PolarHBondContact SD-OG1 2.99Å; F2322-T2733 HydrophobicContact CD1-CG2 3.74Å; F2322-T2733 HydrophobicContact CD2-CG2 4.43Å; F2322-T2733 HydrophobicContact CE1-CG2 3.27Å; F2322-T2733 HydrophobicContact CE2-CG2 4.02Å; F2322-T2733 HydrophobicContact CG-CG2 4.28Å; F2322-T2733 HydrophobicContact CZ-CG2 3.42Å; F2322-T2733 VanDerWaalsContact CZ-CG2 3.42Å; M2325-T2733 HydrophobicContact CE-CG2 4.45Å; M2325-T2733 HydrophobicContact SD-CG2 3.8Å; R2729-T2733 WeakPolarHBondContact O-CG2 3.48Å; R2729-T2733 PolarHBondContact O-N 2.94Å; R2729-T2733 PolarHBondContact O-OG1 3.29Å; L2730-T2733 WeakPolarHBondContact CA-OG1 3.13Å; L2730-T2733 PolarHBondContact O-N 2.91Å; L2730-T2733 PolarHBondContact O-OG1 2.8Å; T2733-F2735 VanDerWaalsContact C-N 3.33Å; T2733-F2735 PolarHBondContact O-N 2.77Å; T2733-L2736 PolarHBondContact O-N 3.49Å; T2733-L2737 WeakPolarHBondContact O-CB 3.33Å; T2733-L2737 PolarHBondContact O-N 3.05Å |
| 2734 | Q | 83 | Confident | 85.7 | Confident | 100 Ų | 100 | 67.5 Ų | 67.5 | 47% | 0.467 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 177.9 | -168.7 | 174.5 | 2.5 | 0 | 0 | 111.5 | L2730 L2737 H2738 | L2730-Q2734 WeakPolarHBondContact O-CB 3.4Å; L2730-Q2734 PolarHBondContact O-N 3.24Å; Q2734-L2737 PolarHBondContact O-N 2.83Å; Q2734-H2738 VanDerWaalsContact O-CB 3.29Å; Q2734-H2738 WeakPolarHBondContact O-CB 3.31Å; Q2734-H2738 PolarHBondContact O-N 3.02Å |
| 2735 | F | 86 | Confident | 86 | Confident | 132 Ų | 132 | 65.9 Ų | 65.9 | 58% | 0.579 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.3 | -46.8 | 175.3 | 177.6 | -97.6 | 0 | 0 | 0 | 112 | R2731 E2732 T2733 L2737 H2738 Q2739 | R2731-F2735 WeakPolarHBondContact O-CB 3.44Å; R2731-F2735 PolarHBondContact O-N 3.26Å; E2732-F2735 PolarHBondContact O-N 3.42Å; T2733-F2735 VanDerWaalsContact C-N 3.33Å; T2733-F2735 PolarHBondContact O-N 2.77Å; F2735-L2737 PolarHBondContact O-N 3.14Å; F2735-H2738 PolarHBondContact O-N 3.29Å; F2735-Q2739 WeakPolarHBondContact O-CB 3.31Å; F2735-Q2739 PolarHBondContact O-N 3.46Å |
| 2736 | L | 87.4 | Confident | 86 | Confident | 97 Ų | 97 | 64.1 Ų | 64.1 | 51% | 0.508 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 177.5 | -75.2 | 171.4 | 0 | 0 | 0 | 111.5 | E2732 T2733 Q2739 W2740 | E2732-L2736 WeakPolarHBondContact O-CB 3.44Å; E2732-L2736 VanDerWaalsContact O-CG 3.28Å; E2732-L2736 WeakPolarHBondContact O-CG 3.28Å; E2732-L2736 PolarHBondContact O-N 3.06Å; T2733-L2736 PolarHBondContact O-N 3.49Å; L2736-Q2739 PolarHBondContact O-N 2.53Å; L2736-W2740 VanDerWaalsContact O-CB 3.23Å; L2736-W2740 WeakPolarHBondContact O-CB 3.21Å; L2736-W2740 PolarHBondContact O-N 3.18Å |
| 2737 | L | 86.5 | Confident | 86.1 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63 | -43.1 | 176.4 | -175.5 | 64.2 | 0 | 0 | 0 | 111.5 | L2329 I2332 T2733 Q2734 F2735 W2740 T2741 I2845 | L2329-L2737 HydrophobicContact CD2-CD1 3.82Å; L2329-L2737 HydrophobicContact CG-CD1 4.24Å; I2332-L2737 HydrophobicContact CD1-CD1 4.23Å; T2733-L2737 WeakPolarHBondContact O-CB 3.33Å; T2733-L2737 PolarHBondContact O-N 3.05Å; Q2734-L2737 PolarHBondContact O-N 2.83Å; F2735-L2737 PolarHBondContact O-N 3.14Å; L2737-W2740 PolarHBondContact O-N 3.09Å; L2737-T2741 HydrophobicContact CD1-CG2 4.17Å; L2737-T2741 HydrophobicContact CG-CG2 4.44Å; L2737-T2741 WeakPolarHBondContact O-CB 3.35Å; L2737-T2741 VanDerWaalsContact O-CG2 3.27Å; L2737-T2741 WeakPolarHBondContact O-CG2 3.43Å; L2737-T2741 PolarHBondContact O-N 2.71Å; L2737-T2741 PolarHBondContact O-OG1 3.43Å; L2737-I2845 HydrophobicContact CB-CD1 4.48Å; L2737-I2845 HydrophobicContact CD2-CD1 3.5Å; L2737-I2845 VanDerWaalsContact CD2-CD1 3.5Å; L2737-I2845 HydrophobicContact CD2-CG1 3.59Å |
| 2738 | H | 86.7 | Confident | 86.2 | Confident | 78 Ų | 78 | 64.5 Ų | 64.5 | 36% | 0.361 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.8 | -47.2 | 178.5 | -171.4 | 81.1 | 0 | 0 | 0 | 112 | Q2734 F2735 W2740 T2741 L2742 R2843 | Q2734-H2738 VanDerWaalsContact O-CB 3.29Å; Q2734-H2738 WeakPolarHBondContact O-CB 3.31Å; Q2734-H2738 PolarHBondContact O-N 3.02Å; F2735-H2738 PolarHBondContact O-N 3.29Å; H2738-W2740 PolarHBondContact O-N 2.66Å; H2738-T2741 PolarHBondContact O-OG1 3.09Å; H2738-L2742 VanDerWaalsContact NE2-CD1 3.26Å; H2738-L2742 WeakPolarHBondContact NE2-CD1 3.47Å; H2738-L2742 WeakPolarHBondContact O-CB 3.32Å; H2738-L2742 PolarHBondContact O-N 3.04Å; H2738-R2843 PolarHBondContact ND1-NE 3.36Å |
| 2739 | Q | 89.1 | Confident | 86.3 | Confident | 105 Ų | 105 | 63 Ų | 63 | 49% | 0.491 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.3 | -39.6 | -179.9 | -170.9 | 63.2 | 19.9 | 0 | 0 | 111.7 | F2735 L2736 W2743 | F2735-Q2739 WeakPolarHBondContact O-CB 3.31Å; F2735-Q2739 PolarHBondContact O-N 3.46Å; L2736-Q2739 PolarHBondContact O-N 2.53Å; Q2739-W2743 WeakPolarHBondContact O-CB 3.23Å; Q2739-W2743 PolarHBondContact O-N 2.92Å |
| 2740 | W | 89.2 | Confident | 86.3 | Confident | 83 Ų | 83 | 62.9 Ų | 62.9 | 31% | 0.314 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.2 | -45.8 | 178.8 | -169.4 | -100 | 0 | 0 | 0 | 112.3 | L2329 F2493 L2736 L2737 H2738 W2743 L2744 | L2329-W2740 HydrophobicContact CD2-CB 3.87Å; L2329-W2740 HydrophobicContact CD2-CD2 4.44Å; L2329-W2740 HydrophobicContact CD2-CG 3.6Å; F2493-W2740 AromaticContact CE2-CZ2 3.89Å; F2493-W2740 HydrophobicContact CE2-CZ2 3.89Å; F2493-W2740 AromaticContact CZ-CH2 3.93Å; F2493-W2740 HydrophobicContact CZ-CH2 3.93Å; F2493-W2740 AromaticContact CZ-CZ2 3.54Å; F2493-W2740 HydrophobicContact CZ-CZ2 3.54Å; L2736-W2740 VanDerWaalsContact O-CB 3.23Å; L2736-W2740 WeakPolarHBondContact O-CB 3.21Å; L2736-W2740 PolarHBondContact O-N 3.18Å; L2737-W2740 PolarHBondContact O-N 3.09Å; H2738-W2740 PolarHBondContact O-N 2.66Å; W2740-W2743 HydrophobicContact CH2-CZ3 4.19Å; W2740-W2743 HydrophobicContact CZ2-CZ3 4.3Å; W2740-W2743 PolarHBondContact O-N 3.3Å; W2740-L2744 WeakPolarHBondContact O-CG 3.08Å; W2740-L2744 PolarHBondContact O-N 3.37Å |
| 2741 | T | 88.3 | Confident | 86.5 | Confident | 5 Ų | 5 | 63.8 Ų | 63.8 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 176.8 | 51.4 | 0 | 0 | 0 | 0 | 112 | I2332 L2737 H2738 L2744 N2745 R2843 | I2332-T2741 HydrophobicContact CD1-CG2 3.89Å; I2332-T2741 HydrophobicContact CG2-CG2 4.45Å; L2737-T2741 HydrophobicContact CD1-CG2 4.17Å; L2737-T2741 HydrophobicContact CG-CG2 4.44Å; L2737-T2741 WeakPolarHBondContact O-CB 3.35Å; L2737-T2741 VanDerWaalsContact O-CG2 3.27Å; L2737-T2741 WeakPolarHBondContact O-CG2 3.43Å; L2737-T2741 PolarHBondContact O-N 2.71Å; L2737-T2741 PolarHBondContact O-OG1 3.43Å; H2738-T2741 PolarHBondContact O-OG1 3.09Å; T2741-L2744 PolarHBondContact O-N 3.43Å; T2741-N2745 WeakPolarHBondContact O-CB 3.48Å; T2741-N2745 PolarHBondContact O-N 2.85Å; T2741-R2843 HydrophobicContact CG2-CG 4.45Å |
| 2742 | L | 87.9 | Confident | 86.8 | Confident | 71 Ų | 71 | 59.4 Ų | 59.4 | 37% | 0.372 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.7 | -46.3 | 173.6 | -90.7 | 171.9 | 0 | 0 | 0 | 112.4 | H2738 N2745 G2746 | H2738-L2742 VanDerWaalsContact NE2-CD1 3.26Å; H2738-L2742 WeakPolarHBondContact NE2-CD1 3.47Å; H2738-L2742 WeakPolarHBondContact O-CB 3.32Å; H2738-L2742 PolarHBondContact O-N 3.04Å; L2742-N2745 PolarHBondContact O-N 2.7Å; L2742-G2746 PolarHBondContact O-N 2.88Å |
| 2743 | W | 90.9 | Very high | 86.8 | Confident | 134 Ų | 134 | 62.1 Ų | 62.1 | 51% | 0.508 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 179.3 | 176.4 | 75.8 | 0 | 0 | 0 | 111.7 | Q2739 W2740 N2745 G2746 V2747 | Q2739-W2743 WeakPolarHBondContact O-CB 3.23Å; Q2739-W2743 PolarHBondContact O-N 2.92Å; W2740-W2743 HydrophobicContact CH2-CZ3 4.19Å; W2740-W2743 HydrophobicContact CZ2-CZ3 4.3Å; W2740-W2743 PolarHBondContact O-N 3.3Å; W2743-N2745 PolarHBondContact O-N 2.99Å; W2743-G2746 PolarHBondContact O-N 3.45Å; W2743-V2747 HydrophobicContact CD2-CG2 4.46Å; W2743-V2747 HydrophobicContact CZ2-CG2 4.19Å; W2743-V2747 WeakPolarHBondContact O-CG2 3.44Å; W2743-V2747 PolarHBondContact O-N 3.39Å |
| 2744 | L | 87.8 | Confident | 86.9 | Confident | 5 Ų | 5 | 65 Ų | 65 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60 | -46.8 | 176.6 | -73.8 | 177.6 | 0 | 0 | 0 | 111.8 | I2332 W2740 T2741 V2747 E2748 | I2332-L2744 HydrophobicContact CG2-CD1 3.69Å; W2740-L2744 WeakPolarHBondContact O-CG 3.08Å; W2740-L2744 PolarHBondContact O-N 3.37Å; T2741-L2744 PolarHBondContact O-N 3.43Å; L2744-V2747 PolarHBondContact O-N 3.39Å; L2744-E2748 WeakPolarHBondContact O-CG 3.44Å; L2744-E2748 PolarHBondContact O-N 3.49Å |
| 2745 | N | 86.7 | Confident | 87.1 | Confident | 19 Ų | 19 | 60.3 Ų | 60.3 | 10% | 0.102 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 177.3 | -173 | 25.8 | 0 | 0 | 0 | 111.7 | T2741 L2742 W2743 V2747 E2748 Q2749 L2839 | T2741-N2745 WeakPolarHBondContact O-CB 3.48Å; T2741-N2745 PolarHBondContact O-N 2.85Å; L2742-N2745 PolarHBondContact O-N 2.7Å; W2743-N2745 PolarHBondContact O-N 2.99Å; N2745-V2747 VanDerWaalsContact C-N 3.32Å; N2745-V2747 PolarHBondContact O-N 3.25Å; N2745-E2748 PolarHBondContact O-N 2.65Å; N2745-Q2749 WeakPolarHBondContact O-CB 3.02Å; N2745-Q2749 PolarHBondContact O-N 2.96Å; N2745-L2839 HydrophobicContact CB-CD1 4.05Å; N2745-L2839 WeakPolarHBondContact ND2-CD1 3.45Å |
| 2746 | G | 86.8 | Confident | 87 | Confident | 33 Ų | 33 | 57.8 Ų | 57.8 | 34% | 0.34 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.5 | -41.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L2742 W2743 E2750 | L2742-G2746 PolarHBondContact O-N 2.88Å; W2743-G2746 PolarHBondContact O-N 3.45Å; G2746-E2750 WeakPolarHBondContact O-CG 3.08Å; G2746-E2750 PolarHBondContact O-N 3.03Å |
| 2747 | V | 86 | Confident | 87 | Confident | 41 Ų | 41 | 55.5 Ų | 55.5 | 25% | 0.248 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.7 | -42.3 | 175.7 | 175.8 | 0 | 0 | 0 | 0 | 111.6 | W2743 L2744 N2745 E2750 Q2751 | W2743-V2747 HydrophobicContact CD2-CG2 4.46Å; W2743-V2747 HydrophobicContact CZ2-CG2 4.19Å; W2743-V2747 WeakPolarHBondContact O-CG2 3.44Å; W2743-V2747 PolarHBondContact O-N 3.39Å; L2744-V2747 PolarHBondContact O-N 3.39Å; N2745-V2747 VanDerWaalsContact C-N 3.32Å; N2745-V2747 PolarHBondContact O-N 3.25Å; V2747-E2750 PolarHBondContact O-N 2.9Å; V2747-Q2751 WeakPolarHBondContact O-CG 3.48Å; V2747-Q2751 PolarHBondContact O-N 2.94Å |
| 2748 | E | 84.1 | Confident | 87 | Confident | 18 Ų | 18 | 59 Ų | 59 | 8% | 0.084 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61 | -45 | 175.7 | -73.6 | -175.3 | -178.3 | 0 | 0 | 111.6 | S2336 R2339 L2744 N2745 E2750 Q2751 C2752 | S2336-E2748 WeakPolarHBondContact CA-OE1 3.43Å; S2336-E2748 WeakPolarHBondContact CB-OE1 3.19Å; R2339-E2748 IonicContact NH1-OE2 3.46Å; L2744-E2748 WeakPolarHBondContact O-CG 3.44Å; L2744-E2748 PolarHBondContact O-N 3.49Å; N2745-E2748 PolarHBondContact O-N 2.65Å; E2748-E2750 PolarHBondContact O-N 3.43Å; E2748-Q2751 PolarHBondContact O-N 3.49Å; E2748-C2752 PolarHBondContact O-N 3.28Å; E2748-C2752 PolarHBondContact O-SG 3.39Å |
| 2749 | Q | 84.6 | Confident | 86.9 | Confident | 89 Ų | 89 | 58.2 Ų | 58.2 | 42% | 0.416 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.1 | -41.6 | -179.3 | -167 | 169.3 | 8.6 | 0 | 0 | 111.7 | N2745 C2752 R2753 | N2745-Q2749 WeakPolarHBondContact O-CB 3.02Å; N2745-Q2749 PolarHBondContact O-N 2.96Å; Q2749-C2752 PolarHBondContact O-N 2.94Å; Q2749-R2753 WeakPolarHBondContact O-CB 3.43Å; Q2749-R2753 PolarHBondContact O-N 3.3Å |
| 2750 | E | 86.2 | Confident | 86.7 | Confident | 91 Ų | 91 | 55.8 Ų | 55.8 | 43% | 0.425 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.5 | -38.7 | 175 | -76.9 | -57.4 | 143 | 0 | 0 | 112.6 | G2746 V2747 E2748 R2753 L2754 | G2746-E2750 WeakPolarHBondContact O-CG 3.08Å; G2746-E2750 PolarHBondContact O-N 3.03Å; V2747-E2750 PolarHBondContact O-N 2.9Å; E2748-E2750 PolarHBondContact O-N 3.43Å; E2750-R2753 PolarHBondContact O-N 3.12Å; E2750-R2753 IonicContact OE1-NE 3.48Å; E2750-R2753 IonicContact OE2-CZ 2.74Å; E2750-R2753 VanDerWaalsContact OE2-CZ 3.26Å; E2750-R2753 IonicContact OE2-NE 3.44Å; E2750-R2753 PolarHBondContact OE2-NE 3.05Å; E2750-R2753 IonicContact OE2-NH2 2.81Å; E2750-R2753 PolarHBondContact OE2-NH2 2.93Å; E2750-L2754 WeakPolarHBondContact O-CB 3.21Å; E2750-L2754 WeakPolarHBondContact O-CG 3.35Å; E2750-L2754 PolarHBondContact O-N 2.92Å |
| 2751 | Q | 86.3 | Confident | 86.5 | Confident | 57 Ų | 57 | 53.8 Ų | 53.8 | 27% | 0.266 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65 | -45.1 | 175.3 | -74.4 | -171.4 | -3.5 | 0 | 0 | 112.1 | R2340 V2343 V2747 E2748 L2754 L2755 | R2340-Q2751 VanDerWaalsContact CG-OE1 3.25Å; V2343-Q2751 HydrophobicContact CG1-CB 4.29Å; V2747-Q2751 WeakPolarHBondContact O-CG 3.48Å; V2747-Q2751 PolarHBondContact O-N 2.94Å; E2748-Q2751 PolarHBondContact O-N 3.49Å; Q2751-L2754 PolarHBondContact O-N 3.07Å; Q2751-L2755 WeakPolarHBondContact O-CB 3.49Å; Q2751-L2755 PolarHBondContact O-N 3.42Å |
| 2752 | C | 87.4 | Confident | 86.3 | Confident | 13 Ų | 13 | 53.5 Ų | 53.5 | 9% | 0.088 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 174.9 | -72.1 | 0 | 0 | 0 | 0 | 111.8 | E2748 Q2749 L2755 L2756 C2828 | E2748-C2752 PolarHBondContact O-N 3.28Å; E2748-C2752 PolarHBondContact O-SG 3.39Å; Q2749-C2752 PolarHBondContact O-N 2.94Å; C2752-L2755 PolarHBondContact O-N 2.98Å; C2752-L2756 WeakPolarHBondContact O-CB 3.27Å; C2752-L2756 VanDerWaalsContact O-CG 3.32Å; C2752-L2756 WeakPolarHBondContact O-CG 3.22Å; C2752-L2756 PolarHBondContact O-N 3.46Å; C2752-C2828 VanDerWaalsContact CA-SG 3.56Å; C2752-C2828 HydrophobicContact CB-CB 3.67Å; C2752-C2828 WeakPolarHBondContact CB-SG 3.46Å; C2752-C2828 WeakPolarHBondContact SG-CA 3.41Å; C2752-C2828 WeakPolarHBondContact SG-CB 3.36Å; C2752-C2828 CovalentContact SG-SG 2.05Å; C2752-C2828 PolarHBondContact SG-SG 3.17Å |
| 2753 | R | 87.2 | Confident | 86.1 | Confident | 132 Ų | 132 | 53.7 Ų | 53.7 | 50% | 0.498 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 177.8 | -171.3 | -171.2 | 69.2 | 76.3 | 3.1 | 111.4 | Q2749 E2750 A2757 | Q2749-R2753 WeakPolarHBondContact O-CB 3.43Å; Q2749-R2753 PolarHBondContact O-N 3.3Å; E2750-R2753 PolarHBondContact O-N 3.12Å; E2750-R2753 IonicContact OE1-NE 3.48Å; E2750-R2753 IonicContact OE2-CZ 2.74Å; E2750-R2753 VanDerWaalsContact OE2-CZ 3.26Å; E2750-R2753 IonicContact OE2-NE 3.44Å; E2750-R2753 PolarHBondContact OE2-NE 3.05Å; E2750-R2753 IonicContact OE2-NH2 2.81Å; E2750-R2753 PolarHBondContact OE2-NH2 2.93Å; R2753-A2757 VanDerWaalsContact O-CB 3.28Å; R2753-A2757 WeakPolarHBondContact O-CB 3.34Å; R2753-A2757 PolarHBondContact O-N 3.42Å |
| 2754 | L | 87.7 | Confident | 85.8 | Confident | 59 Ų | 59 | 51.5 Ų | 51.5 | 31% | 0.309 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.4 | -44.5 | 177.1 | -75.1 | 166.3 | 0 | 0 | 0 | 111.6 | L2345 E2750 Q2751 L2756 A2757 Y2758 | L2345-L2754 HydrophobicContact CD1-CB 3.75Å; E2750-L2754 WeakPolarHBondContact O-CB 3.21Å; E2750-L2754 WeakPolarHBondContact O-CG 3.35Å; E2750-L2754 PolarHBondContact O-N 2.92Å; Q2751-L2754 PolarHBondContact O-N 3.07Å; L2754-L2756 PolarHBondContact O-N 3.2Å; L2754-A2757 PolarHBondContact O-N 3.23Å; L2754-Y2758 HydrophobicContact CB-CE2 4.32Å; L2754-Y2758 HydrophobicContact CD2-CE2 4.38Å; L2754-Y2758 WeakPolarHBondContact O-CD2 3.38Å; L2754-Y2758 PolarHBondContact O-N 3.47Å |
| 2755 | L | 85.7 | Confident | 85.6 | Confident | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.9 | -47.3 | 177.5 | -179 | 119 | 0 | 0 | 0 | 111.6 | V2343 L2345 A2348 Q2751 C2752 A2757 Y2758 K2759 V2824 | V2343-L2755 HydrophobicContact CG1-CB 4.1Å; V2343-L2755 HydrophobicContact CG1-CD1 3.76Å; V2343-L2755 HydrophobicContact CG1-CG 4.42Å; L2345-L2755 HydrophobicContact CD1-CB 4.15Å; A2348-L2755 HydrophobicContact CB-CD1 4.23Å; Q2751-L2755 WeakPolarHBondContact O-CB 3.49Å; Q2751-L2755 PolarHBondContact O-N 3.42Å; C2752-L2755 PolarHBondContact O-N 2.98Å; L2755-A2757 PolarHBondContact O-N 2.88Å; L2755-Y2758 PolarHBondContact O-N 2.85Å; L2755-K2759 WeakPolarHBondContact O-CB 3.32Å; L2755-K2759 PolarHBondContact O-N 3.01Å; L2755-V2824 HydrophobicContact CD2-CB 4.16Å; L2755-V2824 HydrophobicContact CD2-CG1 4.05Å; L2755-V2824 HydrophobicContact CD2-CG2 3.82Å |
| 2756 | L | 85.4 | Confident | 85.2 | Confident | 80 Ų | 80 | 54.2 Ų | 54.2 | 42% | 0.419 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 177.1 | -70.2 | 173.5 | 0 | 0 | 0 | 111.9 | C2752 L2754 K2759 A2760 V2824 | C2752-L2756 WeakPolarHBondContact O-CB 3.27Å; C2752-L2756 VanDerWaalsContact O-CG 3.32Å; C2752-L2756 WeakPolarHBondContact O-CG 3.22Å; C2752-L2756 PolarHBondContact O-N 3.46Å; L2754-L2756 PolarHBondContact O-N 3.2Å; L2756-K2759 PolarHBondContact O-N 3.21Å; L2756-A2760 VanDerWaalsContact O-CB 3.31Å; L2756-A2760 WeakPolarHBondContact O-CB 3.07Å; L2756-A2760 PolarHBondContact O-N 3Å; L2756-V2824 HydrophobicContact CD2-CG1 4.02Å; L2756-V2824 HydrophobicContact CD2-CG2 4.27Å |
| 2757 | A | 86.8 | Confident | 84.9 | Confident | 49 Ų | 49 | 56 Ų | 56 | 41% | 0.405 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | R2753 L2754 L2755 K2759 A2760 A2761 | R2753-A2757 VanDerWaalsContact O-CB 3.28Å; R2753-A2757 WeakPolarHBondContact O-CB 3.34Å; R2753-A2757 PolarHBondContact O-N 3.42Å; L2754-A2757 PolarHBondContact O-N 3.23Å; L2755-A2757 PolarHBondContact O-N 2.88Å; A2757-K2759 VanDerWaalsContact C-N 3.33Å; A2757-K2759 PolarHBondContact O-N 3.15Å; A2757-A2760 PolarHBondContact O-N 3.43Å; A2757-A2761 VanDerWaalsContact O-CB 3.31Å; A2757-A2761 WeakPolarHBondContact O-CB 3.49Å; A2757-A2761 PolarHBondContact O-N 3.17Å |
| 2758 | Y | 86.7 | Confident | 84.8 | Confident | 75 Ų | 75 | 60 Ų | 60 | 29% | 0.294 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 176.2 | -74.9 | -58 | 0 | 0 | 0 | 111.8 | L2345 V2349 L2352 L2754 L2755 A2761 A2762 | L2345-Y2758 HydrophobicContact CD1-CD2 3.88Å; L2345-Y2758 HydrophobicContact CD1-CE2 4.06Å; L2345-Y2758 HydrophobicContact CG-CD2 4.46Å; L2345-Y2758 HydrophobicContact CG-CE2 4.33Å; V2349-Y2758 HydrophobicContact CG2-CD1 4.23Å; V2349-Y2758 HydrophobicContact CG2-CD2 3.89Å; V2349-Y2758 HydrophobicContact CG2-CE1 4.05Å; V2349-Y2758 HydrophobicContact CG2-CE2 3.69Å; V2349-Y2758 HydrophobicContact CG2-CG 4.17Å; L2352-Y2758 HydrophobicContact CD2-CD1 3.66Å; L2352-Y2758 HydrophobicContact CD2-CE1 4.2Å; L2754-Y2758 HydrophobicContact CB-CE2 4.32Å; L2754-Y2758 HydrophobicContact CD2-CE2 4.38Å; L2754-Y2758 WeakPolarHBondContact O-CD2 3.38Å; L2754-Y2758 PolarHBondContact O-N 3.47Å; L2755-Y2758 PolarHBondContact O-N 2.85Å; Y2758-A2761 PolarHBondContact O-N 3.25Å; Y2758-A2762 WeakPolarHBondContact O-CB 3.39Å; Y2758-A2762 PolarHBondContact O-N 3.43Å |
| 2759 | K | 84.4 | Confident | 84.4 | Confident | 62 Ų | 62 | 59.3 Ų | 59.3 | 27% | 0.27 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.9 | -45.8 | 177.8 | -169.4 | 166.4 | -173 | 156.5 | 0 | 112.2 | L2755 L2756 A2757 A2761 A2762 Q2763 A2822 V2824 | L2755-K2759 WeakPolarHBondContact O-CB 3.32Å; L2755-K2759 PolarHBondContact O-N 3.01Å; L2756-K2759 PolarHBondContact O-N 3.21Å; A2757-K2759 VanDerWaalsContact C-N 3.33Å; A2757-K2759 PolarHBondContact O-N 3.15Å; K2759-A2761 VanDerWaalsContact C-N 3.33Å; K2759-A2761 PolarHBondContact O-N 2.99Å; K2759-A2762 PolarHBondContact O-N 3.39Å; K2759-Q2763 PolarHBondContact O-N 2.96Å; K2759-A2822 PolarHBondContact NZ-O 2.94Å; K2759-V2824 HydrophobicContact CD-CG2 3.65Å |
| 2760 | A | 83.7 | Confident | 84 | Confident | 53 Ų | 53 | 57.4 Ų | 57.4 | 44% | 0.438 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L2756 A2757 Q2763 N2764 | L2756-A2760 VanDerWaalsContact O-CB 3.31Å; L2756-A2760 WeakPolarHBondContact O-CB 3.07Å; L2756-A2760 PolarHBondContact O-N 3Å; A2757-A2760 PolarHBondContact O-N 3.43Å; A2760-Q2763 PolarHBondContact O-N 3.32Å; A2760-N2764 WeakPolarHBondContact O-CB 3.27Å; A2760-N2764 PolarHBondContact O-N 2.91Å |
| 2761 | A | 86.9 | Confident | 83.6 | Confident | 41 Ų | 41 | 55.3 Ų | 55.3 | 34% | 0.339 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | L2352 A2757 Y2758 K2759 N2764 L2765 | L2352-A2761 HydrophobicContact CD1-CB 4.01Å; L2352-A2761 HydrophobicContact CD2-CB 4.41Å; A2757-A2761 VanDerWaalsContact O-CB 3.31Å; A2757-A2761 WeakPolarHBondContact O-CB 3.49Å; A2757-A2761 PolarHBondContact O-N 3.17Å; Y2758-A2761 PolarHBondContact O-N 3.25Å; K2759-A2761 VanDerWaalsContact C-N 3.33Å; K2759-A2761 PolarHBondContact O-N 2.99Å; A2761-N2764 PolarHBondContact O-N 3.48Å; A2761-L2765 PolarHBondContact O-N 2.98Å |
| 2762 | A | 83.7 | Confident | 83.1 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.7 | -43 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L2352 Y2758 K2759 L2765 R2766 | L2352-A2762 HydrophobicContact CB-CB 4.43Å; L2352-A2762 HydrophobicContact CD1-CB 4.07Å; Y2758-A2762 WeakPolarHBondContact O-CB 3.39Å; Y2758-A2762 PolarHBondContact O-N 3.43Å; K2759-A2762 PolarHBondContact O-N 3.39Å; A2762-L2765 PolarHBondContact O-N 3.42Å; A2762-R2766 WeakPolarHBondContact O-CG 3.43Å; A2762-R2766 PolarHBondContact O-N 2.94Å |
| 2763 | Q | 82.4 | Confident | 82.4 | Confident | 74 Ų | 74 | 55.9 Ų | 55.9 | 35% | 0.346 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 174.6 | -77 | -177.9 | -41.8 | 0 | 0 | 112.7 | K2759 A2760 L2765 R2766 T2767 E2792 | K2759-Q2763 PolarHBondContact O-N 2.96Å; A2760-Q2763 PolarHBondContact O-N 3.32Å; Q2763-L2765 VanDerWaalsContact C-N 3.32Å; Q2763-L2765 PolarHBondContact O-N 3.27Å; Q2763-R2766 PolarHBondContact O-N 3.46Å; Q2763-T2767 WeakPolarHBondContact O-CG2 3.33Å; Q2763-T2767 PolarHBondContact O-N 3.06Å; Q2763-T2767 PolarHBondContact O-OG1 2.96Å; Q2763-E2792 PolarHBondContact NE2-OE1 3.23Å |
| 2764 | N | 84.8 | Confident | 81.8 | Confident | 88 Ų | 88 | 56.1 Ų | 56.1 | 47% | 0.471 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.4 | -36.8 | 176.6 | -161.8 | -9.6 | 0 | 0 | 0 | 111.7 | A2760 A2761 T2767 K2768 | A2760-N2764 WeakPolarHBondContact O-CB 3.27Å; A2760-N2764 PolarHBondContact O-N 2.91Å; A2761-N2764 PolarHBondContact O-N 3.48Å; N2764-T2767 WeakPolarHBondContact CA-OG1 3.31Å; N2764-T2767 PolarHBondContact O-OG1 3.41Å; N2764-K2768 WeakPolarHBondContact O-CB 3.44Å; N2764-K2768 WeakPolarHBondContact O-CG 3.42Å; N2764-K2768 PolarHBondContact O-N 2.94Å |
| 2765 | L | 83.3 | Confident | 81.2 | Confident | 47 Ų | 47 | 63.3 Ų | 63.3 | 25% | 0.246 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.3 | -45.2 | 171.7 | -82.5 | 166.7 | 0 | 0 | 0 | 112.3 | L2352 A2355 T2356 A2359 A2761 A2762 Q2763 T2767 K2768 M2769 | L2352-L2765 HydrophobicContact CD1-CD1 3.72Å; A2355-L2765 HydrophobicContact CB-CB 4.42Å; T2356-L2765 HydrophobicContact CG2-CD1 3.43Å; T2356-L2765 VanDerWaalsContact CG2-CD1 3.43Å; A2359-L2765 HydrophobicContact CB-CD2 4.37Å; A2761-L2765 PolarHBondContact O-N 2.98Å; A2762-L2765 PolarHBondContact O-N 3.42Å; Q2763-L2765 VanDerWaalsContact C-N 3.32Å; Q2763-L2765 PolarHBondContact O-N 3.27Å; L2765-T2767 VanDerWaalsContact C-N 3.34Å; L2765-T2767 PolarHBondContact O-N 3.3Å; L2765-K2768 PolarHBondContact O-N 3.22Å; L2765-M2769 WeakPolarHBondContact O-CG 3.36Å; L2765-M2769 PolarHBondContact O-N 3.24Å |
| 2766 | R | 78.7 | Confident | 80.5 | Confident | 34 Ų | 34 | 66.2 Ų | 66.2 | 13% | 0.128 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 177.1 | -71.9 | 176.1 | -177.8 | 121.4 | -6.5 | 112 | E2351 A2762 Q2763 M2769 L2770 | E2351-R2766 IonicContact OE2-CZ 3.5Å; E2351-R2766 IonicContact OE2-NH1 2.7Å; E2351-R2766 PolarHBondContact OE2-NH1 3.31Å; E2351-R2766 VanDerWaalsContact OE2-NH1 3.15Å; E2351-R2766 IonicContact OE2-NH2 3.46Å; E2351-R2766 PolarHBondContact OE2-NH2 3.18Å; A2762-R2766 WeakPolarHBondContact O-CG 3.43Å; A2762-R2766 PolarHBondContact O-N 2.94Å; Q2763-R2766 PolarHBondContact O-N 3.46Å; R2766-M2769 HydrophobicContact CG-CE 4.22Å; R2766-M2769 PolarHBondContact O-N 3.13Å; R2766-L2770 PolarHBondContact O-N 3.27Å |
| 2767 | T | 81.1 | Confident | 79.8 | Confident | 70 Ų | 70 | 67.1 Ų | 67.1 | 43% | 0.429 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.2 | -38.9 | 177.8 | 50.9 | 0 | 0 | 0 | 0 | 112.8 | Q2763 N2764 L2765 L2770 A2771 | Q2763-T2767 WeakPolarHBondContact O-CG2 3.33Å; Q2763-T2767 PolarHBondContact O-N 3.06Å; Q2763-T2767 PolarHBondContact O-OG1 2.96Å; N2764-T2767 WeakPolarHBondContact CA-OG1 3.31Å; N2764-T2767 PolarHBondContact O-OG1 3.41Å; L2765-T2767 VanDerWaalsContact C-N 3.34Å; L2765-T2767 PolarHBondContact O-N 3.3Å; T2767-L2770 WeakPolarHBondContact O-CB 3.29Å; T2767-L2770 PolarHBondContact O-N 3.03Å; T2767-A2771 PolarHBondContact O-N 3.38Å |
| 2768 | K | 82.8 | Confident | 78.8 | Confident | 125 Ų | 125 | 67 Ų | 67 | 54% | 0.543 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 171.8 | -77.4 | 179.1 | -177 | 179.6 | 0 | 112.4 | N2764 L2765 A2771 Q2772 | N2764-K2768 WeakPolarHBondContact O-CB 3.44Å; N2764-K2768 WeakPolarHBondContact O-CG 3.42Å; N2764-K2768 PolarHBondContact O-N 2.94Å; L2765-K2768 PolarHBondContact O-N 3.22Å; K2768-A2771 PolarHBondContact O-N 2.95Å; K2768-Q2772 PolarHBondContact O-N 3.03Å |
| 2769 | M | 77.2 | Confident | 77.7 | Confident | 5 Ų | 5 | 63.6 Ų | 63.6 | 3% | 0.025 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 175.3 | -73.6 | -170.2 | -73 | 0 | 0 | 111.6 | A2359 L2362 L2765 R2766 A2771 Q2772 L2773 I2789 | A2359-M2769 WeakPolarHBondContact CA-SD 3.31Å; A2359-M2769 HydrophobicContact CB-CG 3.97Å; A2359-M2769 HydrophobicContact CB-SD 3.64Å; A2359-M2769 PolarHBondContact N-SD 2.68Å; A2359-M2769 VanDerWaalsContact N-SD 3.42Å; L2362-M2769 HydrophobicContact CD1-CB 4.41Å; L2362-M2769 HydrophobicContact CD1-CG 4.44Å; L2765-M2769 WeakPolarHBondContact O-CG 3.36Å; L2765-M2769 PolarHBondContact O-N 3.24Å; R2766-M2769 HydrophobicContact CG-CE 4.22Å; R2766-M2769 PolarHBondContact O-N 3.13Å; M2769-A2771 VanDerWaalsContact C-N 3.32Å; M2769-A2771 PolarHBondContact O-N 3.38Å; M2769-Q2772 PolarHBondContact O-N 3.39Å; M2769-L2773 PolarHBondContact O-N 3.36Å; M2769-I2789 HydrophobicContact CB-CD1 4.4Å |
| 2770 | L | 76 | Confident | 76.7 | Confident | 49 Ų | 49 | 63.2 Ų | 63.2 | 26% | 0.257 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -56.3 | -45.1 | 173.2 | -93.5 | 167.5 | 0 | 0 | 0 | 112.1 | R2766 T2767 L2773 N2774 I2789 | R2766-L2770 PolarHBondContact O-N 3.27Å; T2767-L2770 WeakPolarHBondContact O-CB 3.29Å; T2767-L2770 PolarHBondContact O-N 3.03Å; L2770-L2773 PolarHBondContact O-N 2.98Å; L2770-N2774 WeakPolarHBondContact O-CB 3.28Å; L2770-N2774 PolarHBondContact O-N 3.23Å; L2770-I2789 HydrophobicContact CB-CG2 4.38Å; L2770-I2789 HydrophobicContact CD1-CG2 4.26Å; L2770-I2789 HydrophobicContact CD2-CG2 3.46Å; L2770-I2789 VanDerWaalsContact CD2-CG2 3.46Å; L2770-I2789 HydrophobicContact CG-CG2 3.36Å |
| 2771 | A | 77.7 | Confident | 75.6 | Confident | 47 Ų | 47 | 69.6 Ų | 69.6 | 39% | 0.388 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.1 | -37.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T2767 K2768 M2769 R2775 | T2767-A2771 PolarHBondContact O-N 3.38Å; K2768-A2771 PolarHBondContact O-N 2.95Å; M2769-A2771 VanDerWaalsContact C-N 3.32Å; M2769-A2771 PolarHBondContact O-N 3.38Å; A2771-R2775 WeakPolarHBondContact O-CG 3.05Å; A2771-R2775 PolarHBondContact O-N 2.95Å |
| 2772 | Q | 76 | Confident | 74.3 | Confident | 61 Ų | 61 | 71 Ų | 71 | 29% | 0.285 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67.2 | -43.7 | 174.2 | -78.1 | -178.3 | -64.6 | 0 | 0 | 112.1 | L2362 E2366 K2768 M2769 N2774 R2775 N2776 | L2362-Q2772 HydrophobicContact CD2-CB 4.37Å; E2366-Q2772 PolarHBondContact OE2-NE2 3.41Å; K2768-Q2772 PolarHBondContact O-N 3.03Å; M2769-Q2772 PolarHBondContact O-N 3.39Å; Q2772-N2774 VanDerWaalsContact C-N 3.29Å; Q2772-N2774 PolarHBondContact O-N 3.39Å; Q2772-R2775 PolarHBondContact O-N 2.9Å; Q2772-R2775 VanDerWaalsContact O-N 3.12Å; Q2772-N2776 PolarHBondContact O-N 3.21Å; Q2772-N2776 VanDerWaalsContact O-N 3.17Å |
| 2773 | L | 72.5 | Confident | 73.1 | Confident | 20 Ų | 20 | 79.4 Ų | 79.4 | 11% | 0.105 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -61.4 | -39.3 | 178.2 | -135.1 | 82.6 | 0 | 0 | 0 | 111.7 | L2362 M2769 L2770 R2775 L2779 I2786 | L2362-L2773 HydrophobicContact CD1-CD1 3.61Å; L2362-L2773 HydrophobicContact CG-CD1 4.42Å; M2769-L2773 PolarHBondContact O-N 3.36Å; L2770-L2773 PolarHBondContact O-N 2.98Å; L2773-R2775 VanDerWaalsContact C-N 3.34Å; L2773-L2779 HydrophobicContact CD1-CB 4.39Å; L2773-I2786 HydrophobicContact CD2-CG1 4.36Å; L2773-I2786 HydrophobicContact CD2-CG2 4.11Å |
| 2774 | N | 74.4 | Confident | 71.9 | Confident | 138 Ų | 138 | 77.9 Ų | 77.9 | 74% | 0.738 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -69.7 | -26.8 | 176.5 | -81.9 | -18.6 | 0 | 0 | 0 | 113.6 | L2770 Q2772 | L2770-N2774 WeakPolarHBondContact O-CB 3.28Å; L2770-N2774 PolarHBondContact O-N 3.23Å; Q2772-N2774 VanDerWaalsContact C-N 3.29Å; Q2772-N2774 PolarHBondContact O-N 3.39Å |
| 2775 | R | 75.1 | Confident | 70.5 | Confident | 210 Ų | 210 | 76 Ų | 76 | 79% | 0.792 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -76.5 | -42.4 | 177.2 | -78.9 | 179.3 | -179.9 | 167.6 | 1 | 112.4 | A2771 Q2772 L2773 | A2771-R2775 WeakPolarHBondContact O-CG 3.05Å; A2771-R2775 PolarHBondContact O-N 2.95Å; Q2772-R2775 PolarHBondContact O-N 2.9Å; Q2772-R2775 VanDerWaalsContact O-N 3.12Å; L2773-R2775 VanDerWaalsContact C-N 3.34Å |
| 2776 | N | 71.5 | Confident | 69 | Low | 62 Ų | 62 | 75.5 Ų | 75.5 | 33% | 0.332 | 40% | 0.401 | S | S | . | . | trans | -114.3 | 87.4 | -174.9 | -66.2 | -14.5 | 0 | 0 | 0 | 110.6 | E2366 Q2772 A2778 L2779 | E2366-N2776 PolarHBondContact OE1-ND2 2.79Å; Q2772-N2776 PolarHBondContact O-N 3.21Å; Q2772-N2776 VanDerWaalsContact O-N 3.17Å; N2776-A2778 PolarHBondContact O-N 3.15Å; N2776-L2779 HydrophobicContact CB-CD1 3.55Å; N2776-L2779 PolarHBondContact O-N 3.34Å | ||
| 2777 | S | 69.2 | Low | 67.9 | Low | 99 Ų | 99 | 79 Ų | 79 | 69% | 0.692 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -16.1 | -178.5 | 63.6 | 0 | 0 | 0 | 0 | 114.3 | A2780 | S2777-A2780 PolarHBondContact O-N 3.27Š|
| 2778 | A | 66.9 | Low | 66.5 | Low | 46 Ų | 46 | 78 Ų | 78 | 38% | 0.38 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -32.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | N2776 A2780 K2781 | N2776-A2778 PolarHBondContact O-N 3.15Å; A2778-A2780 VanDerWaalsContact C-N 3.3Å; A2778-A2780 PolarHBondContact O-N 3.46Å; A2778-K2781 PolarHBondContact O-N 3.42Å |
| 2779 | L | 64.4 | Low | 65.1 | Low | 4 Ų | 4 | 72.9 Ų | 72.9 | 2% | 0.021 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -68.9 | -27.7 | 176.8 | -87.5 | 112.2 | 0 | 0 | 0 | 112.8 | L2362 A2365 E2366 I2369 L2773 N2776 K2781 L2782 | L2362-L2779 HydrophobicContact CD2-CD2 3.63Å; L2362-L2779 HydrophobicContact CG-CD2 3.78Å; A2365-L2779 HydrophobicContact CB-CD2 4.2Å; E2366-L2779 HydrophobicContact CB-CD1 4.07Å; E2366-L2779 HydrophobicContact CB-CD2 4.28Å; E2366-L2779 HydrophobicContact CG-CD1 4.2Å; I2369-L2779 HydrophobicContact CD1-CD1 4.08Å; I2369-L2779 HydrophobicContact CD1-CG 3.87Å; L2773-L2779 HydrophobicContact CD1-CB 4.39Å; N2776-L2779 HydrophobicContact CB-CD1 3.55Å; N2776-L2779 PolarHBondContact O-N 3.34Å; L2779-K2781 PolarHBondContact O-N 2.87Å; L2779-L2782 PolarHBondContact O-N 2.98Å |
| 2780 | A | 62.2 | Low | 63.7 | Low | 55 Ų | 55 | 77.7 Ų | 77.7 | 46% | 0.455 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -67.6 | -14.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S2777 A2778 | S2777-A2780 PolarHBondContact O-N 3.27Å; A2778-A2780 VanDerWaalsContact C-N 3.3Å; A2778-A2780 PolarHBondContact O-N 3.46Å |
| 2781 | K | 60 | Low | 62.4 | Low | 187 Ų | 187 | 83.8 Ų | 83.8 | 81% | 0.813 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -87.5 | -14.3 | 175.5 | -70.5 | -178.6 | 178.6 | 176.3 | 0 | 113.6 | A2778 L2779 | A2778-K2781 PolarHBondContact O-N 3.42Å; L2779-K2781 PolarHBondContact O-N 2.87Å |
| 2782 | L | 59.8 | Low | 60.9 | Low | 70 Ų | 70 | 86.1 Ų | 86.1 | 37% | 0.366 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -77.2 | 133.6 | 170.8 | -80.6 | 111.1 | 0 | 0 | 0 | 108.6 | I2369 L2779 L2784 | I2369-L2782 HydrophobicContact CD1-CD1 3.82Å; L2779-L2782 PolarHBondContact O-N 2.98Å; L2782-L2784 HydrophobicContact CB-CD1 3.7Å; L2782-L2784 HydrophobicContact CB-CG 4.3Å; L2782-L2784 PolarHBondContact O-N 3.49Å |
| 2783 | N | 58.7 | Low | 59.3 | Low | 177 Ų | 177 | 93.2 Ų | 93.2 | 95% | 0.947 | 47% | 0.471 | S | S | * | . | trans | -67.3 | 55.5 | 171.9 | -79.4 | -18.3 | 0 | 0 | 0 | 111.2 | ||||
| 2784 | L | 57.3 | Low | 57.6 | Low | 42 Ų | 42 | 100.2 Ų | 100.2 | 22% | 0.22 | 50% | 0.503 | C | S | . | . | trans | -74.8 | 153.7 | 166.6 | -78 | 140.2 | 0 | 0 | 0 | 108.3 | L2782 I2786 | L2782-L2784 HydrophobicContact CB-CD1 3.7Å; L2782-L2784 HydrophobicContact CB-CG 4.3Å; L2782-L2784 PolarHBondContact O-N 3.49Å; L2784-I2786 HydrophobicContact CB-CG1 4.16Å; L2784-I2786 WeakPolarHBondContact O-CG1 3.19Å; L2784-I2786 PolarHBondContact O-N 3.05Å | ||
| 2785 | P | 55.8 | Low | 55.8 | Low | 47 Ų | 47 | 99 Ų | 99 | 31% | 0.305 | 50% | 0.503 | S | S | . | . | trans | -69.8 | 71.3 | 175.7 | 28.4 | -32.8 | 0 | 0 | 0 | 110.7 | P2458 H2787 | P2458-P2785 HydrophobicContact CG-CG 4.34Å; P2785-H2787 VanDerWaalsContact CB-CE1 3.42Å; P2785-H2787 WeakPolarHBondContact CB-CE1 3.41Å; P2785-H2787 PolarHBondContact O-N 3.23Å | ||
| 2786 | I | 51.8 | Low | 53.8 | Low | 37 Ų | 37 | 94.6 Ų | 94.6 | 19% | 0.19 | 50% | 0.504 | C | S | . | . | G | 310 helix | trans | -72.7 | -14.5 | -177.6 | -63.2 | 159.2 | 0 | 0 | 0 | 110.6 | L2773 L2784 M2788 I2789 N2790 | L2773-I2786 HydrophobicContact CD2-CG1 4.36Å; L2773-I2786 HydrophobicContact CD2-CG2 4.11Å; L2784-I2786 HydrophobicContact CB-CG1 4.16Å; L2784-I2786 WeakPolarHBondContact O-CG1 3.19Å; L2784-I2786 PolarHBondContact O-N 3.05Å; I2786-M2788 PolarHBondContact O-N 3.27Å; I2786-I2789 WeakPolarHBondContact O-CB 3.34Å; I2786-I2789 PolarHBondContact O-N 3.36Å; I2786-N2790 PolarHBondContact O-N 2.9Å |
| 2787 | H | 55.2 | Low | 52 | Low | 108 Ų | 108 | 96.8 Ų | 96.8 | 50% | 0.5 | 52% | 0.52 | S | S | . | . | G | 310 helix | trans | -61.8 | -23.4 | 175.6 | 64.1 | -69.6 | 0 | 0 | 0 | 113.4 | E2459 P2785 I2789 | E2459-H2787 IonicContact OE1-CD2 3.75Å; E2459-H2787 IonicContact OE1-CE1 3.79Å; E2459-H2787 IonicContact OE1-NE2 3.33Å; E2459-H2787 PolarHBondContact OE1-NE2 3.48Å; P2785-H2787 VanDerWaalsContact CB-CE1 3.42Å; P2785-H2787 WeakPolarHBondContact CB-CE1 3.41Å; P2785-H2787 PolarHBondContact O-N 3.23Å; H2787-I2789 VanDerWaalsContact C-N 3.32Å |
| 2788 | M | 51.8 | Low | 50.3 | Low | 48 Ų | 48 | 97.1 Ų | 97.1 | 24% | 0.236 | 52% | 0.522 | C | S | . | . | G | 310 helix | trans | -74.8 | -19.6 | 172.8 | -77.4 | -168.6 | 45.8 | 0 | 0 | 114.1 | R2354 T2358 P2458 I2786 | R2354-M2788 HydrophobicContact CB-CE 4.29Å; T2358-M2788 HydrophobicContact CG2-CE 4.32Å; T2358-M2788 HydrophobicContact CG2-SD 4.36Å; P2458-M2788 HydrophobicContact CB-SD 4.17Å; P2458-M2788 HydrophobicContact CG-SD 3.81Å; I2786-M2788 PolarHBondContact O-N 3.27Å |
| 2789 | I | 53.2 | Low | 48.6 | Very low | 18 Ų | 18 | 101.2 Ų | 101.2 | 9% | 0.092 | 54% | 0.538 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -33 | -172.3 | -59.9 | -179 | 0 | 0 | 0 | 111 | M2769 L2770 I2786 H2787 | M2769-I2789 HydrophobicContact CB-CD1 4.4Å; L2770-I2789 HydrophobicContact CB-CG2 4.38Å; L2770-I2789 HydrophobicContact CD1-CG2 4.26Å; L2770-I2789 HydrophobicContact CD2-CG2 3.46Å; L2770-I2789 VanDerWaalsContact CD2-CG2 3.46Å; L2770-I2789 HydrophobicContact CG-CG2 3.36Å; I2786-I2789 WeakPolarHBondContact O-CB 3.34Å; I2786-I2789 PolarHBondContact O-N 3.36Å; H2787-I2789 VanDerWaalsContact C-N 3.32Å |
| 2790 | N | 47.8 | Very low | 47.3 | Very low | 106 Ų | 106 | 111.9 Ų | 111.9 | 57% | 0.567 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -94.2 | 3.8 | -172.7 | -86.4 | -16.7 | 0 | 0 | 0 | 115.8 | I2786 E2792 | I2786-N2790 PolarHBondContact O-N 2.9Å; N2790-E2792 PolarHBondContact O-N 3.46Å |
| 2791 | K | 49 | Very low | 45.8 | Very low | 178 Ų | 178 | 116.2 Ų | 116.2 | 77% | 0.774 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -5.6 | -175.1 | -131.7 | 178.3 | -177.6 | -179.1 | 0 | 114.5 | ||
| 2792 | E | 46 | Very low | 44.5 | Very low | 96 Ų | 96 | 116 Ų | 116 | 45% | 0.449 | 60% | 0.595 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.9 | 28.2 | -173.2 | -138.1 | 170.5 | -158.9 | 0 | 0 | 113.9 | Q2763 N2790 Q2794 | Q2763-E2792 PolarHBondContact NE2-OE1 3.23Å; N2790-E2792 PolarHBondContact O-N 3.46Å; E2792-Q2794 PolarHBondContact O-N 3.12Å |
| 2793 | K | 43.1 | Very low | 43.2 | Very low | 209 Ų | 209 | 121.4 Ų | 121.4 | 91% | 0.909 | 62% | 0.618 | S | S | * | * | trans | -77.6 | 52.4 | 168.9 | -137.3 | 179.7 | -170 | -178.5 | 0 | 111.5 | ||||
| 2794 | Q | 35.5 | Very low | 41.9 | Very low | 167 Ų | 167 | 118.4 Ų | 118.4 | 78% | 0.78 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -122.6 | 123.9 | 153.2 | -104.4 | 177.4 | -23.7 | 0 | 0 | 106.1 | E2792 S2796 | E2792-Q2794 PolarHBondContact O-N 3.12Å; Q2794-S2796 PolarHBondContact O-N 2.94Å; Q2794-S2796 VanDerWaalsContact O-N 3.09Å |
| 2795 | P | 37.6 | Very low | 40.7 | Very low | 113 Ų | 113 | 122 Ų | 122 | 73% | 0.734 | 64% | 0.64 | S | S | * | * | trans | -64.6 | 117.9 | -172.9 | 27.1 | -31.3 | 0 | 0 | 0 | 108.9 | T2797 | P2795-T2797 PolarHBondContact O-N 2.91Š| ||
| 2796 | S | 34 | Very low | 39.6 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 83% | 0.825 | 67% | 0.668 | S | S | * | * | trans | -66.3 | 80.2 | 163.1 | 44.7 | 0 | 0 | 0 | 0 | 108.9 | Q2794 S2798 | Q2794-S2796 PolarHBondContact O-N 2.94Å; Q2794-S2796 VanDerWaalsContact O-N 3.09Å; S2796-S2798 PolarHBondContact O-N 2.89Å | ||
| 2797 | T | 33.6 | Very low | 38.7 | Very low | 107 Ų | 107 | 136.7 Ų | 136.7 | 66% | 0.656 | 70% | 0.698 | S | S | * | * | trans | -74 | 115.9 | 154.4 | 50.8 | 0 | 0 | 0 | 0 | 106.7 | P2795 D2799 | P2795-T2797 PolarHBondContact O-N 2.91Å; T2797-D2799 PolarHBondContact O-N 3.18Å | ||
| 2798 | S | 33.6 | Very low | 37.9 | Very low | 107 Ų | 107 | 138.3 Ų | 138.3 | 75% | 0.748 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -64.6 | 61.9 | 176.3 | 53.1 | 0 | 0 | 0 | 0 | 112.4 | S2796 | S2796-S2798 PolarHBondContact O-N 2.89Š|
| 2799 | D | 31.1 | Very low | 37.1 | Very low | 132 Ų | 132 | 143 Ų | 143 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | trans | -142.3 | 90.9 | 173 | -81 | -38.4 | 0 | 0 | 0 | 109 | T2797 N2801 | T2797-D2799 PolarHBondContact O-N 3.18Å; D2799-N2801 PolarHBondContact O-N 3.41Å | ||
| 2800 | W | 35.8 | Very low | 36.3 | Very low | 227 Ų | 227 | 149.6 Ų | 149.6 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | trans | -82.2 | 50.2 | 176.2 | -72.5 | 96.3 | 0 | 0 | 0 | 111.8 | ||||
| 2801 | N | 30.6 | Very low | 35.9 | Very low | 146 Ų | 146 | 151.7 Ų | 151.7 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | trans | -123.3 | 134.1 | 176.5 | -89.4 | -20.7 | 0 | 0 | 0 | 112.1 | D2799 | D2799-N2801 PolarHBondContact O-N 3.41Š| ||
| 2802 | Q | 32.4 | Very low | 35.5 | Very low | 182 Ų | 182 | 152.3 Ų | 152.3 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | 93.2 | 109.9 | 163.4 | -64.6 | 176.6 | -3.3 | 0 | 0 | 119.5 | S2804 | Q2802-S2804 PolarHBondContact O-N 3.19Š| ||
| 2803 | H | 32.7 | Very low | 35.1 | Very low | 185 Ų | 185 | 158.9 Ų | 158.9 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | trans | -23.8 | 119.1 | 143.4 | -70.4 | -85.7 | 0 | 0 | 0 | 113.8 | ||||
| 2804 | S | 32.1 | Very low | 34.7 | Very low | 114 Ų | 114 | 155.4 Ų | 155.4 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -142.8 | 136.2 | 150.4 | 63.4 | 0 | 0 | 0 | 0 | 111.3 | Q2802 | Q2802-S2804 PolarHBondContact O-N 3.19Š| ||
| 2805 | S | 31.7 | Very low | 34.8 | Very low | 117 Ų | 117 | 155.8 Ų | 155.8 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 121.8 | -177.9 | 50.2 | 0 | 0 | 0 | 0 | 113.7 | ||
| 2806 | F | 34.2 | Very low | 34.9 | Very low | 204 Ų | 204 | 159 Ų | 159 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 121.6 | 167.1 | -150.2 | -96 | 0 | 0 | 0 | 109.5 | ||
| 2807 | K | 32.4 | Very low | 35.2 | Very low | 189 Ų | 189 | 162.2 Ų | 162.2 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 134.9 | 173.1 | -82.2 | -172.6 | 175 | -178 | 0 | 109.8 | D2809 | K2807-D2809 PolarHBondContact O-N 2.85Š|
| 2808 | I | 37.9 | Very low | 35.8 | Very low | 141 Ų | 141 | 161 Ų | 161 | 72% | 0.723 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -73.7 | 103.1 | 172.4 | -62.9 | 163.8 | 0 | 0 | 0 | 106.8 | I2811 | I2808-I2811 HydrophobicContact CG2-CD1 4.36Š|
| 2809 | D | 35.2 | Very low | 36.6 | Very low | 148 Ų | 148 | 160.8 Ų | 160.8 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | -172.9 | 80 | 157.4 | -88.8 | -25.1 | 0 | 0 | 0 | 107.3 | K2807 | K2807-D2809 PolarHBondContact O-N 2.85Š| ||
| 2810 | D | 37.2 | Very low | 37.5 | Very low | 155 Ų | 155 | 155.9 Ų | 155.9 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | trans | 175.6 | 65.3 | 156 | -92.3 | -21 | 0 | 0 | 0 | 109.4 | ||||
| 2811 | I | 39.1 | Very low | 38.5 | Very low | 150 Ų | 150 | 149.4 Ų | 149.4 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | trans | -101.9 | 77 | 174.3 | -56.1 | 174.1 | 0 | 0 | 0 | 107.5 | I2808 | I2808-I2811 HydrophobicContact CG2-CD1 4.36Š| ||
| 2812 | E | 40.4 | Very low | 40 | Very low | 191 Ų | 191 | 142.8 Ų | 142.8 | 89% | 0.893 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -159.9 | 6.8 | 161 | -116.9 | 172.1 | -155.2 | 0 | 0 | 116.7 | ||
| 2813 | R | 36.6 | Very low | 41.7 | Very low | 235 Ų | 235 | 139.5 Ų | 139.5 | 89% | 0.887 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -132.3 | 5.8 | 180 | -80.3 | -170.1 | -161.3 | 158.1 | 8.6 | 118.8 | ||
| 2814 | H | 36 | Very low | 43.7 | Very low | 135 Ų | 135 | 131.2 Ų | 131.2 | 63% | 0.625 | 67% | 0.666 | S | S | * | * | trans | -106.9 | 68.7 | -178.7 | -73.7 | -63.4 | 0 | 0 | 0 | 113.5 | Y2817 | H2814-Y2817 HydrophobicContact CB-CD2 4.35Å; H2814-Y2817 HydrophobicContact CB-CE2 3.9Å | ||
| 2815 | N | 37.1 | Very low | 45.7 | Very low | 175 Ų | 175 | 126 Ų | 126 | 94% | 0.936 | 63% | 0.629 | S | S | * | * | trans | -109.6 | 15 | 164.7 | -96.6 | -8.8 | 0 | 0 | 0 | 113.3 | ||||
| 2816 | E | 39.1 | Very low | 47.9 | Very low | 182 Ų | 182 | 126.8 Ų | 126.8 | 85% | 0.85 | 62% | 0.617 | S | S | * | * | trans | -123.1 | 49 | 177 | -145.9 | 171.8 | -151.2 | 0 | 0 | 110.1 | S2818 | E2816-S2818 VanDerWaalsContact C-N 3.31Å; E2816-S2818 PolarHBondContact O-N 3.3Å | ||
| 2817 | Y | 41.3 | Very low | 50 | Low | 185 Ų | 185 | 118 Ų | 118 | 73% | 0.725 | 58% | 0.579 | S | S | * | * | trans | -70.1 | 97.2 | 161.7 | -88.8 | -79.9 | 0 | 0 | 0 | 107.4 | H2814 V2819 | H2814-Y2817 HydrophobicContact CB-CD2 4.35Å; H2814-Y2817 HydrophobicContact CB-CE2 3.9Å; Y2817-V2819 PolarHBondContact O-N 3.01Å; Y2817-V2819 VanDerWaalsContact O-N 3.14Å | ||
| 2818 | S | 44.8 | Very low | 52.4 | Low | 82 Ų | 82 | 109.8 Ų | 109.8 | 57% | 0.573 | 55% | 0.545 | S | S | * | . | trans | -49.2 | 117.3 | 174.6 | 178.7 | 0 | 0 | 0 | 0 | 110.2 | E2816 A2820 | E2816-S2818 VanDerWaalsContact C-N 3.31Å; E2816-S2818 PolarHBondContact O-N 3.3Å; S2818-A2820 PolarHBondContact O-N 3.21Å | ||
| 2819 | V | 50.5 | Low | 54.2 | Low | 102 Ų | 102 | 109.6 Ų | 109.6 | 62% | 0.618 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 11 | -179.3 | 177.6 | 0 | 0 | 0 | 0 | 113 | Q2347 Y2817 | Q2347-V2819 PolarHBondContact NE2-O 3.37Å; Y2817-V2819 PolarHBondContact O-N 3.01Å; Y2817-V2819 VanDerWaalsContact O-N 3.14Å |
| 2820 | A | 51.6 | Low | 56.1 | Low | 28 Ų | 28 | 104.8 Ų | 104.8 | 23% | 0.231 | 51% | 0.509 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -30.8 | -165.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | E2351 R2354 S2818 | E2351-A2820 WeakPolarHBondContact CG-O 3.33Å; R2354-A2820 PolarHBondContact NH1-O 3.14Å; S2818-A2820 PolarHBondContact O-N 3.21Å |
| 2821 | D | 55.5 | Low | 58.1 | Low | 92 Ų | 92 | 100.8 Ų | 100.8 | 49% | 0.492 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -108.6 | 133.4 | -167.4 | -66.1 | -19.7 | 0 | 0 | 0 | 113.9 | Q2347 E2351 I2823 | Q2347-D2821 PolarHBondContact NE2-O 2.86Å; E2351-D2821 VanDerWaalsContact CD-OD1 3.31Å; E2351-D2821 VanDerWaalsContact OE1-C 3.31Å; E2351-D2821 WeakPolarHBondContact OE1-CA 3.09Å; E2351-D2821 WeakPolarHBondContact OE1-CB 3.44Å; D2821-I2823 PolarHBondContact O-N 2.95Å |
| 2822 | A | 62.1 | Low | 59.8 | Low | 6 Ų | 6 | 98.2 Ų | 98.2 | 5% | 0.05 | 48% | 0.475 | C | S | . | . | trans | -75.5 | 114.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q2347 A2348 E2351 K2759 | Q2347-A2822 HydrophobicContact CB-CB 4.24Å; Q2347-A2822 HydrophobicContact CG-CB 4.18Å; A2348-A2822 HydrophobicContact CB-CB 3.93Å; E2351-A2822 PolarHBondContact OE1-N 3.37Å; K2759-A2822 PolarHBondContact NZ-O 2.94Å | ||
| 2823 | I | 68.5 | Low | 61.5 | Low | 113 Ų | 113 | 91.3 Ų | 91.3 | 58% | 0.579 | 45% | 0.448 | S | S | * | . | trans | -72.6 | 129.5 | 174.3 | -64.8 | 167.7 | 0 | 0 | 0 | 108.7 | D2821 P2825 | D2821-I2823 PolarHBondContact O-N 2.95Å; I2823-P2825 VanDerWaalsContact O-CD 3.27Å; I2823-P2825 WeakPolarHBondContact O-CD 3.27Å | ||
| 2824 | V | 73.9 | Confident | 63.6 | Low | 12 Ų | 12 | 84.9 Ų | 84.9 | 7% | 0.073 | 43% | 0.428 | C | S | . | . | trans | -80.1 | 114.6 | 173.8 | 179.3 | 0 | 0 | 0 | 0 | 107.8 | L2755 L2756 K2759 C2828 R2829 | L2755-V2824 HydrophobicContact CD2-CB 4.16Å; L2755-V2824 HydrophobicContact CD2-CG1 4.05Å; L2755-V2824 HydrophobicContact CD2-CG2 3.82Å; L2756-V2824 HydrophobicContact CD2-CG1 4.02Å; L2756-V2824 HydrophobicContact CD2-CG2 4.27Å; K2759-V2824 HydrophobicContact CD-CG2 3.65Å; V2824-C2828 HydrophobicContact CG1-CB 3.93Å; V2824-R2829 HydrophobicContact CG1-CG 4.13Å; V2824-R2829 VanDerWaalsContact O-CZ 3.28Å; V2824-R2829 PolarHBondContact O-NE 3.02Å; V2824-R2829 PolarHBondContact O-NH2 3.44Å | ||
| 2825 | P | 75.5 | Confident | 65.7 | Low | 3 Ų | 3 | 80.3 Ų | 80.3 | 2% | 0.019 | 41% | 0.405 | C | S | . | . | trans | -66.7 | 156.3 | -176.7 | -23.2 | 36.5 | 0 | 0 | 0 | 112.9 | R2342 V2343 E2483 I2823 H2827 C2828 | R2342-P2825 HydrophobicContact CB-CB 4.21Å; R2342-P2825 HydrophobicContact CB-CG 3.98Å; R2342-P2825 WeakPolarHBondContact O-CG 3.37Å; V2343-P2825 HydrophobicContact CG2-CG 4.12Å; E2483-P2825 WeakPolarHBondContact OE1-CA 3.45Å; I2823-P2825 VanDerWaalsContact O-CD 3.27Å; I2823-P2825 WeakPolarHBondContact O-CD 3.27Å; P2825-H2827 VanDerWaalsContact C-N 3.31Å; P2825-H2827 VanDerWaalsContact CB-CE1 3.44Å; P2825-H2827 WeakPolarHBondContact CB-CE1 3.48Å; P2825-H2827 WeakPolarHBondContact CB-ND1 3.41Å; P2825-H2827 PolarHBondContact O-N 2.93Å; P2825-C2828 PolarHBondContact O-N 2.97Å; P2825-C2828 VanDerWaalsContact O-N 3.09Å | ||
| 2826 | K | 76.8 | Confident | 67.7 | Low | 134 Ų | 134 | 75.6 Ų | 75.6 | 58% | 0.583 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -55.1 | -40.2 | -178.3 | -166.2 | -178.4 | 178.9 | -170.8 | 0 | 113.8 | E2483 C2828 R2829 M2830 | E2483-K2826 PolarHBondContact OE1-N 3.19Å; K2826-C2828 VanDerWaalsContact C-N 3.26Å; K2826-C2828 PolarHBondContact O-N 2.92Å; K2826-R2829 WeakPolarHBondContact O-CB 2.89Å; K2826-R2829 PolarHBondContact O-N 2.75Å; K2826-M2830 PolarHBondContact O-N 2.99Å |
| 2827 | H | 78.8 | Confident | 69.7 | Low | 19 Ų | 19 | 71.2 Ų | 71.2 | 9% | 0.088 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -64.6 | -27.3 | -179.5 | 68.9 | -85.4 | 0 | 0 | 0 | 113.2 | R2339 V2343 P2825 R2829 M2830 | R2339-H2827 HydrophobicContact CG-CB 4.36Å; R2339-H2827 PolarHBondContact O-CE1 3.25Å; R2339-H2827 VanDerWaalsContact O-CE1 3.26Å; V2343-H2827 WeakPolarHBondContact CG2-NE2 3.37Å; P2825-H2827 VanDerWaalsContact C-N 3.31Å; P2825-H2827 VanDerWaalsContact CB-CE1 3.44Å; P2825-H2827 WeakPolarHBondContact CB-CE1 3.48Å; P2825-H2827 WeakPolarHBondContact CB-ND1 3.41Å; P2825-H2827 PolarHBondContact O-N 2.93Å; H2827-R2829 PolarHBondContact O-N 3.42Å; H2827-M2830 WeakPolarHBondContact O-CB 3.35Å; H2827-M2830 PolarHBondContact O-N 3.04Å |
| 2828 | C | 82.4 | Confident | 71.6 | Confident | 17 Ų | 17 | 65.1 Ų | 65.1 | 12% | 0.115 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -77.1 | -9.3 | 173 | -62.7 | 0 | 0 | 0 | 0 | 113.5 | C2752 V2824 P2825 K2826 | C2752-C2828 VanDerWaalsContact CA-SG 3.56Å; C2752-C2828 HydrophobicContact CB-CB 3.67Å; C2752-C2828 WeakPolarHBondContact CB-SG 3.46Å; C2752-C2828 WeakPolarHBondContact SG-CA 3.41Å; C2752-C2828 WeakPolarHBondContact SG-CB 3.36Å; C2752-C2828 CovalentContact SG-SG 2.05Å; C2752-C2828 PolarHBondContact SG-SG 3.17Å; V2824-C2828 HydrophobicContact CG1-CB 3.93Å; P2825-C2828 PolarHBondContact O-N 2.97Å; P2825-C2828 VanDerWaalsContact O-N 3.09Å; K2826-C2828 VanDerWaalsContact C-N 3.26Å; K2826-C2828 PolarHBondContact O-N 2.92Å |
| 2829 | R | 76.6 | Confident | 73.3 | Confident | 137 Ų | 137 | 62.1 Ų | 62.1 | 52% | 0.517 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -100.2 | -5.9 | 175.2 | -55.9 | -176.9 | -164.8 | 154.2 | 5.4 | 112.9 | V2824 K2826 H2827 | V2824-R2829 HydrophobicContact CG1-CG 4.13Å; V2824-R2829 VanDerWaalsContact O-CZ 3.28Å; V2824-R2829 PolarHBondContact O-NE 3.02Å; V2824-R2829 PolarHBondContact O-NH2 3.44Å; K2826-R2829 WeakPolarHBondContact O-CB 2.89Å; K2826-R2829 PolarHBondContact O-N 2.75Å; H2827-R2829 PolarHBondContact O-N 3.42Å |
| 2830 | M | 75.4 | Confident | 74.6 | Confident | 47 Ų | 47 | 58.8 Ų | 58.8 | 23% | 0.232 | 30% | 0.3 | C | S | . | . | trans | -67.9 | 134.4 | -174.3 | -158.5 | 156.6 | 170.7 | 0 | 0 | 110.7 | K2826 H2827 E2834 R2835 E2838 | K2826-M2830 PolarHBondContact O-N 2.99Å; H2827-M2830 WeakPolarHBondContact O-CB 3.35Å; H2827-M2830 PolarHBondContact O-N 3.04Å; M2830-E2834 HydrophobicContact CE-CB 3.69Å; M2830-E2834 WeakPolarHBondContact CE-O 3.48Å; M2830-E2834 HydrophobicContact CG-CB 3.6Å; M2830-E2834 WeakPolarHBondContact CG-OE2 3.45Å; M2830-R2835 PolarHBondContact O-NH2 3.34Å; M2830-E2838 HydrophobicContact CE-CB 4.35Å | ||
| 2831 | T | 77.5 | Confident | 76 | Confident | 72 Ų | 72 | 63.4 Ų | 63.4 | 44% | 0.442 | 32% | 0.317 | S | S | . | . | trans | -65.9 | 161 | 178.8 | 59.3 | 0 | 0 | 0 | 0 | 110.7 | S2833 E2834 R2835 | T2831-S2833 VanDerWaalsContact C-N 3.34Å; T2831-S2833 PolarHBondContact O-N 2.83Å; T2831-S2833 PolarHBondContact OG1-OG 2.91Å; T2831-E2834 PolarHBondContact N-OE2 2.91Å; T2831-E2834 VanDerWaalsContact N-OE2 3.12Å; T2831-E2834 WeakPolarHBondContact OG1-CB 3.42Å; T2831-E2834 VanDerWaalsContact OG1-CG 3.26Å; T2831-E2834 WeakPolarHBondContact OG1-CG 3.07Å; T2831-E2834 PolarHBondContact OG1-OE2 2.93Å; T2831-R2835 PolarHBondContact O-N 3.38Å | ||
| 2832 | Q | 76.4 | Confident | 77 | Confident | 96 Ų | 96 | 60 Ų | 60 | 45% | 0.449 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.8 | -42.8 | -177.7 | -167.9 | 65.8 | 28.3 | 0 | 0 | 111.2 | R2835 D2836 | Q2832-R2835 WeakPolarHBondContact O-CB 3.33Å; Q2832-R2835 PolarHBondContact O-N 2.93Å; Q2832-D2836 VanDerWaalsContact O-CG 3.29Å; Q2832-D2836 PolarHBondContact O-N 2.97Å |
| 2833 | S | 75 | Confident | 77.9 | Confident | 46 Ų | 46 | 63.1 Ų | 63.1 | 32% | 0.322 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 178 | 52.5 | 0 | 0 | 0 | 0 | 113 | T2831 R2835 D2836 I2837 | T2831-S2833 VanDerWaalsContact C-N 3.34Å; T2831-S2833 PolarHBondContact O-N 2.83Å; T2831-S2833 PolarHBondContact OG1-OG 2.91Å; S2833-R2835 PolarHBondContact O-N 2.98Å; S2833-D2836 PolarHBondContact O-N 3.44Å; S2833-I2837 VanDerWaalsContact O-CG1 3.28Å; S2833-I2837 WeakPolarHBondContact O-CG1 3.32Å; S2833-I2837 PolarHBondContact O-N 2.97Å |
| 2834 | E | 80.8 | Confident | 78.2 | Confident | 99 Ų | 99 | 63.8 Ų | 63.8 | 46% | 0.463 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.3 | -38.4 | 174.8 | -77.6 | 174.3 | 145.1 | 0 | 0 | 112.1 | M2830 T2831 E2838 | M2830-E2834 HydrophobicContact CE-CB 3.69Å; M2830-E2834 WeakPolarHBondContact CE-O 3.48Å; M2830-E2834 HydrophobicContact CG-CB 3.6Å; M2830-E2834 WeakPolarHBondContact CG-OE2 3.45Å; T2831-E2834 PolarHBondContact N-OE2 2.91Å; T2831-E2834 VanDerWaalsContact N-OE2 3.12Å; T2831-E2834 WeakPolarHBondContact OG1-CB 3.42Å; T2831-E2834 VanDerWaalsContact OG1-CG 3.26Å; T2831-E2834 WeakPolarHBondContact OG1-CG 3.07Å; T2831-E2834 PolarHBondContact OG1-OE2 2.93Å; E2834-E2838 PolarHBondContact O-N 3.26Å; E2834-E2838 VanDerWaalsContact O-N 3.15Å |
| 2835 | R | 80.4 | Confident | 78.2 | Confident | 40 Ų | 40 | 64.3 Ų | 64.3 | 15% | 0.151 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.2 | -40 | 177.2 | -113.9 | -177.7 | -69.6 | 121.7 | 7.1 | 112.2 | M2830 T2831 Q2832 S2833 I2837 E2838 L2839 | M2830-R2835 PolarHBondContact O-NH2 3.34Å; T2831-R2835 PolarHBondContact O-N 3.38Å; Q2832-R2835 WeakPolarHBondContact O-CB 3.33Å; Q2832-R2835 PolarHBondContact O-N 2.93Å; S2833-R2835 PolarHBondContact O-N 2.98Å; R2835-I2837 VanDerWaalsContact C-N 3.34Å; R2835-E2838 PolarHBondContact O-N 3.22Å; R2835-L2839 PolarHBondContact O-N 3.24Å |
| 2836 | D | 78.1 | Confident | 78.1 | Confident | 75 Ų | 75 | 69.2 Ų | 69.2 | 40% | 0.401 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68.3 | -36.5 | -180 | -67.3 | -29.6 | 0 | 0 | 0 | 111.3 | Q2832 S2833 L2839 A2840 | Q2832-D2836 VanDerWaalsContact O-CG 3.29Å; Q2832-D2836 PolarHBondContact O-N 2.97Å; S2833-D2836 PolarHBondContact O-N 3.44Å; D2836-L2839 PolarHBondContact O-N 3.34Å; D2836-A2840 WeakPolarHBondContact O-CB 3.49Å; D2836-A2840 PolarHBondContact O-N 2.71Å |
| 2837 | I | 81.6 | Confident | 77.7 | Confident | 90 Ų | 90 | 67.7 Ų | 67.7 | 46% | 0.462 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.5 | -47.9 | 171.9 | -65.8 | 164.5 | 0 | 0 | 0 | 110.9 | S2833 R2835 L2839 A2840 E2841 | S2833-I2837 VanDerWaalsContact O-CG1 3.28Å; S2833-I2837 WeakPolarHBondContact O-CG1 3.32Å; S2833-I2837 PolarHBondContact O-N 2.97Å; R2835-I2837 VanDerWaalsContact C-N 3.34Å; I2837-L2839 VanDerWaalsContact C-N 3.3Å; I2837-L2839 PolarHBondContact O-N 2.8Å; I2837-A2840 WeakPolarHBondContact O-CB 3.37Å; I2837-A2840 PolarHBondContact O-N 3.39Å; I2837-E2841 PolarHBondContact O-N 3.32Å |
| 2838 | E | 80.5 | Confident | 77.3 | Confident | 58 Ų | 58 | 68.6 Ų | 68.6 | 27% | 0.271 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.1 | -36.3 | 178.4 | -165.5 | 179.2 | -151.2 | 0 | 0 | 111.6 | R2339 M2830 E2834 R2835 A2842 | R2339-E2838 IonicContact CZ-OE1 3.35Å; R2339-E2838 IonicContact CZ-OE2 3Å; R2339-E2838 IonicContact NH1-OE1 2.81Å; R2339-E2838 IonicContact NH1-OE2 3.94Å; R2339-E2838 PolarHBondContact NH1-OE2 3.47Å; R2339-E2838 IonicContact NH2-OE1 3.8Å; R2339-E2838 PolarHBondContact NH2-OE1 3.44Å; R2339-E2838 IonicContact NH2-OE2 3.24Å; R2339-E2838 PolarHBondContact NH2-OE2 2.96Å; M2830-E2838 HydrophobicContact CE-CB 4.35Å; E2834-E2838 PolarHBondContact O-N 3.26Å; E2834-E2838 VanDerWaalsContact O-N 3.15Å; R2835-E2838 PolarHBondContact O-N 3.22Å; E2838-A2842 VanDerWaalsContact O-CB 3.29Å; E2838-A2842 WeakPolarHBondContact O-CB 3.35Å; E2838-A2842 PolarHBondContact O-N 3.1Å |
| 2839 | L | 81.9 | Confident | 76.8 | Confident | 19 Ų | 19 | 73.6 Ų | 73.6 | 10% | 0.099 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68.2 | -36.6 | 173.8 | -109 | 100.9 | 0 | 0 | 0 | 112.9 | N2745 R2835 D2836 I2837 A2842 R2843 | N2745-L2839 HydrophobicContact CB-CD1 4.05Å; N2745-L2839 WeakPolarHBondContact ND2-CD1 3.45Å; R2835-L2839 PolarHBondContact O-N 3.24Å; D2836-L2839 PolarHBondContact O-N 3.34Å; I2837-L2839 VanDerWaalsContact C-N 3.3Å; I2837-L2839 PolarHBondContact O-N 2.8Å; L2839-A2842 PolarHBondContact O-N 3.19Å; L2839-R2843 WeakPolarHBondContact O-CB 3.42Å; L2839-R2843 WeakPolarHBondContact O-CD 3.43Å; L2839-R2843 WeakPolarHBondContact O-CG 3.43Å; L2839-R2843 PolarHBondContact O-N 2.98Å |
| 2840 | A | 78.3 | Confident | 76.9 | Confident | 32 Ų | 32 | 68.1 Ų | 68.1 | 26% | 0.264 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.3 | -47.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | D2836 I2837 A2842 R2843 Q2844 | D2836-A2840 WeakPolarHBondContact O-CB 3.49Å; D2836-A2840 PolarHBondContact O-N 2.71Å; I2837-A2840 WeakPolarHBondContact O-CB 3.37Å; I2837-A2840 PolarHBondContact O-N 3.39Å; A2840-A2842 VanDerWaalsContact C-N 3.32Å; A2840-A2842 PolarHBondContact O-N 3.42Å; A2840-R2843 PolarHBondContact O-N 2.91Å; A2840-R2843 VanDerWaalsContact O-N 3.15Å; A2840-Q2844 PolarHBondContact O-N 2.87Å |
| 2841 | E | 80.7 | Confident | 76.9 | Confident | 125 Ų | 125 | 66.9 Ų | 66.9 | 58% | 0.584 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -63 | -38 | 176.8 | -167.9 | -180 | 176.9 | 0 | 0 | 112 | I2837 R2843 Q2844 | I2837-E2841 PolarHBondContact O-N 3.32Å; E2841-R2843 VanDerWaalsContact C-N 3.3Å; E2841-R2843 PolarHBondContact O-N 2.95Å; E2841-Q2844 PolarHBondContact O-N 3.3Å |
| 2842 | A | 75.6 | Confident | 76.7 | Confident | 19 Ų | 19 | 65 Ų | 65 | 16% | 0.157 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.2 | -26.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | I2332 E2838 L2839 A2840 | I2332-A2842 HydrophobicContact CD1-CB 3.84Å; I2332-A2842 HydrophobicContact CG1-CB 4.21Å; E2838-A2842 VanDerWaalsContact O-CB 3.29Å; E2838-A2842 WeakPolarHBondContact O-CB 3.35Å; E2838-A2842 PolarHBondContact O-N 3.1Å; L2839-A2842 PolarHBondContact O-N 3.19Å; A2840-A2842 VanDerWaalsContact C-N 3.32Å; A2840-A2842 PolarHBondContact O-N 3.42Å |
| 2843 | R | 81.1 | Confident | 76.6 | Confident | 73 Ų | 73 | 65 Ų | 65 | 28% | 0.275 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -87.5 | -13.7 | 178.6 | -73.2 | 167 | -179.4 | 159.5 | -5.7 | 113.3 | H2738 T2741 L2839 A2840 E2841 I2845 | H2738-R2843 PolarHBondContact ND1-NE 3.36Å; T2741-R2843 HydrophobicContact CG2-CG 4.45Å; L2839-R2843 WeakPolarHBondContact O-CB 3.42Å; L2839-R2843 WeakPolarHBondContact O-CD 3.43Å; L2839-R2843 WeakPolarHBondContact O-CG 3.43Å; L2839-R2843 PolarHBondContact O-N 2.98Å; A2840-R2843 PolarHBondContact O-N 2.91Å; A2840-R2843 VanDerWaalsContact O-N 3.15Å; E2841-R2843 VanDerWaalsContact C-N 3.3Å; E2841-R2843 PolarHBondContact O-N 2.95Å; R2843-I2845 PolarHBondContact O-N 3Å |
| 2844 | Q | 75.1 | Confident | 76.4 | Confident | 126 Ų | 126 | 65.8 Ų | 65.8 | 59% | 0.589 | 33% | 0.33 | S | S | * | . | trans | -75.7 | 114.7 | -176.4 | -160.1 | 166.2 | 17.7 | 0 | 0 | 110.9 | A2840 E2841 | A2840-Q2844 PolarHBondContact O-N 2.87Å; E2841-Q2844 PolarHBondContact O-N 3.3Å | ||
| 2845 | I | 74.3 | Confident | 76.4 | Confident | 23 Ų | 23 | 61.4 Ų | 61.4 | 12% | 0.118 | 31% | 0.31 | C | S | . | . | trans | -108.6 | 125 | 171.4 | -62.4 | 166.4 | 0 | 0 | 0 | 107.4 | M2321 M2325 L2737 R2843 I2847 | M2321-I2845 HydrophobicContact CG-CG2 4.02Å; M2325-I2845 HydrophobicContact CB-CD1 4.49Å; L2737-I2845 HydrophobicContact CB-CD1 4.48Å; L2737-I2845 HydrophobicContact CD2-CD1 3.5Å; L2737-I2845 VanDerWaalsContact CD2-CD1 3.5Å; L2737-I2845 HydrophobicContact CD2-CG1 3.59Å; R2843-I2845 PolarHBondContact O-N 3Å; I2845-I2847 PolarHBondContact O-N 3.43Å | ||
| 2846 | D | 72 | Confident | 76.2 | Confident | 106 Ų | 106 | 61.4 Ų | 61.4 | 57% | 0.567 | 31% | 0.314 | S | S | * | . | trans | -71.4 | 111.1 | 169.9 | -63.5 | -43.1 | 0 | 0 | 0 | 108.2 | Q2324 P2848 | Q2324-D2846 PolarHBondContact OE1-O 2.83Å; D2846-P2848 WeakPolarHBondContact O-CD 3.49Å | ||
| 2847 | I | 69.4 | Low | 76.2 | Confident | 102 Ų | 102 | 58 Ų | 58 | 52% | 0.523 | 30% | 0.296 | S | S | . | . | trans | -76.5 | 114.6 | -176.9 | -55.8 | 165.7 | 0 | 0 | 0 | 107.8 | L2730 I2845 Y2849 | L2730-I2847 HydrophobicContact CD1-CD1 3.95Å; L2730-I2847 HydrophobicContact CD1-CG1 3.79Å; L2730-I2847 HydrophobicContact CD1-CG2 4.06Å; L2730-I2847 HydrophobicContact CD2-CD1 3.84Å; L2730-I2847 HydrophobicContact CD2-CG1 4.47Å; L2730-I2847 HydrophobicContact CD2-CG2 4.26Å; L2730-I2847 HydrophobicContact CG-CD1 4.48Å; I2845-I2847 PolarHBondContact O-N 3.43Å; I2847-Y2849 PolarHBondContact O-N 3.25Å | ||
| 2848 | P | 70.3 | Confident | 76.2 | Confident | 38 Ų | 38 | 58.6 Ų | 58.6 | 25% | 0.247 | 30% | 0.295 | C | S | . | . | trans | -65.8 | 134.7 | 178.9 | 24.8 | -30.9 | 0 | 0 | 0 | 110.5 | S2317 M2321 D2846 C2850 | S2317-P2848 WeakPolarHBondContact O-CG 3.41Å; M2321-P2848 HydrophobicContact CB-CG 4.07Å; D2846-P2848 WeakPolarHBondContact O-CD 3.49Å; P2848-C2850 PolarHBondContact O-N 2.98Å | ||
| 2849 | Y | 70.9 | Confident | 76 | Confident | 122 Ų | 122 | 56.3 Ų | 56.3 | 48% | 0.478 | 29% | 0.285 | S | S | . | . | trans | -67.9 | 118.4 | -172 | 179.3 | -115.3 | 0 | 0 | 0 | 112.5 | I1982 I2847 P2851 | I1982-Y2849 HydrophobicContact CD1-CD2 4.29Å; I1982-Y2849 HydrophobicContact CD1-CE2 3.71Å; I2847-Y2849 PolarHBondContact O-N 3.25Å; Y2849-P2851 HydrophobicContact CD1-CB 4.43Å; Y2849-P2851 HydrophobicContact CD1-CG 4.45Å; Y2849-P2851 HydrophobicContact CE1-CB 3.66Å; Y2849-P2851 HydrophobicContact CE1-CG 4.09Å; Y2849-P2851 WeakPolarHBondContact O-CD 3.41Å | ||
| 2850 | C | 79.9 | Confident | 75.9 | Confident | 23 Ų | 23 | 56 Ų | 56 | 16% | 0.155 | 28% | 0.283 | C | S | . | . | trans | -104.5 | 102.3 | 170.4 | 161 | 0 | 0 | 0 | 0 | 108.6 | C2314 P2848 L2852 | C2314-C2850 HydrophobicContact CB-CB 3.97Å; C2314-C2850 WeakPolarHBondContact CB-SG 3.34Å; C2314-C2850 WeakPolarHBondContact SG-CB 3.19Å; C2314-C2850 CovalentContact SG-SG 2.03Å; C2314-C2850 PolarHBondContact SG-SG 3.48Å; P2848-C2850 PolarHBondContact O-N 2.98Å; C2850-L2852 PolarHBondContact O-N 2.9Å | ||
| 2851 | P | 74.4 | Confident | 75.7 | Confident | 20 Ų | 20 | 60 Ų | 60 | 13% | 0.13 | 29% | 0.294 | C | S | . | . | trans | -74.6 | 122.3 | 176.8 | 26.8 | -30.4 | 0 | 0 | 0 | 110.2 | L2310 Y2849 | L2310-P2851 WeakPolarHBondContact CD2-O 3.36Å; Y2849-P2851 HydrophobicContact CD1-CB 4.43Å; Y2849-P2851 HydrophobicContact CD1-CG 4.45Å; Y2849-P2851 HydrophobicContact CE1-CB 3.66Å; Y2849-P2851 HydrophobicContact CE1-CG 4.09Å; Y2849-P2851 WeakPolarHBondContact O-CD 3.41Å | ||
| 2852 | L | 74.7 | Confident | 75.4 | Confident | 34 Ų | 34 | 60.3 Ų | 60.3 | 18% | 0.178 | 30% | 0.3 | C | S | . | . | trans | -109.3 | 52.9 | 180 | -70.9 | 165.9 | 0 | 0 | 0 | 110.6 | D1980 L2719 L2722 E2723 C2850 | D1980-L2852 VanDerWaalsContact OD1-O 3.13Å; D1980-L2852 WeakPolarHBondContact OD2-CA 3.47Å; D1980-L2852 PolarHBondContact OD2-N 2.72Å; L2719-L2852 HydrophobicContact CD2-CB 4.1Å; L2719-L2852 HydrophobicContact CD2-CD2 4Å; L2722-L2852 HydrophobicContact CD2-CD2 3.86Å; L2722-L2852 HydrophobicContact CG-CD2 4.27Å; E2723-L2852 HydrophobicContact CB-CD1 3.79Å; E2723-L2852 HydrophobicContact CG-CD1 3.82Å; C2850-L2852 PolarHBondContact O-N 2.9Å | ||
| 2853 | K | 73.4 | Confident | 75.3 | Confident | 96 Ų | 96 | 60.6 Ų | 60.6 | 42% | 0.417 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 136.1 | -177.1 | -53.7 | -170.8 | -172.3 | -151.5 | 0 | 111.2 | S1978 D1980 I2855 | S1978-K2853 WeakPolarHBondContact OG-CD 3.45Å; S1978-K2853 WeakPolarHBondContact OG-CE 2.99Å; S1978-K2853 WeakPolarHBondContact OG-CG 3.43Å; S1978-K2853 PolarHBondContact OG-NZ 3Å; D1980-K2853 PolarHBondContact OD2-N 3.33Å; K2853-I2855 PolarHBondContact O-N 3.32Å |
| 2854 | P | 71.4 | Confident | 74.9 | Confident | 62 Ų | 62 | 60 Ų | 60 | 40% | 0.403 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 136.7 | 176.3 | 26.6 | -33.5 | 0 | 0 | 0 | 110.9 | A2064 V2856 | A2064-P2854 HydrophobicContact CB-CG 4.47Å; P2854-V2856 PolarHBondContact O-N 2.92Å |
| 2855 | I | 80.1 | Confident | 74.7 | Confident | 7 Ų | 7 | 54.2 Ų | 54.2 | 4% | 0.036 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 117.1 | 177.3 | -58.4 | 149.5 | 0 | 0 | 0 | 108.2 | Q2303 V2307 A2711 L2714 N2715 L2719 K2853 | Q2303-I2855 HydrophobicContact CB-CG2 4.03Å; Q2303-I2855 HydrophobicContact CG-CG2 3.73Å; V2307-I2855 HydrophobicContact CG2-CD1 3.21Å; V2307-I2855 HydrophobicContact CG2-CG1 4.29Å; A2711-I2855 HydrophobicContact CB-CG2 4.34Å; L2714-I2855 HydrophobicContact CB-CD1 3.57Å; L2714-I2855 HydrophobicContact CD1-CD1 4.25Å; N2715-I2855 PolarHBondContact ND2-N 3.09Å; N2715-I2855 PolarHBondContact ND2-O 3.04Å; N2715-I2855 VanDerWaalsContact OD1-CB 3.3Å; N2715-I2855 WeakPolarHBondContact OD1-CB 3.44Å; N2715-I2855 WeakPolarHBondContact OD1-CD1 3.37Å; N2715-I2855 WeakPolarHBondContact OD1-CG1 3.32Å; N2715-I2855 PolarHBondContact OD1-N 3.17Å; L2719-I2855 HydrophobicContact CD1-CD1 3.42Å; L2719-I2855 VanDerWaalsContact CD1-CD1 3.42Å; L2719-I2855 HydrophobicContact CD1-CG1 3.89Å; K2853-I2855 PolarHBondContact O-N 3.32Å |
| 2856 | V | 77.1 | Confident | 74.6 | Confident | 40 Ų | 40 | 54.1 Ų | 54.1 | 24% | 0.242 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -95.5 | 126.4 | 179.4 | -179 | 0 | 0 | 0 | 0 | 109.8 | Q2066 E2070 R2302 P2854 | Q2066-V2856 HydrophobicContact CG-CG1 3.88Å; Q2066-V2856 HydrophobicContact CG-CG2 4.22Å; E2070-V2856 WeakPolarHBondContact OE2-CG1 3.27Å; R2302-V2856 PolarHBondContact NH2-O 3.43Å; P2854-V2856 PolarHBondContact O-N 2.92Å |
| 2857 | P | 77.5 | Confident | 74.6 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.019 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 129.2 | 178.3 | 28.2 | -31.4 | 0 | 0 | 0 | 112.6 | V2707 T2708 A2711 | V2707-P2857 HydrophobicContact CG1-CB 3.73Å; T2708-P2857 HydrophobicContact CG2-CB 4.11Å; T2708-P2857 HydrophobicContact CG2-CG 3.89Å; A2711-P2857 HydrophobicContact CB-CB 3.93Å; A2711-P2857 HydrophobicContact CB-CG 4.1Å |
| 2858 | K | 81.5 | Confident | 74.9 | Confident | 102 Ų | 102 | 50.5 Ų | 50.5 | 44% | 0.443 | 25% | 0.254 | S | S | . | . | trans | -91.1 | 109.7 | 172.9 | -58.5 | -174.1 | 176.2 | 179.3 | 0 | 111.6 | E2070 H2295 E2299 | E2070-K2858 WeakPolarHBondContact OE1-CA 3.28Å; E2070-K2858 WeakPolarHBondContact OE1-CG 3.45Å; H2295-K2858 PolarHBondContact NE2-O 2.98Å; H2295-K2858 VanDerWaalsContact NE2-O 3.08Å; E2299-K2858 PolarHBondContact OE1-N 3.43Å | ||
| 2859 | L | 77.3 | Confident | 75.3 | Confident | 11 Ų | 11 | 49.7 Ų | 49.7 | 6% | 0.058 | 25% | 0.247 | C | C | . | . | trans | -75.2 | 152.8 | -178.2 | -61.3 | 104.2 | 0 | 0 | 0 | 112.3 | E2070 L2073 N2704 T2708 K2861 | E2070-L2859 HydrophobicContact CB-CD1 3.97Å; E2070-L2859 HydrophobicContact CG-CD1 4.07Å; L2073-L2859 HydrophobicContact CB-CD2 4.46Å; L2073-L2859 HydrophobicContact CD2-CB 3.56Å; L2073-L2859 HydrophobicContact CD2-CD2 4.07Å; L2073-L2859 HydrophobicContact CD2-CG 4.31Å; N2704-L2859 HydrophobicContact CB-CD2 4.02Å; T2708-L2859 HydrophobicContact CG2-CD2 4.27Å; L2859-K2861 PolarHBondContact O-N 2.89Å | ||
| 2860 | F | 79.4 | Confident | 75.5 | Confident | 13 Ų | 13 | 47.4 Ų | 47.4 | 6% | 0.057 | 25% | 0.246 | C | C | . | . | trans | -71.8 | 117.4 | 176 | -172.7 | -103.6 | 0 | 0 | 0 | 110.4 | A2291 M2292 H2295 N2704 D2862 | A2291-F2860 HydrophobicContact CB-CZ 4.4Å; M2292-F2860 HydrophobicContact CG-CD1 3.88Å; M2292-F2860 HydrophobicContact CG-CE1 3.64Å; M2292-F2860 HydrophobicContact CG-CE2 4.34Å; M2292-F2860 HydrophobicContact CG-CG 4.31Å; M2292-F2860 HydrophobicContact CG-CZ 3.88Å; H2295-F2860 HydrophobicContact CB-CD2 3.75Å; H2295-F2860 HydrophobicContact CB-CE2 4.17Å; H2295-F2860 AromaticContact CD2-CD2 3.89Å; H2295-F2860 AromaticContact CG-CD2 3.7Å; N2704-F2860 PolarHBondContact OD1-N 2.73Å; F2860-D2862 HydrophobicContact CE1-CB 3.91Å; F2860-D2862 HydrophobicContact CE2-CB 4.25Å; F2860-D2862 HydrophobicContact CZ-CB 3.69Å | ||
| 2861 | K | 73.7 | Confident | 75.3 | Confident | 114 Ų | 114 | 50 Ų | 50 | 50% | 0.496 | 26% | 0.256 | S | S | . | . | trans | -96 | -18 | -175.1 | -65.2 | -173.9 | -179.6 | -177.8 | 0 | 114.3 | D2069 L2859 Y2863 | D2069-K2861 VanDerWaalsContact CB-NZ 3.28Å; D2069-K2861 IonicContact OD2-NZ 2.69Å; D2069-K2861 PolarHBondContact OD2-NZ 2.94Å; L2859-K2861 PolarHBondContact O-N 2.89Å; K2861-Y2863 PolarHBondContact O-N 2.72Å; K2861-Y2863 VanDerWaalsContact O-N 3.13Å | ||
| 2862 | D | 73.7 | Confident | 75.4 | Confident | 133 Ų | 133 | 49.3 Ų | 49.3 | 71% | 0.711 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -79.4 | 4.1 | -167.6 | -59.6 | -27.9 | 0 | 0 | 0 | 114.5 | F2860 | F2860-D2862 HydrophobicContact CE1-CB 3.91Å; F2860-D2862 HydrophobicContact CE2-CB 4.25Å; F2860-D2862 HydrophobicContact CZ-CB 3.69Å |
| 2863 | Y | 73.3 | Confident | 75.7 | Confident | 24 Ų | 24 | 48.3 Ų | 48.3 | 9% | 0.094 | 25% | 0.246 | C | C | . | . | trans | -111.5 | 111.8 | 179.5 | 177.8 | -104.3 | 0 | 0 | 0 | 111.9 | V2696 H2697 A2700 K2861 A2865 Y2868 | V2696-Y2863 HydrophobicContact CG1-CD2 4.13Å; V2696-Y2863 HydrophobicContact CG1-CE2 3.57Å; H2697-Y2863 WeakPolarHBondContact CA-OH 3.29Å; H2697-Y2863 WeakPolarHBondContact CB-OH 3.36Å; H2697-Y2863 AromaticContact ND1-CE1 3.51Å; H2697-Y2863 AromaticContact ND1-CZ 3.87Å; H2697-Y2863 PolarHBondContact ND1-OH 3.25Å; A2700-Y2863 HydrophobicContact CB-CD1 3.74Å; A2700-Y2863 HydrophobicContact CB-CE1 4.07Å; A2700-Y2863 HydrophobicContact CB-CG 4.21Å; K2861-Y2863 PolarHBondContact O-N 2.72Å; K2861-Y2863 VanDerWaalsContact O-N 3.13Å; Y2863-A2865 HydrophobicContact CE1-CB 4.16Å; Y2863-Y2868 HydrophobicContact CE2-CD1 4.37Å; Y2863-Y2868 HydrophobicContact CE2-CG 4.29Å | ||
| 2864 | N | 74.3 | Confident | 75.9 | Confident | 60 Ų | 60 | 48.8 Ų | 48.8 | 32% | 0.321 | 25% | 0.253 | S | S | . | . | trans | -110.3 | 113.6 | 170.3 | -172.6 | -22.9 | 0 | 0 | 0 | 109.9 | S2866 L2867 Y2868 | N2864-S2866 VanDerWaalsContact C-N 3.32Å; N2864-S2866 PolarHBondContact O-N 2.81Å; N2864-S2866 PolarHBondContact OD1-N 2.78Å; N2864-S2866 VanDerWaalsContact OD1-N 3.13Å; N2864-S2866 PolarHBondContact OD1-OG 2.82Å; N2864-L2867 HydrophobicContact CB-CB 4.09Å; N2864-L2867 PolarHBondContact O-N 3.1Å; N2864-Y2868 WeakPolarHBondContact O-CB 3.4Å; N2864-Y2868 PolarHBondContact O-N 2.97Å | ||
| 2865 | A | 70 | Confident | 76 | Confident | 5 Ų | 5 | 48.4 Ų | 48.4 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.9 | -38.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y2863 F2869 | Y2863-A2865 HydrophobicContact CE1-CB 4.16Å; A2865-F2869 VanDerWaalsContact O-CB 3.3Å; A2865-F2869 WeakPolarHBondContact O-CB 3.48Å; A2865-F2869 PolarHBondContact O-N 2.91Å |
| 2866 | S | 71.6 | Confident | 75.8 | Confident | 22 Ų | 22 | 48.3 Ų | 48.3 | 15% | 0.154 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.7 | -45.2 | -179.6 | 67.1 | 0 | 0 | 0 | 0 | 112.3 | N2864 F2869 T2870 | N2864-S2866 VanDerWaalsContact C-N 3.32Å; N2864-S2866 PolarHBondContact O-N 2.81Å; N2864-S2866 PolarHBondContact OD1-N 2.78Å; N2864-S2866 VanDerWaalsContact OD1-N 3.13Å; N2864-S2866 PolarHBondContact OD1-OG 2.82Å; S2866-F2869 PolarHBondContact O-N 3.32Å; S2866-T2870 WeakPolarHBondContact O-CG2 3.36Å; S2866-T2870 PolarHBondContact O-N 2.82Å; S2866-T2870 PolarHBondContact O-OG1 2.9Å; S2866-T2870 VanDerWaalsContact O-OG1 3.13Å |
| 2867 | L | 73.1 | Confident | 75.9 | Confident | 110 Ų | 110 | 52 Ų | 52 | 58% | 0.576 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -68.1 | -40.3 | -179.2 | -127.8 | 164 | 0 | 0 | 0 | 111.2 | N2864 T2870 E2871 | N2864-L2867 HydrophobicContact CB-CB 4.09Å; N2864-L2867 PolarHBondContact O-N 3.1Å; L2867-T2870 PolarHBondContact O-OG1 2.86Å; L2867-E2871 WeakPolarHBondContact O-CB 3.07Å; L2867-E2871 PolarHBondContact O-N 3.3Å |
| 2868 | Y | 76.5 | Confident | 75.8 | Confident | 21 Ų | 21 | 58.8 Ų | 58.8 | 8% | 0.082 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.9 | -42.8 | 175.9 | -175.2 | -103.8 | 0 | 0 | 0 | 112.1 | L2288 V2693 V2696 Y2863 N2864 E2871 V2872 | L2288-Y2868 HydrophobicContact CD1-CD2 3.94Å; L2288-Y2868 HydrophobicContact CD1-CE2 3.78Å; V2693-Y2868 HydrophobicContact CB-CD1 4.47Å; V2693-Y2868 HydrophobicContact CB-CE1 4.29Å; V2693-Y2868 HydrophobicContact CG1-CD1 3.74Å; V2693-Y2868 HydrophobicContact CG1-CE1 3.93Å; V2693-Y2868 HydrophobicContact CG2-CD1 4.09Å; V2693-Y2868 HydrophobicContact CG2-CE1 3.93Å; V2696-Y2868 HydrophobicContact CB-CE1 4.39Å; V2696-Y2868 HydrophobicContact CG2-CE1 4.38Å; Y2863-Y2868 HydrophobicContact CE2-CD1 4.37Å; Y2863-Y2868 HydrophobicContact CE2-CG 4.29Å; N2864-Y2868 WeakPolarHBondContact O-CB 3.4Å; N2864-Y2868 PolarHBondContact O-N 2.97Å; Y2868-E2871 PolarHBondContact O-N 3.36Å; Y2868-V2872 HydrophobicContact CD1-CG2 4.29Å; Y2868-V2872 HydrophobicContact CE1-CG2 3.94Å; Y2868-V2872 HydrophobicContact CE2-CG2 4.36Å; Y2868-V2872 WeakPolarHBondContact O-CG2 3.44Å; Y2868-V2872 PolarHBondContact O-N 3.04Å |
| 2869 | F | 77.5 | Confident | 75.6 | Confident | 22 Ų | 22 | 57.5 Ų | 57.5 | 10% | 0.096 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.3 | -47.2 | 177.1 | -178.4 | -92.9 | 0 | 0 | 0 | 111.8 | A2098 V2693 A2865 S2866 E2871 V2872 V2873 | A2098-F2869 HydrophobicContact CB-CB 4.31Å; V2693-F2869 HydrophobicContact CG2-CD2 4.27Å; A2865-F2869 VanDerWaalsContact O-CB 3.3Å; A2865-F2869 WeakPolarHBondContact O-CB 3.48Å; A2865-F2869 PolarHBondContact O-N 2.91Å; S2866-F2869 PolarHBondContact O-N 3.32Å; F2869-E2871 VanDerWaalsContact C-N 3.28Å; F2869-E2871 PolarHBondContact O-N 2.99Å; F2869-V2872 PolarHBondContact O-N 3.4Å; F2869-V2873 HydrophobicContact CD1-CG2 4.1Å; F2869-V2873 HydrophobicContact CE1-CG2 3.76Å; F2869-V2873 HydrophobicContact CE2-CG2 4.46Å; F2869-V2873 HydrophobicContact CZ-CG2 3.96Å; F2869-V2873 WeakPolarHBondContact O-CB 3.35Å; F2869-V2873 VanDerWaalsContact O-CG2 3.26Å; F2869-V2873 WeakPolarHBondContact O-CG2 3.42Å; F2869-V2873 PolarHBondContact O-N 2.85Å |
| 2870 | T | 74.9 | Confident | 75.7 | Confident | 73 Ų | 73 | 57.1 Ų | 57.1 | 45% | 0.448 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.8 | -36.2 | 178.7 | 48.8 | 0 | 0 | 0 | 0 | 112.8 | S2866 L2867 L2874 | S2866-T2870 WeakPolarHBondContact O-CG2 3.36Å; S2866-T2870 PolarHBondContact O-N 2.82Å; S2866-T2870 PolarHBondContact O-OG1 2.9Å; S2866-T2870 VanDerWaalsContact O-OG1 3.13Å; L2867-T2870 PolarHBondContact O-OG1 2.86Å; T2870-L2874 WeakPolarHBondContact O-CB 3.49Å; T2870-L2874 PolarHBondContact O-N 2.92Å |
| 2871 | E | 77.1 | Confident | 75.7 | Confident | 78 Ų | 78 | 58.8 Ų | 58.8 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -68 | -45.7 | 178.4 | -172.1 | 65.4 | -160.4 | 0 | 0 | 111.5 | L2867 Y2868 F2869 V2873 L2874 Q2875 | L2867-E2871 WeakPolarHBondContact O-CB 3.07Å; L2867-E2871 PolarHBondContact O-N 3.3Å; Y2868-E2871 PolarHBondContact O-N 3.36Å; F2869-E2871 VanDerWaalsContact C-N 3.28Å; F2869-E2871 PolarHBondContact O-N 2.99Å; E2871-V2873 VanDerWaalsContact C-N 3.28Å; E2871-V2873 PolarHBondContact O-N 2.93Å; E2871-L2874 PolarHBondContact O-N 3.13Å; E2871-Q2875 WeakPolarHBondContact O-CG 3.49Å; E2871-Q2875 PolarHBondContact O-N 3.36Å |
| 2872 | V | 76.3 | Confident | 76 | Confident | 6 Ų | 6 | 54.2 Ų | 54.2 | 4% | 0.036 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.2 | -41.6 | 177 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | W2267 Y2689 V2693 Y2868 F2869 Q2875 S2876 | W2267-V2872 HydrophobicContact CH2-CG1 4Å; W2267-V2872 HydrophobicContact CZ3-CG1 3.98Å; Y2689-V2872 HydrophobicContact CD1-CG1 4.2Å; V2693-V2872 HydrophobicContact CG2-CG2 4.36Å; Y2868-V2872 HydrophobicContact CD1-CG2 4.29Å; Y2868-V2872 HydrophobicContact CE1-CG2 3.94Å; Y2868-V2872 HydrophobicContact CE2-CG2 4.36Å; Y2868-V2872 WeakPolarHBondContact O-CG2 3.44Å; Y2868-V2872 PolarHBondContact O-N 3.04Å; F2869-V2872 PolarHBondContact O-N 3.4Å; V2872-Q2875 PolarHBondContact O-N 2.9Å; V2872-S2876 PolarHBondContact O-N 3.46Å; V2872-S2876 VanDerWaalsContact O-N 3.15Å |
| 2873 | V | 79.6 | Confident | 76.3 | Confident | 12 Ų | 12 | 48.4 Ų | 48.4 | 7% | 0.073 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.2 | -46.9 | 176.9 | 168.7 | 0 | 0 | 0 | 0 | 111.4 | Q2680 Y2689 F2869 E2871 Q2875 S2876 E2877 | Q2680-V2873 HydrophobicContact CG-CG1 3.81Å; Y2689-V2873 HydrophobicContact CD1-CG2 4.02Å; Y2689-V2873 HydrophobicContact CD2-CG2 4.27Å; Y2689-V2873 HydrophobicContact CE1-CG2 4.14Å; Y2689-V2873 HydrophobicContact CE2-CG2 4.4Å; Y2689-V2873 HydrophobicContact CG-CG2 4.08Å; F2869-V2873 HydrophobicContact CD1-CG2 4.1Å; F2869-V2873 HydrophobicContact CE1-CG2 3.76Å; F2869-V2873 HydrophobicContact CE2-CG2 4.46Å; F2869-V2873 HydrophobicContact CZ-CG2 3.96Å; F2869-V2873 WeakPolarHBondContact O-CB 3.35Å; F2869-V2873 VanDerWaalsContact O-CG2 3.26Å; F2869-V2873 WeakPolarHBondContact O-CG2 3.42Å; F2869-V2873 PolarHBondContact O-N 2.85Å; E2871-V2873 VanDerWaalsContact C-N 3.28Å; E2871-V2873 PolarHBondContact O-N 2.93Å; V2873-Q2875 VanDerWaalsContact C-N 3.35Å; V2873-Q2875 PolarHBondContact O-N 3.39Å; V2873-S2876 PolarHBondContact O-N 2.94Å; V2873-S2876 VanDerWaalsContact O-N 3.14Å; V2873-S2876 PolarHBondContact O-OG 2.88Å; V2873-E2877 PolarHBondContact O-N 3.49Å |
| 2874 | L | 77.3 | Confident | 76.7 | Confident | 106 Ų | 106 | 50.1 Ų | 50.1 | 56% | 0.555 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -59.8 | -42.2 | 176.4 | -98.3 | 160.2 | 0 | 0 | 0 | 112.5 | T2870 E2871 S2876 E2877 | T2870-L2874 WeakPolarHBondContact O-CB 3.49Å; T2870-L2874 PolarHBondContact O-N 2.92Å; E2871-L2874 PolarHBondContact O-N 3.13Å; L2874-S2876 VanDerWaalsContact C-N 3.26Å; L2874-S2876 PolarHBondContact O-N 3.29Å; L2874-E2877 WeakPolarHBondContact O-CB 3.44Å; L2874-E2877 PolarHBondContact O-N 2.97Å |
| 2875 | Q | 73.8 | Confident | 76.9 | Confident | 54 Ų | 54 | 49.4 Ų | 49.4 | 25% | 0.252 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.8 | -31.6 | 177.4 | -74.1 | -171.6 | -22.7 | 0 | 0 | 112.5 | W2267 T2280 E2871 V2872 V2873 E2877 | W2267-Q2875 HydrophobicContact CH2-CB 3.83Å; W2267-Q2875 HydrophobicContact CZ2-CB 3.56Å; T2280-Q2875 PolarHBondContact OG1-NE2 3.31Å; T2280-Q2875 VanDerWaalsContact OG1-NE2 3.12Å; E2871-Q2875 WeakPolarHBondContact O-CG 3.49Å; E2871-Q2875 PolarHBondContact O-N 3.36Å; V2872-Q2875 PolarHBondContact O-N 2.9Å; V2873-Q2875 VanDerWaalsContact C-N 3.35Å; V2873-Q2875 PolarHBondContact O-N 3.39Å; Q2875-E2877 VanDerWaalsContact C-N 3.32Å; Q2875-E2877 PolarHBondContact O-N 3.39Å |
| 2876 | S | 77.1 | Confident | 77.5 | Confident | 6 Ų | 6 | 51.4 Ų | 51.4 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -73.3 | -20.7 | -179.3 | 76.9 | 0 | 0 | 0 | 0 | 114 | Y2689 V2872 V2873 L2874 K2878 W2879 L2880 | Y2689-S2876 VanDerWaalsContact CE1-OG 3.28Å; Y2689-S2876 WeakPolarHBondContact CE1-OG 3.3Å; Y2689-S2876 PolarHBondContact OH-OG 3.28Å; V2872-S2876 PolarHBondContact O-N 3.46Å; V2872-S2876 VanDerWaalsContact O-N 3.15Å; V2873-S2876 PolarHBondContact O-N 2.94Å; V2873-S2876 VanDerWaalsContact O-N 3.14Å; V2873-S2876 PolarHBondContact O-OG 2.88Å; L2874-S2876 VanDerWaalsContact C-N 3.26Å; L2874-S2876 PolarHBondContact O-N 3.29Å; S2876-K2878 VanDerWaalsContact C-N 3.29Å; S2876-K2878 PolarHBondContact O-N 2.89Å; S2876-W2879 PolarHBondContact O-N 2.98Å; S2876-W2879 VanDerWaalsContact O-N 3.16Å; S2876-L2880 WeakPolarHBondContact O-CB 3.49Å; S2876-L2880 PolarHBondContact O-N 3.23Å |
| 2877 | E | 78.1 | Confident | 78.1 | Confident | 117 Ų | 117 | 53.5 Ų | 53.5 | 55% | 0.547 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.9 | -38.3 | -177.4 | -171.5 | 178.7 | -178.7 | 0 | 0 | 112.2 | V2873 L2874 Q2875 L2880 S2881 | V2873-E2877 PolarHBondContact O-N 3.49Å; L2874-E2877 WeakPolarHBondContact O-CB 3.44Å; L2874-E2877 PolarHBondContact O-N 2.97Å; Q2875-E2877 VanDerWaalsContact C-N 3.32Å; Q2875-E2877 PolarHBondContact O-N 3.39Å; E2877-L2880 PolarHBondContact O-N 3.45Å; E2877-S2881 WeakPolarHBondContact O-CB 3.49Å; E2877-S2881 PolarHBondContact O-N 3.21Å; E2877-S2881 PolarHBondContact O-OG 3.27Å |
| 2878 | K | 75.2 | Confident | 78.5 | Confident | 145 Ų | 145 | 48.5 Ų | 48.5 | 63% | 0.63 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -70 | -34.6 | 178.7 | -162.3 | 172.2 | -174.9 | 177 | 0 | 112.5 | L2264 S2876 S2881 T2882 | L2264-K2878 HydrophobicContact CD2-CD 4.1Å; L2264-K2878 HydrophobicContact CD2-CG 4.12Å; S2876-K2878 VanDerWaalsContact C-N 3.29Å; S2876-K2878 PolarHBondContact O-N 2.89Å; K2878-S2881 WeakPolarHBondContact CA-OG 3.35Å; K2878-S2881 PolarHBondContact O-OG 3.27Å; K2878-S2881 VanDerWaalsContact O-OG 3.05Å; K2878-T2882 PolarHBondContact O-N 2.91Å; K2878-T2882 PolarHBondContact O-OG1 2.99Å |
| 2879 | W | 78.5 | Confident | 78.7 | Confident | 75 Ų | 75 | 51.8 Ų | 51.8 | 28% | 0.284 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -72.4 | -46 | 173.8 | -178.7 | 89.3 | 0 | 0 | 0 | 111 | S2876 S2881 T2882 A2883 | S2876-W2879 PolarHBondContact O-N 2.98Å; S2876-W2879 VanDerWaalsContact O-N 3.16Å; W2879-S2881 PolarHBondContact O-N 3.42Å; W2879-T2882 PolarHBondContact O-N 3Å; W2879-A2883 HydrophobicContact CH2-CB 4.4Å; W2879-A2883 HydrophobicContact CZ3-CB 4.41Å; W2879-A2883 WeakPolarHBondContact O-CB 3.3Å; W2879-A2883 PolarHBondContact O-N 3.02Å |
| 2880 | L | 78.8 | Confident | 79 | Confident | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.3 | -44.4 | 179.2 | -88.7 | 158.1 | 0 | 0 | 0 | 112.7 | L2678 L2683 Y2689 S2876 E2877 A2883 R2884 | L2678-L2880 HydrophobicContact CB-CD2 4.13Å; L2678-L2880 HydrophobicContact CD2-CD2 3.91Å; L2678-L2880 VanDerWaalsContact O-CD2 3.29Å; L2678-L2880 WeakPolarHBondContact O-CD2 3.4Å; L2683-L2880 HydrophobicContact CD1-CD1 4.36Å; L2683-L2880 HydrophobicContact CD1-CD2 3.59Å; L2683-L2880 HydrophobicContact CD2-CD2 4.49Å; Y2689-L2880 WeakPolarHBondContact OH-CD1 3.4Å; S2876-L2880 WeakPolarHBondContact O-CB 3.49Å; S2876-L2880 PolarHBondContact O-N 3.23Å; E2877-L2880 PolarHBondContact O-N 3.45Å; L2880-A2883 PolarHBondContact O-N 3.46Å; L2880-R2884 VanDerWaalsContact O-CG 3.31Å; L2880-R2884 WeakPolarHBondContact O-CG 3.34Å; L2880-R2884 PolarHBondContact O-N 2.95Å |
| 2881 | S | 78.9 | Confident | 79.4 | Confident | 48 Ų | 48 | 51.7 Ų | 51.7 | 34% | 0.336 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.5 | -47.1 | 176.4 | 47.6 | 0 | 0 | 0 | 0 | 112 | E2877 K2878 W2879 A2883 R2884 D2885 | E2877-S2881 WeakPolarHBondContact O-CB 3.49Å; E2877-S2881 PolarHBondContact O-N 3.21Å; E2877-S2881 PolarHBondContact O-OG 3.27Å; K2878-S2881 WeakPolarHBondContact CA-OG 3.35Å; K2878-S2881 PolarHBondContact O-OG 3.27Å; K2878-S2881 VanDerWaalsContact O-OG 3.05Å; W2879-S2881 PolarHBondContact O-N 3.42Å; S2881-A2883 VanDerWaalsContact C-N 3.32Å; S2881-A2883 PolarHBondContact O-N 2.81Å; S2881-R2884 PolarHBondContact O-N 3.28Å; S2881-D2885 PolarHBondContact O-N 2.86Å |
| 2882 | T | 79.7 | Confident | 79.7 | Confident | 18 Ų | 18 | 50.9 Ų | 50.9 | 11% | 0.11 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.8 | -33.6 | 179.7 | -40.9 | 0 | 0 | 0 | 0 | 112 | Y2257 K2260 L2261 L2264 K2878 W2879 D2885 Y2886 | Y2257-T2882 HydrophobicContact CD1-CG2 4.33Å; K2260-T2882 HydrophobicContact CB-CG2 4Å; L2261-T2882 HydrophobicContact CD1-CG2 3.37Å; L2264-T2882 HydrophobicContact CD1-CG2 4.06Å; L2264-T2882 WeakPolarHBondContact CD1-OG1 3.34Å; K2878-T2882 PolarHBondContact O-N 2.91Å; K2878-T2882 PolarHBondContact O-OG1 2.99Å; W2879-T2882 PolarHBondContact O-N 3Å; T2882-D2885 WeakPolarHBondContact O-CB 3.5Å; T2882-D2885 PolarHBondContact O-N 2.92Å; T2882-Y2886 PolarHBondContact O-N 3.44Å |
| 2883 | A | 81 | Confident | 80 | Confident | 12 Ų | 12 | 51.1 Ų | 51.1 | 10% | 0.099 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.6 | -39.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | W2879 L2880 S2881 D2885 Y2886 L2887 | W2879-A2883 HydrophobicContact CH2-CB 4.4Å; W2879-A2883 HydrophobicContact CZ3-CB 4.41Å; W2879-A2883 WeakPolarHBondContact O-CB 3.3Å; W2879-A2883 PolarHBondContact O-N 3.02Å; L2880-A2883 PolarHBondContact O-N 3.46Å; S2881-A2883 VanDerWaalsContact C-N 3.32Å; S2881-A2883 PolarHBondContact O-N 2.81Å; A2883-D2885 VanDerWaalsContact C-N 3.34Å; A2883-Y2886 PolarHBondContact O-N 3.33Å; A2883-L2887 WeakPolarHBondContact O-CB 3.21Å; A2883-L2887 PolarHBondContact O-N 3.48Å |
| 2884 | R | 80.6 | Confident | 80.2 | Confident | 60 Ų | 60 | 51.8 Ų | 51.8 | 23% | 0.226 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.8 | -43.7 | 171.5 | -72 | 177.9 | -154.5 | 146.1 | 7 | 111.1 | L2674 L2678 L2880 S2881 L2887 G2888 | L2674-R2884 WeakPolarHBondContact CD2-O 3.48Å; L2678-R2884 HydrophobicContact CB-CG 3.78Å; L2678-R2884 HydrophobicContact CD1-CG 4.2Å; L2678-R2884 PolarHBondContact O-NE 3.31Å; L2678-R2884 PolarHBondContact O-NH2 3.45Å; L2880-R2884 VanDerWaalsContact O-CG 3.31Å; L2880-R2884 WeakPolarHBondContact O-CG 3.34Å; L2880-R2884 PolarHBondContact O-N 2.95Å; S2881-R2884 PolarHBondContact O-N 3.28Å; R2884-L2887 PolarHBondContact O-N 2.85Å; R2884-G2888 PolarHBondContact O-N 2.98Å |
| 2885 | D | 79.7 | Confident | 80.6 | Confident | 44 Ų | 44 | 47 Ų | 47 | 24% | 0.235 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.7 | -47.6 | 176.3 | -84.8 | -39.7 | 0 | 0 | 0 | 112.8 | F2151 Y2257 S2881 T2882 A2883 R2889 | F2151-D2885 HydrophobicContact CE1-CB 4.38Å; F2151-D2885 WeakPolarHBondContact CE1-OD1 3.26Å; F2151-D2885 WeakPolarHBondContact CZ-OD1 3.4Å; Y2257-D2885 HydrophobicContact CD1-CB 3.53Å; Y2257-D2885 HydrophobicContact CE1-CB 3.5Å; Y2257-D2885 VanDerWaalsContact CE1-CB 3.5Å; Y2257-D2885 HydrophobicContact CG-CB 4.49Å; S2881-D2885 PolarHBondContact O-N 2.86Å; T2882-D2885 WeakPolarHBondContact O-CB 3.5Å; T2882-D2885 PolarHBondContact O-N 2.92Å; A2883-D2885 VanDerWaalsContact C-N 3.34Å; D2885-R2889 WeakPolarHBondContact O-CG 3.39Å; D2885-R2889 PolarHBondContact O-N 2.9Å; D2885-R2889 VanDerWaalsContact O-N 3.14Å |
| 2886 | Y | 83.2 | Confident | 81.1 | Confident | 48 Ų | 48 | 48.4 Ų | 48.4 | 19% | 0.188 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.2 | -52.5 | 177.5 | 176 | -87.6 | 0 | 0 | 0 | 111.3 | T2254 D2258 T2882 A2883 G2888 R2889 F2890 | T2254-Y2886 HydrophobicContact CG2-CD2 4.16Å; T2254-Y2886 HydrophobicContact CG2-CE2 4Å; D2258-Y2886 HydrophobicContact CB-CD2 4.4Å; D2258-Y2886 HydrophobicContact CB-CE2 3.98Å; T2882-Y2886 PolarHBondContact O-N 3.44Å; A2883-Y2886 PolarHBondContact O-N 3.33Å; Y2886-G2888 PolarHBondContact O-N 3.37Å; Y2886-R2889 PolarHBondContact O-N 3.37Å; Y2886-F2890 WeakPolarHBondContact O-CB 3.27Å; Y2886-F2890 PolarHBondContact O-N 3.17Å |
| 2887 | L | 82.4 | Confident | 81.4 | Confident | 65 Ų | 65 | 50 Ų | 50 | 34% | 0.34 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -72.1 | -32.8 | -173.6 | -164.3 | 64.7 | 0 | 0 | 0 | 111.8 | L2674 L2678 A2883 R2884 F2890 L2891 | L2674-L2887 HydrophobicContact CD1-CB 4.29Å; L2674-L2887 HydrophobicContact CD1-CD2 3.59Å; L2674-L2887 HydrophobicContact CD1-CG 3.85Å; L2674-L2887 HydrophobicContact CD2-CB 4.22Å; L2674-L2887 HydrophobicContact CG-CD2 4.47Å; L2678-L2887 HydrophobicContact CD1-CD2 4Å; A2883-L2887 WeakPolarHBondContact O-CB 3.21Å; A2883-L2887 PolarHBondContact O-N 3.48Å; R2884-L2887 PolarHBondContact O-N 2.85Å; L2887-F2890 HydrophobicContact CD1-CD1 4.41Å; L2887-F2890 PolarHBondContact O-N 3.29Å; L2887-L2891 WeakPolarHBondContact O-CG 3.48Å; L2887-L2891 PolarHBondContact O-N 3.05Å |
| 2888 | G | 81.7 | Confident | 81.7 | Confident | 5 Ų | 5 | 46.2 Ų | 46.2 | 5% | 0.052 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.6 | -44.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R2884 Y2886 L2891 F2892 | R2884-G2888 PolarHBondContact O-N 2.98Å; Y2886-G2888 PolarHBondContact O-N 3.37Å; G2888-L2891 PolarHBondContact O-N 3.39Å; G2888-F2892 WeakPolarHBondContact O-CB 3.33Å; G2888-F2892 PolarHBondContact O-N 3.18Å |
| 2889 | R | 81 | Confident | 82.1 | Confident | 91 Ų | 91 | 39.5 Ų | 39.5 | 34% | 0.343 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -67.5 | -38.9 | 176.6 | -72.3 | 176.8 | 176.4 | -123.7 | -2.1 | 112.4 | Y2257 D2885 Y2886 F2892 C2893 | Y2257-R2889 VanDerWaalsContact CE2-CD 3.49Å; Y2257-R2889 VanDerWaalsContact CE2-NH1 3.32Å; Y2257-R2889 VanDerWaalsContact CZ-CZ 3.44Å; Y2257-R2889 PolarHBondContact OH-NE 3.19Å; Y2257-R2889 PolarHBondContact OH-NH2 3.4Å; D2885-R2889 WeakPolarHBondContact O-CG 3.39Å; D2885-R2889 PolarHBondContact O-N 2.9Å; D2885-R2889 VanDerWaalsContact O-N 3.14Å; Y2886-R2889 PolarHBondContact O-N 3.37Å; R2889-F2892 PolarHBondContact O-N 2.93Å; R2889-C2893 PolarHBondContact O-N 3.37Å; R2889-C2893 VanDerWaalsContact O-N 3.07Å; R2889-C2893 PolarHBondContact O-SG 3.3Å |
| 2890 | F | 84.7 | Confident | 82.3 | Confident | 69 Ų | 69 | 38.3 Ų | 38.3 | 30% | 0.303 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -57 | -52.7 | 173.1 | 176.2 | -91.8 | 0 | 0 | 0 | 111.6 | I2250 T2254 Y2886 L2887 F2892 C2893 V2894 | I2250-F2890 HydrophobicContact CD1-CD2 4.13Å; I2250-F2890 HydrophobicContact CD1-CE2 3.78Å; I2250-F2890 HydrophobicContact CG1-CD2 4.45Å; I2250-F2890 HydrophobicContact CG2-CD2 3.55Å; I2250-F2890 HydrophobicContact CG2-CE2 3.95Å; T2254-F2890 HydrophobicContact CG2-CB 4.49Å; Y2886-F2890 WeakPolarHBondContact O-CB 3.27Å; Y2886-F2890 PolarHBondContact O-N 3.17Å; L2887-F2890 HydrophobicContact CD1-CD1 4.41Å; L2887-F2890 PolarHBondContact O-N 3.29Å; F2890-F2892 VanDerWaalsContact C-N 3.28Å; F2890-F2892 PolarHBondContact O-N 3.49Å; F2890-C2893 PolarHBondContact O-N 3.2Å; F2890-V2894 HydrophobicContact CD1-CG2 4.5Å; F2890-V2894 HydrophobicContact CE1-CG2 4.11Å; F2890-V2894 HydrophobicContact CZ-CG2 4.22Å; F2890-V2894 WeakPolarHBondContact O-CG2 3.49Å; F2890-V2894 PolarHBondContact O-N 3.35Å; F2890-V2894 VanDerWaalsContact O-N 3.16Å |
| 2891 | L | 83.4 | Confident | 82.5 | Confident | 23 Ų | 23 | 39.7 Ų | 39.7 | 12% | 0.12 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.8 | -34.6 | 179.5 | -70.8 | 173.7 | 0 | 0 | 0 | 112.4 | V2667 A2670 L2674 L2887 G2888 V2894 F2895 | V2667-L2891 WeakPolarHBondContact CG1-O 3.46Å; A2670-L2891 HydrophobicContact CB-CD1 4.09Å; A2670-L2891 HydrophobicContact CB-CD2 4.43Å; L2674-L2891 HydrophobicContact CD1-CD1 3.75Å; L2887-L2891 WeakPolarHBondContact O-CG 3.48Å; L2887-L2891 PolarHBondContact O-N 3.05Å; G2888-L2891 PolarHBondContact O-N 3.39Å; L2891-V2894 PolarHBondContact O-N 2.94Å; L2891-F2895 WeakPolarHBondContact O-CB 3.48Å; L2891-F2895 PolarHBondContact O-N 2.97Å |
| 2892 | F | 82.9 | Confident | 82.6 | Confident | 61 Ų | 61 | 38.2 Ų | 38.2 | 27% | 0.268 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.7 | -44.6 | 175.6 | -178.3 | -105.9 | 0 | 0 | 0 | 113 | P2153 G2888 R2889 F2890 V2894 F2895 I2896 | P2153-F2892 HydrophobicContact CB-CD2 3.75Å; P2153-F2892 HydrophobicContact CB-CE2 3.83Å; G2888-F2892 WeakPolarHBondContact O-CB 3.33Å; G2888-F2892 PolarHBondContact O-N 3.18Å; R2889-F2892 PolarHBondContact O-N 2.93Å; F2890-F2892 VanDerWaalsContact C-N 3.28Å; F2890-F2892 PolarHBondContact O-N 3.49Å; F2892-V2894 VanDerWaalsContact C-N 3.32Å; F2892-V2894 PolarHBondContact O-N 2.67Å; F2892-F2895 WeakPolarHBondContact O-CB 3.49Å; F2892-F2895 PolarHBondContact O-N 3.31Å; F2892-I2896 HydrophobicContact CD1-CD1 4.03Å; F2892-I2896 HydrophobicContact CE1-CD1 3.38Å; F2892-I2896 HydrophobicContact CE1-CG1 4.37Å; F2892-I2896 HydrophobicContact CE2-CD1 4.18Å; F2892-I2896 HydrophobicContact CE2-CG1 4.5Å; F2892-I2896 HydrophobicContact CZ-CD1 3.49Å; F2892-I2896 VanDerWaalsContact CZ-CD1 3.49Å; F2892-I2896 HydrophobicContact CZ-CG1 4.26Å; F2892-I2896 PolarHBondContact O-N 3.22Å; F2892-I2896 VanDerWaalsContact O-N 3.08Å |
| 2893 | C | 82.8 | Confident | 82.8 | Confident | 12 Ų | 12 | 39.3 Ų | 39.3 | 8% | 0.081 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.7 | -42.5 | 175.5 | -72 | 0 | 0 | 0 | 0 | 111.8 | I2250 R2889 F2890 I2896 Y2897 | I2250-C2893 HydrophobicContact CG1-CB 3.85Å; R2889-C2893 PolarHBondContact O-N 3.37Å; R2889-C2893 VanDerWaalsContact O-N 3.07Å; R2889-C2893 PolarHBondContact O-SG 3.3Å; F2890-C2893 PolarHBondContact O-N 3.2Å; C2893-I2896 PolarHBondContact O-N 3.41Å; C2893-Y2897 WeakPolarHBondContact O-CB 3.45Å; C2893-Y2897 PolarHBondContact O-N 2.96Å; C2893-Y2897 VanDerWaalsContact O-N 3.1Å |
| 2894 | V | 84.4 | Confident | 83 | Confident | 26 Ų | 26 | 43.2 Ų | 43.2 | 16% | 0.158 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.3 | -41.8 | 176.2 | 175.2 | 0 | 0 | 0 | 0 | 111 | I2250 V2667 F2890 L2891 F2892 Y2897 I2898 | I2250-V2894 HydrophobicContact CD1-CG2 4.21Å; V2667-V2894 HydrophobicContact CG2-CG1 4.1Å; F2890-V2894 HydrophobicContact CD1-CG2 4.5Å; F2890-V2894 HydrophobicContact CE1-CG2 4.11Å; F2890-V2894 HydrophobicContact CZ-CG2 4.22Å; F2890-V2894 WeakPolarHBondContact O-CG2 3.49Å; F2890-V2894 PolarHBondContact O-N 3.35Å; F2890-V2894 VanDerWaalsContact O-N 3.16Å; L2891-V2894 PolarHBondContact O-N 2.94Å; F2892-V2894 VanDerWaalsContact C-N 3.32Å; F2892-V2894 PolarHBondContact O-N 2.67Å; V2894-Y2897 PolarHBondContact O-N 3.19Å; V2894-I2898 HydrophobicContact CG1-CD1 3.66Å; V2894-I2898 HydrophobicContact CG1-CG1 4.34Å; V2894-I2898 WeakPolarHBondContact O-CG1 3.34Å; V2894-I2898 PolarHBondContact O-N 3.45Å |
| 2895 | F | 84.9 | Confident | 83 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.7 | -47.9 | 177.4 | 178 | -97.1 | 0 | 0 | 0 | 112.6 | P2153 I2157 V2158 L2664 V2667 T2668 L2891 F2892 Y2897 S2899 | P2153-F2895 HydrophobicContact CB-CD1 3.76Å; P2153-F2895 HydrophobicContact CB-CE1 3.94Å; P2153-F2895 HydrophobicContact CB-CG 4.32Å; P2153-F2895 HydrophobicContact CG-CD1 3.91Å; P2153-F2895 HydrophobicContact CG-CD2 4.27Å; P2153-F2895 HydrophobicContact CG-CE1 4.19Å; P2153-F2895 HydrophobicContact CG-CG 3.97Å; P2153-F2895 HydrophobicContact CG-CZ 4.5Å; I2157-F2895 HydrophobicContact CG2-CE1 4.23Å; V2158-F2895 HydrophobicContact CB-CZ 4.23Å; V2158-F2895 HydrophobicContact CG1-CZ 4.26Å; V2158-F2895 HydrophobicContact CG2-CE1 4.19Å; V2158-F2895 HydrophobicContact CG2-CE2 4.27Å; V2158-F2895 HydrophobicContact CG2-CZ 3.76Å; L2664-F2895 HydrophobicContact CD2-CD2 3.86Å; L2664-F2895 HydrophobicContact CD2-CE2 3.52Å; L2664-F2895 HydrophobicContact CD2-CZ 4.29Å; V2667-F2895 HydrophobicContact CG1-CB 3.8Å; V2667-F2895 HydrophobicContact CG1-CD2 4.35Å; T2668-F2895 HydrophobicContact CG2-CD2 3.96Å; T2668-F2895 HydrophobicContact CG2-CE2 3.67Å; L2891-F2895 WeakPolarHBondContact O-CB 3.48Å; L2891-F2895 PolarHBondContact O-N 2.97Å; F2892-F2895 WeakPolarHBondContact O-CB 3.49Å; F2892-F2895 PolarHBondContact O-N 3.31Å; F2895-Y2897 VanDerWaalsContact C-N 3.33Å; F2895-Y2897 PolarHBondContact O-N 3.18Å; F2895-S2899 VanDerWaalsContact O-CB 3.29Å; F2895-S2899 WeakPolarHBondContact O-CB 3.49Å; F2895-S2899 PolarHBondContact O-N 3.37Å; F2895-S2899 PolarHBondContact O-OG 2.67Å |
| 2896 | I | 83.7 | Confident | 83 | Confident | 84 Ų | 84 | 44 Ų | 44 | 43% | 0.431 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.3 | -45.1 | 178.4 | -70.5 | 178.9 | 0 | 0 | 0 | 110.5 | F2892 C2893 S2899 A2900 | F2892-I2896 HydrophobicContact CD1-CD1 4.03Å; F2892-I2896 HydrophobicContact CE1-CD1 3.38Å; F2892-I2896 HydrophobicContact CE1-CG1 4.37Å; F2892-I2896 HydrophobicContact CE2-CD1 4.18Å; F2892-I2896 HydrophobicContact CE2-CG1 4.5Å; F2892-I2896 HydrophobicContact CZ-CD1 3.49Å; F2892-I2896 VanDerWaalsContact CZ-CD1 3.49Å; F2892-I2896 HydrophobicContact CZ-CG1 4.26Å; F2892-I2896 PolarHBondContact O-N 3.22Å; F2892-I2896 VanDerWaalsContact O-N 3.08Å; C2893-I2896 PolarHBondContact O-N 3.41Å; I2896-S2899 PolarHBondContact O-N 3.01Å; I2896-A2900 WeakPolarHBondContact O-CB 3.35Å; I2896-A2900 PolarHBondContact O-N 3.2Å |
| 2897 | Y | 84.9 | Confident | 83 | Confident | 40 Ų | 40 | 46.3 Ų | 46.3 | 16% | 0.157 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.9 | -47.8 | -177.8 | -176.5 | -99.1 | 0 | 0 | 0 | 112.5 | V2241 T2242 L2246 C2893 V2894 F2895 S2899 A2900 I2901 | V2241-Y2897 HydrophobicContact CG1-CE2 3.89Å; T2242-Y2897 VanDerWaalsContact C-OH 3.25Å; T2242-Y2897 PolarHBondContact O-OH 2.95Å; T2242-Y2897 VanDerWaalsContact O-OH 3.11Å; L2246-Y2897 HydrophobicContact CB-CD2 4.1Å; L2246-Y2897 HydrophobicContact CB-CE2 3.97Å; L2246-Y2897 HydrophobicContact CB-CG 4.45Å; L2246-Y2897 HydrophobicContact CD1-CD1 3.74Å; L2246-Y2897 HydrophobicContact CD1-CD2 3.7Å; L2246-Y2897 HydrophobicContact CD1-CE1 4.4Å; L2246-Y2897 HydrophobicContact CD1-CE2 4.36Å; L2246-Y2897 HydrophobicContact CD1-CG 3.34Å; L2246-Y2897 HydrophobicContact CG-CD2 4.49Å; L2246-Y2897 HydrophobicContact CG-CG 4.39Å; C2893-Y2897 WeakPolarHBondContact O-CB 3.45Å; C2893-Y2897 PolarHBondContact O-N 2.96Å; C2893-Y2897 VanDerWaalsContact O-N 3.1Å; V2894-Y2897 PolarHBondContact O-N 3.19Å; F2895-Y2897 VanDerWaalsContact C-N 3.33Å; F2895-Y2897 PolarHBondContact O-N 3.18Å; Y2897-S2899 VanDerWaalsContact C-N 3.33Å; Y2897-S2899 PolarHBondContact O-N 3.14Å; Y2897-A2900 PolarHBondContact O-N 3.34Å; Y2897-I2901 HydrophobicContact CD1-CD1 3.75Å; Y2897-I2901 HydrophobicContact CE1-CD1 3.33Å; Y2897-I2901 HydrophobicContact CE1-CG1 4.49Å; Y2897-I2901 WeakPolarHBondContact O-CG1 3.41Å; Y2897-I2901 PolarHBondContact O-N 2.88Å |
| 2898 | I | 83.3 | Confident | 82.9 | Confident | 37 Ų | 37 | 45 Ų | 45 | 19% | 0.19 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.1 | -44 | 177 | -67.5 | 172.3 | 0 | 0 | 0 | 110.1 | A2663 L2664 V2667 V2894 A2900 I2901 I2902 | A2663-I2898 HydrophobicContact CB-CD1 4.45Å; A2663-I2898 HydrophobicContact CB-CG2 4.37Å; L2664-I2898 HydrophobicContact CD2-CG2 4.18Å; L2664-I2898 HydrophobicContact CG-CG2 4.33Å; V2667-I2898 HydrophobicContact CG2-CD1 4.17Å; V2894-I2898 HydrophobicContact CG1-CD1 3.66Å; V2894-I2898 HydrophobicContact CG1-CG1 4.34Å; V2894-I2898 WeakPolarHBondContact O-CG1 3.34Å; V2894-I2898 PolarHBondContact O-N 3.45Å; I2898-A2900 PolarHBondContact O-N 3.15Å; I2898-I2901 PolarHBondContact O-N 3.46Å; I2898-I2902 HydrophobicContact CG2-CD1 3.62Å; I2898-I2902 HydrophobicContact CG2-CG1 4.42Å; I2898-I2902 WeakPolarHBondContact O-CD1 3.15Å; I2898-I2902 VanDerWaalsContact O-CG1 3.23Å; I2898-I2902 WeakPolarHBondContact O-CG1 3.37Å; I2898-I2902 PolarHBondContact O-N 2.89Å; I2898-I2902 VanDerWaalsContact O-N 3.16Å |
| 2899 | S | 83.9 | Confident | 82.7 | Confident | 5 Ų | 5 | 47.9 Ų | 47.9 | 4% | 0.035 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.1 | -43.8 | 178.2 | -61.8 | 0 | 0 | 0 | 0 | 112.5 | F2895 I2896 Y2897 I2901 I2902 L2903 | F2895-S2899 VanDerWaalsContact O-CB 3.29Å; F2895-S2899 WeakPolarHBondContact O-CB 3.49Å; F2895-S2899 PolarHBondContact O-N 3.37Å; F2895-S2899 PolarHBondContact O-OG 2.67Å; I2896-S2899 PolarHBondContact O-N 3.01Å; Y2897-S2899 VanDerWaalsContact C-N 3.33Å; Y2897-S2899 PolarHBondContact O-N 3.14Å; S2899-I2901 PolarHBondContact O-N 3.11Å; S2899-I2902 PolarHBondContact O-N 2.78Å; S2899-L2903 WeakPolarHBondContact O-CB 3.49Å; S2899-L2903 WeakPolarHBondContact O-CG 3.4Å; S2899-L2903 PolarHBondContact O-N 3.45Å |
| 2900 | A | 83.2 | Confident | 82.8 | Confident | 50 Ų | 50 | 44 Ų | 44 | 41% | 0.413 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.9 | -41.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I2896 Y2897 I2898 I2902 W2904 | I2896-A2900 WeakPolarHBondContact O-CB 3.35Å; I2896-A2900 PolarHBondContact O-N 3.2Å; Y2897-A2900 PolarHBondContact O-N 3.34Å; I2898-A2900 PolarHBondContact O-N 3.15Å; A2900-I2902 PolarHBondContact O-N 3.25Å; A2900-W2904 WeakPolarHBondContact O-CB 3.42Å; A2900-W2904 PolarHBondContact O-N 2.54Å |
| 2901 | I | 82.8 | Confident | 82.7 | Confident | 31 Ų | 31 | 44.6 Ų | 44.6 | 16% | 0.159 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.7 | -44.8 | 177 | -70.9 | 169.4 | 0 | 0 | 0 | 111.2 | V2241 W2597 Y2897 I2898 S2899 N2905 | V2241-I2901 HydrophobicContact CG1-CD1 3.86Å; V2241-I2901 HydrophobicContact CG1-CG1 3.59Å; W2597-I2901 HydrophobicContact CH2-CD1 4.2Å; Y2897-I2901 HydrophobicContact CD1-CD1 3.75Å; Y2897-I2901 HydrophobicContact CE1-CD1 3.33Å; Y2897-I2901 HydrophobicContact CE1-CG1 4.49Å; Y2897-I2901 WeakPolarHBondContact O-CG1 3.41Å; Y2897-I2901 PolarHBondContact O-N 2.88Å; I2898-I2901 PolarHBondContact O-N 3.46Å; S2899-I2901 PolarHBondContact O-N 3.11Å; I2901-N2905 WeakPolarHBondContact O-CB 3.28Å; I2901-N2905 PolarHBondContact O-N 3.16Å; I2901-N2905 VanDerWaalsContact O-N 3.07Å; I2901-N2905 PolarHBondContact O-ND2 3.09Å |
| 2902 | I | 81.4 | Confident | 82.5 | Confident | 18 Ų | 18 | 47.3 Ų | 47.3 | 9% | 0.092 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.7 | -45 | -176.6 | -58.4 | 160.5 | 0 | 0 | 0 | 110.1 | L2165 L2664 I2898 S2899 A2900 W2904 N2905 T2906 | L2165-I2902 HydrophobicContact CD1-CG2 3.98Å; L2165-I2902 HydrophobicContact CD2-CB 4.45Å; L2165-I2902 HydrophobicContact CD2-CG2 3.6Å; L2165-I2902 HydrophobicContact CG-CG2 4.48Å; L2664-I2902 HydrophobicContact CD1-CD1 3.7Å; L2664-I2902 HydrophobicContact CD2-CD1 4.5Å; L2664-I2902 HydrophobicContact CG-CD1 3.99Å; I2898-I2902 HydrophobicContact CG2-CD1 3.62Å; I2898-I2902 HydrophobicContact CG2-CG1 4.42Å; I2898-I2902 WeakPolarHBondContact O-CD1 3.15Å; I2898-I2902 VanDerWaalsContact O-CG1 3.23Å; I2898-I2902 WeakPolarHBondContact O-CG1 3.37Å; I2898-I2902 PolarHBondContact O-N 2.89Å; I2898-I2902 VanDerWaalsContact O-N 3.16Å; S2899-I2902 PolarHBondContact O-N 2.78Å; A2900-I2902 PolarHBondContact O-N 3.25Å; I2902-W2904 PolarHBondContact O-N 3.01Å; I2902-N2905 PolarHBondContact O-N 3.05Å; I2902-T2906 HydrophobicContact CG2-CG2 4.5Å; I2902-T2906 WeakPolarHBondContact O-CG2 3.28Å; I2902-T2906 PolarHBondContact O-N 3.26Å; I2902-T2906 PolarHBondContact O-OG1 3.49Å |
| 2903 | L | 84 | Confident | 82.2 | Confident | 40 Ų | 40 | 46 Ų | 46 | 21% | 0.209 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.4 | -43.6 | 177 | -77.5 | 169 | 0 | 0 | 0 | 111.8 | V2161 I2164 L2165 L2168 S2899 N2905 T2906 M2907 | V2161-L2903 HydrophobicContact CG1-CD1 4.32Å; I2164-L2903 HydrophobicContact CB-CD2 4.01Å; I2164-L2903 HydrophobicContact CG2-CD2 3.46Å; I2164-L2903 VanDerWaalsContact CG2-CD2 3.46Å; L2165-L2903 HydrophobicContact CD2-CD2 3.68Å; L2165-L2903 HydrophobicContact CD2-CG 4.12Å; L2165-L2903 HydrophobicContact CG-CD2 3.84Å; L2165-L2903 HydrophobicContact CG-CG 4.39Å; L2168-L2903 HydrophobicContact CD1-CD2 4.26Å; S2899-L2903 WeakPolarHBondContact O-CB 3.49Å; S2899-L2903 WeakPolarHBondContact O-CG 3.4Å; S2899-L2903 PolarHBondContact O-N 3.45Å; L2903-N2905 PolarHBondContact O-N 3.31Å; L2903-T2906 WeakPolarHBondContact CA-OG1 3.49Å; L2903-T2906 PolarHBondContact O-N 2.88Å; L2903-T2906 PolarHBondContact O-OG1 2.69Å; L2903-M2907 WeakPolarHBondContact O-CB 3.5Å; L2903-M2907 PolarHBondContact O-N 3.03Å |
| 2904 | W | 84.6 | Confident | 82 | Confident | 95 Ų | 95 | 49.4 Ų | 49.4 | 36% | 0.36 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 178 | -175.4 | -93 | 0 | 0 | 0 | 112.5 | L2233 Y2237 A2900 I2902 G2908 | L2233-W2904 HydrophobicContact CD2-CH2 4.16Å; Y2237-W2904 AromaticContact CD1-NE1 3.91Å; Y2237-W2904 HydrophobicContact CD2-CB 4.34Å; Y2237-W2904 AromaticContact CD2-CD1 3.41Å; Y2237-W2904 VanDerWaalsContact CD2-CD1 3.41Å; Y2237-W2904 AromaticContact CD2-CD2 3.67Å; Y2237-W2904 HydrophobicContact CD2-CD2 3.67Å; Y2237-W2904 AromaticContact CD2-CE2 3.59Å; Y2237-W2904 HydrophobicContact CD2-CE3 4.47Å; Y2237-W2904 AromaticContact CD2-CG 3.55Å; Y2237-W2904 HydrophobicContact CD2-CG 3.55Å; Y2237-W2904 HydrophobicContact CD2-CZ2 4.31Å; Y2237-W2904 AromaticContact CD2-NE1 3.41Å; Y2237-W2904 HydrophobicContact CE2-CB 3.85Å; Y2237-W2904 AromaticContact CE2-CD1 3.24Å; Y2237-W2904 HydrophobicContact CE2-CD2 4.07Å; Y2237-W2904 AromaticContact CE2-CG 3.43Å; Y2237-W2904 HydrophobicContact CE2-CG 3.43Å; Y2237-W2904 VanDerWaalsContact CE2-CG 3.43Å; Y2237-W2904 AromaticContact CE2-NE1 3.75Å; Y2237-W2904 AromaticContact CG-CD1 3.92Å; Y2237-W2904 HydrophobicContact CG-CD2 4.35Å; Y2237-W2904 AromaticContact CG-CE2 3.8Å; Y2237-W2904 HydrophobicContact CG-CG 4.41Å; Y2237-W2904 HydrophobicContact CG-CZ2 4.25Å; Y2237-W2904 AromaticContact CG-NE1 3.5Å; Y2237-W2904 AromaticContact CZ-CD1 3.62Å; A2900-W2904 WeakPolarHBondContact O-CB 3.42Å; A2900-W2904 PolarHBondContact O-N 2.54Å; I2902-W2904 PolarHBondContact O-N 3.01Å; W2904-G2908 PolarHBondContact O-N 3.38Å |
| 2905 | N | 79.7 | Confident | 81.6 | Confident | 84 Ų | 84 | 49.8 Ų | 49.8 | 45% | 0.449 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.8 | -43.7 | 179.4 | -75.2 | -31 | 0 | 0 | 0 | 112 | I2901 I2902 L2903 G2908 S2909 | I2901-N2905 WeakPolarHBondContact O-CB 3.28Å; I2901-N2905 PolarHBondContact O-N 3.16Å; I2901-N2905 VanDerWaalsContact O-N 3.07Å; I2901-N2905 PolarHBondContact O-ND2 3.09Å; I2902-N2905 PolarHBondContact O-N 3.05Å; L2903-N2905 PolarHBondContact O-N 3.31Å; N2905-G2908 PolarHBondContact O-N 3.45Å; N2905-S2909 PolarHBondContact O-N 3.21Å; N2905-S2909 VanDerWaalsContact O-N 3.14Å; N2905-S2909 PolarHBondContact O-OG 3.38Å |
| 2906 | T | 79.4 | Confident | 81 | Confident | 35 Ų | 35 | 51.9 Ų | 51.9 | 22% | 0.215 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.6 | -42.2 | 178.9 | 51 | 0 | 0 | 0 | 0 | 111.8 | L2165 I2902 L2903 S2909 V2910 | L2165-T2906 HydrophobicContact CD2-CG2 4.08Å; I2902-T2906 HydrophobicContact CG2-CG2 4.5Å; I2902-T2906 WeakPolarHBondContact O-CG2 3.28Å; I2902-T2906 PolarHBondContact O-N 3.26Å; I2902-T2906 PolarHBondContact O-OG1 3.49Å; L2903-T2906 WeakPolarHBondContact CA-OG1 3.49Å; L2903-T2906 PolarHBondContact O-N 2.88Å; L2903-T2906 PolarHBondContact O-OG1 2.69Å; T2906-S2909 PolarHBondContact O-N 3.43Å; T2906-V2910 WeakPolarHBondContact O-CG2 3.36Å; T2906-V2910 PolarHBondContact O-N 3.1Å; T2906-V2910 VanDerWaalsContact O-N 3.11Å |
| 2907 | M | 83.9 | Confident | 80.4 | Confident | 98 Ų | 98 | 56.4 Ų | 56.4 | 48% | 0.483 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 174.7 | -173.3 | 176.4 | 179.1 | 0 | 0 | 112 | L2168 L2903 S2909 V2910 I2911 | L2168-M2907 HydrophobicContact CD1-CB 4.31Å; L2903-M2907 WeakPolarHBondContact O-CB 3.5Å; L2903-M2907 PolarHBondContact O-N 3.03Å; M2907-S2909 VanDerWaalsContact C-N 3.34Å; M2907-S2909 PolarHBondContact O-N 3.38Å; M2907-V2910 PolarHBondContact O-N 3.14Å; M2907-I2911 HydrophobicContact CE-CD1 4.14Å; M2907-I2911 HydrophobicContact CG-CD1 3.95Å; M2907-I2911 WeakPolarHBondContact O-CG1 3.44Å; M2907-I2911 PolarHBondContact O-N 2.9Å |
| 2908 | G | 80.1 | Confident | 79.7 | Confident | 37 Ų | 37 | 59.7 Ų | 59.7 | 38% | 0.381 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.7 | -41.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | W2904 N2905 I2911 W2912 | W2904-G2908 PolarHBondContact O-N 3.38Å; N2905-G2908 PolarHBondContact O-N 3.45Å; G2908-I2911 PolarHBondContact O-N 2.93Å; G2908-W2912 WeakPolarHBondContact O-CB 3.45Å; G2908-W2912 PolarHBondContact O-N 2.89Å |
| 2909 | S | 78.8 | Confident | 78.8 | Confident | 65 Ų | 65 | 61.7 Ų | 61.7 | 46% | 0.455 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.2 | -40 | 174.2 | -64.8 | 0 | 0 | 0 | 0 | 112.7 | N2905 T2906 M2907 W2912 L2913 | N2905-S2909 PolarHBondContact O-N 3.21Å; N2905-S2909 VanDerWaalsContact O-N 3.14Å; N2905-S2909 PolarHBondContact O-OG 3.38Å; T2906-S2909 PolarHBondContact O-N 3.43Å; M2907-S2909 VanDerWaalsContact C-N 3.34Å; M2907-S2909 PolarHBondContact O-N 3.38Å; S2909-W2912 PolarHBondContact O-N 2.84Å; S2909-L2913 PolarHBondContact O-N 3.28Å; S2909-L2913 VanDerWaalsContact O-N 3.08Å |
| 2910 | V | 82 | Confident | 78 | Confident | 11 Ų | 11 | 64.3 Ų | 64.3 | 7% | 0.067 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.9 | -47 | 176.6 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | L2168 I2171 L2172 T2906 M2907 W2912 L2913 I2914 | L2168-V2910 HydrophobicContact CB-CG2 4.35Å; L2168-V2910 HydrophobicContact CD2-CG2 4.15Å; I2171-V2910 HydrophobicContact CG2-CG1 3.79Å; L2172-V2910 HydrophobicContact CD1-CG2 4.16Å; L2172-V2910 HydrophobicContact CD2-CB 4.28Å; L2172-V2910 HydrophobicContact CD2-CG2 3.63Å; L2172-V2910 HydrophobicContact CG-CG2 3.53Å; T2906-V2910 WeakPolarHBondContact O-CG2 3.36Å; T2906-V2910 PolarHBondContact O-N 3.1Å; T2906-V2910 VanDerWaalsContact O-N 3.11Å; M2907-V2910 PolarHBondContact O-N 3.14Å; V2910-W2912 VanDerWaalsContact C-N 3.34Å; V2910-W2912 PolarHBondContact O-N 3.49Å; V2910-L2913 PolarHBondContact O-N 3.15Å; V2910-I2914 HydrophobicContact CG1-CD1 3.81Å; V2910-I2914 WeakPolarHBondContact O-CG1 3.48Å; V2910-I2914 PolarHBondContact O-N 3.31Å |
| 2911 | I | 82.9 | Confident | 77.3 | Confident | 81 Ų | 81 | 62.3 Ų | 62.3 | 42% | 0.415 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 179.2 | -67.3 | 166.8 | 0 | 0 | 0 | 110.7 | M2907 G2908 L2913 I2914 L2915 | M2907-I2911 HydrophobicContact CE-CD1 4.14Å; M2907-I2911 HydrophobicContact CG-CD1 3.95Å; M2907-I2911 WeakPolarHBondContact O-CG1 3.44Å; M2907-I2911 PolarHBondContact O-N 2.9Å; G2908-I2911 PolarHBondContact O-N 2.93Å; I2911-L2913 VanDerWaalsContact C-N 3.35Å; I2911-L2913 PolarHBondContact O-N 2.81Å; I2911-I2914 PolarHBondContact O-N 3.17Å; I2911-L2915 HydrophobicContact CG2-CD1 3.95Å; I2911-L2915 HydrophobicContact CG2-CG 4.3Å; I2911-L2915 WeakPolarHBondContact O-CG 3.41Å; I2911-L2915 PolarHBondContact O-N 3.06Å |
| 2912 | W | 79.8 | Confident | 76.5 | Confident | 79 Ų | 79 | 61.4 Ų | 61.4 | 30% | 0.299 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.6 | -44.6 | 176.9 | -172.1 | -91.8 | 0 | 0 | 0 | 112.2 | T2608 R2611 I2612 G2908 S2909 V2910 I2914 L2915 N2916 L2921 | T2608-W2912 HydrophobicContact CG2-CE3 4.34Å; T2608-W2912 HydrophobicContact CG2-CH2 3.85Å; T2608-W2912 HydrophobicContact CG2-CZ3 3.57Å; R2611-W2912 HydrophobicContact CB-CH2 4.33Å; I2612-W2912 HydrophobicContact CD1-CZ3 4.05Å; I2612-W2912 HydrophobicContact CG1-CH2 3.85Å; I2612-W2912 HydrophobicContact CG1-CZ3 3.76Å; G2908-W2912 WeakPolarHBondContact O-CB 3.45Å; G2908-W2912 PolarHBondContact O-N 2.89Å; S2909-W2912 PolarHBondContact O-N 2.84Å; V2910-W2912 VanDerWaalsContact C-N 3.34Å; V2910-W2912 PolarHBondContact O-N 3.49Å; W2912-I2914 VanDerWaalsContact C-N 3.34Å; W2912-I2914 PolarHBondContact O-N 2.84Å; W2912-L2915 PolarHBondContact O-N 3.49Å; W2912-N2916 WeakPolarHBondContact O-CB 3.39Å; W2912-N2916 PolarHBondContact O-N 3.24Å; W2912-L2921 HydrophobicContact CD2-CD1 4.42Å; W2912-L2921 HydrophobicContact CH2-CD1 4.32Å; W2912-L2921 HydrophobicContact CH2-CD2 4.31Å; W2912-L2921 HydrophobicContact CZ2-CD1 4.07Å |
| 2913 | L | 75.9 | Confident | 75.9 | Confident | 35 Ų | 35 | 63.7 Ų | 63.7 | 18% | 0.183 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 177.6 | -162 | 160.7 | 0 | 0 | 0 | 110.9 | L2172 F2176 S2909 V2910 I2911 N2916 R2917 | L2172-L2913 HydrophobicContact CD2-CD1 4.06Å; F2176-L2913 HydrophobicContact CD1-CD1 4.43Å; F2176-L2913 HydrophobicContact CD2-CD1 4.34Å; F2176-L2913 HydrophobicContact CE1-CD1 4.33Å; F2176-L2913 HydrophobicContact CE2-CD1 4.24Å; F2176-L2913 HydrophobicContact CG-CD1 4.42Å; F2176-L2913 HydrophobicContact CZ-CD1 4.24Å; S2909-L2913 PolarHBondContact O-N 3.28Å; S2909-L2913 VanDerWaalsContact O-N 3.08Å; V2910-L2913 PolarHBondContact O-N 3.15Å; I2911-L2913 VanDerWaalsContact C-N 3.35Å; I2911-L2913 PolarHBondContact O-N 2.81Å; L2913-N2916 PolarHBondContact O-N 2.85Å; L2913-R2917 WeakPolarHBondContact O-CB 3.31Å; L2913-R2917 PolarHBondContact O-N 3.25Å |
| 2914 | I | 78.2 | Confident | 75.1 | Confident | 82 Ų | 82 | 67.5 Ų | 67.5 | 42% | 0.421 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63 | -44.7 | 176.6 | -66.8 | 166.8 | 0 | 0 | 0 | 111.2 | V2910 I2911 W2912 N2916 R2917 L2918 | V2910-I2914 HydrophobicContact CG1-CD1 3.81Å; V2910-I2914 WeakPolarHBondContact O-CG1 3.48Å; V2910-I2914 PolarHBondContact O-N 3.31Å; I2911-I2914 PolarHBondContact O-N 3.17Å; W2912-I2914 VanDerWaalsContact C-N 3.34Å; W2912-I2914 PolarHBondContact O-N 2.84Å; I2914-N2916 VanDerWaalsContact C-N 3.33Å; I2914-N2916 PolarHBondContact O-N 3.3Å; I2914-R2917 PolarHBondContact O-N 3.17Å; I2914-L2918 HydrophobicContact CG2-CD1 3.91Å; I2914-L2918 HydrophobicContact CG2-CG 4.45Å; I2914-L2918 WeakPolarHBondContact O-CG 3.49Å; I2914-L2918 PolarHBondContact O-N 3.16Å |
| 2915 | L | 76.4 | Confident | 74.2 | Confident | 34 Ų | 34 | 64.4 Ų | 64.4 | 18% | 0.178 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 177.8 | -74.8 | 172.5 | 0 | 0 | 0 | 112.3 | L2226 I2911 W2912 L2920 L2921 | L2226-L2915 HydrophobicContact CD1-CD1 4.47Å; L2226-L2915 HydrophobicContact CD1-CD2 3.99Å; I2911-L2915 HydrophobicContact CG2-CD1 3.95Å; I2911-L2915 HydrophobicContact CG2-CG 4.3Å; I2911-L2915 WeakPolarHBondContact O-CG 3.41Å; I2911-L2915 PolarHBondContact O-N 3.06Å; W2912-L2915 PolarHBondContact O-N 3.49Å; L2915-L2920 HydrophobicContact CD2-CB 4.38Å; L2915-L2920 HydrophobicContact CD2-CD1 3.79Å; L2915-L2920 PolarHBondContact O-N 2.98Å; L2915-L2921 HydrophobicContact CB-CD1 4.03Å; L2915-L2921 HydrophobicContact CB-CG 4.4Å |
| 2916 | N | 72.2 | Confident | 73.6 | Confident | 49 Ų | 49 | 63.9 Ų | 63.9 | 26% | 0.262 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.3 | -43.7 | 175.3 | -165.4 | 33.2 | 0 | 0 | 0 | 111.1 | W2912 L2913 I2914 L2918 N2919 L2921 | W2912-N2916 WeakPolarHBondContact O-CB 3.39Å; W2912-N2916 PolarHBondContact O-N 3.24Å; L2913-N2916 PolarHBondContact O-N 2.85Å; I2914-N2916 VanDerWaalsContact C-N 3.33Å; I2914-N2916 PolarHBondContact O-N 3.3Å; N2916-L2918 VanDerWaalsContact C-N 3.32Å; N2916-L2918 PolarHBondContact O-N 3.4Å; N2916-N2919 WeakPolarHBondContact O-CA 3.27Å; N2916-N2919 PolarHBondContact O-N 3.26Å; N2916-N2919 PolarHBondContact O-OD1 3.44Å; N2916-L2921 HydrophobicContact CB-CD1 4.26Å |
| 2917 | R | 70.1 | Confident | 73 | Confident | 178 Ų | 178 | 66.6 Ų | 66.6 | 67% | 0.672 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -62.7 | -37.1 | 178.3 | -167.3 | -169.6 | -172.2 | -144.2 | 3.4 | 113 | L2913 I2914 N2919 | L2913-R2917 WeakPolarHBondContact O-CB 3.31Å; L2913-R2917 PolarHBondContact O-N 3.25Å; I2914-R2917 PolarHBondContact O-N 3.17Å; R2917-N2919 PolarHBondContact O-N 2.66Å |
| 2918 | L | 71.2 | Confident | 72.3 | Confident | 110 Ų | 110 | 68 Ų | 68 | 58% | 0.576 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | 1.7 | 176.4 | -67.3 | 172.9 | 0 | 0 | 0 | 112.7 | I2914 N2916 L2920 | I2914-L2918 HydrophobicContact CG2-CD1 3.91Å; I2914-L2918 HydrophobicContact CG2-CG 4.45Å; I2914-L2918 WeakPolarHBondContact O-CG 3.49Å; I2914-L2918 PolarHBondContact O-N 3.16Å; N2916-L2918 VanDerWaalsContact C-N 3.32Å; N2916-L2918 PolarHBondContact O-N 3.4Å; L2918-L2920 HydrophobicContact CB-CD1 3.7Å; L2918-L2920 HydrophobicContact CB-CG 3.81Å; L2918-L2920 HydrophobicContact CD1-CD1 3.89Å; L2918-L2920 HydrophobicContact CG-CD1 4.46Å; L2918-L2920 PolarHBondContact O-N 3.25Å; L2918-L2920 VanDerWaalsContact O-N 3.12Å |
| 2919 | N | 64.6 | Low | 71.6 | Confident | 79 Ų | 79 | 68.1 Ų | 68.1 | 42% | 0.422 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 28.2 | -175.4 | -68.3 | -34.3 | 0 | 0 | 0 | 113.2 | Y2214 N2916 R2917 L2921 | Y2214-N2919 PolarHBondContact OH-O 3.49Å; N2916-N2919 WeakPolarHBondContact O-CA 3.27Å; N2916-N2919 PolarHBondContact O-N 3.26Å; N2916-N2919 PolarHBondContact O-OD1 3.44Å; R2917-N2919 PolarHBondContact O-N 2.66Å; N2919-L2921 VanDerWaalsContact C-N 3.25Å; N2919-L2921 PolarHBondContact O-N 3.36Å |
| 2920 | L | 66.4 | Low | 71 | Confident | 59 Ų | 59 | 69 Ų | 69 | 31% | 0.309 | 33% | 0.334 | S | S | . | . | trans | -76.4 | -19.4 | 178.6 | -68.5 | 167.1 | 0 | 0 | 0 | 111.7 | F2222 L2915 L2918 | F2222-L2920 HydrophobicContact CD1-CD2 4.49Å; F2222-L2920 HydrophobicContact CE1-CB 4.44Å; F2222-L2920 HydrophobicContact CE1-CD1 4.49Å; F2222-L2920 HydrophobicContact CE1-CD2 3.76Å; F2222-L2920 HydrophobicContact CE1-CG 4.45Å; F2222-L2920 HydrophobicContact CZ-CD2 4.19Å; L2915-L2920 HydrophobicContact CD2-CB 4.38Å; L2915-L2920 HydrophobicContact CD2-CD1 3.79Å; L2915-L2920 PolarHBondContact O-N 2.98Å; L2918-L2920 HydrophobicContact CB-CD1 3.7Å; L2918-L2920 HydrophobicContact CB-CG 3.81Å; L2918-L2920 HydrophobicContact CD1-CD1 3.89Å; L2918-L2920 HydrophobicContact CG-CD1 4.46Å; L2918-L2920 PolarHBondContact O-N 3.25Å; L2918-L2920 VanDerWaalsContact O-N 3.12Å | ||
| 2921 | L | 68.7 | Low | 69.9 | Low | 9 Ų | 9 | 75.1 Ų | 75.1 | 5% | 0.047 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -90.3 | 134.9 | 174.4 | -67.3 | 161.8 | 0 | 0 | 0 | 110.1 | I2612 W2912 L2915 N2916 N2919 | I2612-L2921 HydrophobicContact CB-CD2 4.35Å; I2612-L2921 HydrophobicContact CG1-CD2 3.95Å; I2612-L2921 HydrophobicContact CG2-CD2 4.38Å; W2912-L2921 HydrophobicContact CD2-CD1 4.42Å; W2912-L2921 HydrophobicContact CH2-CD1 4.32Å; W2912-L2921 HydrophobicContact CH2-CD2 4.31Å; W2912-L2921 HydrophobicContact CZ2-CD1 4.07Å; L2915-L2921 HydrophobicContact CB-CD1 4.03Å; L2915-L2921 HydrophobicContact CB-CG 4.4Å; N2916-L2921 HydrophobicContact CB-CD1 4.26Å; N2919-L2921 VanDerWaalsContact C-N 3.25Å; N2919-L2921 PolarHBondContact O-N 3.36Å |
| 2922 | P | 66.8 | Low | 68.7 | Low | 12 Ų | 12 | 76.3 Ų | 76.3 | 8% | 0.078 | 39% | 0.386 | C | S | . | . | trans | -64.9 | 143.5 | 174.2 | 23 | -27 | 0 | 0 | 0 | 110.8 | I2612 G2615 D2616 | I2612-P2922 WeakPolarHBondContact O-CD 3.34Å; I2612-P2922 WeakPolarHBondContact O-CG 3.34Å; G2615-P2922 CarbonylContact C-O 3.49Å; G2615-P2922 WeakPolarHBondContact CA-O 3.47Å; D2616-P2922 PolarHBondContact N-O 3.43Å | ||
| 2923 | Q | 68.2 | Low | 67.7 | Low | 65 Ų | 65 | 76.5 Ų | 76.5 | 30% | 0.304 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 126.1 | 173 | -68.7 | 178.8 | 1.2 | 0 | 0 | 109.2 | D2616 V2618 V2925 | D2616-Q2923 WeakPolarHBondContact O-CA 3.47Å; V2618-Q2923 HydrophobicContact CG2-CB 4.21Å; V2618-Q2923 HydrophobicContact CG2-CG 4.24Å; Q2923-V2925 PolarHBondContact O-N 3.26Å |
| 2924 | K | 66.6 | Low | 66.5 | Low | 120 Ų | 120 | 84.2 Ų | 84.2 | 52% | 0.522 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 102.1 | 174.4 | -172.2 | 177.6 | -179.7 | -178.2 | 0 | 108.4 | D2616 V2617 V2618 L2926 | D2616-K2924 PolarHBondContact O-N 3.1Å; V2617-K2924 WeakPolarHBondContact CA-O 3.33Å; V2618-K2924 PolarHBondContact N-O 2.92Å; K2924-L2926 PolarHBondContact O-N 3.4Å |
| 2925 | V | 66.7 | Low | 65.1 | Low | 30 Ų | 30 | 88.7 Ų | 88.7 | 18% | 0.182 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 115.8 | -179.6 | -173.1 | 0 | 0 | 0 | 0 | 109.5 | W2186 V2618 I2620 Q2923 F2927 | W2186-V2925 HydrophobicContact CZ2-CG2 4.26Å; V2618-V2925 WeakPolarHBondContact O-CA 3.47Å; I2620-V2925 HydrophobicContact CD1-CG1 3.28Å; I2620-V2925 HydrophobicContact CG1-CG1 3.7Å; Q2923-V2925 PolarHBondContact O-N 3.26Å; V2925-F2927 HydrophobicContact CG1-CD1 4.43Å; V2925-F2927 HydrophobicContact CG1-CE1 3.93Å; V2925-F2927 HydrophobicContact CG1-CE2 4.03Å; V2925-F2927 HydrophobicContact CG1-CZ 3.71Å |
| 2926 | L | 66.8 | Low | 63.8 | Low | 73 Ų | 73 | 92.8 Ų | 92.8 | 38% | 0.382 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 122.5 | 170.5 | -72 | 170.7 | 0 | 0 | 0 | 108.7 | V2617 V2618 F2619 I2620 K2924 | V2617-L2926 HydrophobicContact CG1-CD1 3.26Å; V2617-L2926 HydrophobicContact CG1-CG 3.93Å; V2618-L2926 PolarHBondContact O-N 3.22Å; F2619-L2926 HydrophobicContact CD1-CB 4.16Å; F2619-L2926 HydrophobicContact CD1-CD1 4.34Å; F2619-L2926 HydrophobicContact CE1-CB 4.37Å; F2619-L2926 HydrophobicContact CE1-CD1 3.74Å; F2619-L2926 HydrophobicContact CZ-CD1 4.16Å; I2620-L2926 PolarHBondContact N-O 2.66Å; K2924-L2926 PolarHBondContact O-N 3.4Å |
| 2927 | F | 67.6 | Low | 62.7 | Low | 92 Ų | 92 | 98.3 Ų | 98.3 | 40% | 0.404 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 131.1 | 175.4 | -61.2 | -78.2 | 0 | 0 | 0 | 109.7 | I2620 L2622 V2925 | I2620-F2927 HydrophobicContact CB-CD1 4.07Å; I2620-F2927 HydrophobicContact CB-CE1 4.4Å; I2620-F2927 HydrophobicContact CD1-CE1 4.08Å; I2620-F2927 HydrophobicContact CG2-CD1 4.29Å; I2620-F2927 HydrophobicContact CG2-CE1 4.5Å; L2622-F2927 HydrophobicContact CD1-CB 4.07Å; L2622-F2927 HydrophobicContact CD1-CD1 3.55Å; L2622-F2927 HydrophobicContact CD1-CE1 4.37Å; L2622-F2927 HydrophobicContact CD1-CG 4.12Å; L2622-F2927 HydrophobicContact CG-CD1 4.27Å; V2925-F2927 HydrophobicContact CG1-CD1 4.43Å; V2925-F2927 HydrophobicContact CG1-CE1 3.93Å; V2925-F2927 HydrophobicContact CG1-CE2 4.03Å; V2925-F2927 HydrophobicContact CG1-CZ 3.71Å |
| 2928 | K | 68.4 | Low | 61.1 | Low | 127 Ų | 127 | 97.3 Ų | 97.3 | 55% | 0.552 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 109.1 | 169 | -168.3 | -175.3 | -174 | 180 | 0 | 108 | I2620 D2621 L2622 | I2620-K2928 PolarHBondContact O-N 3.41Å; D2621-K2928 WeakPolarHBondContact OD1-CB 3.44Å; D2621-K2928 WeakPolarHBondContact OD1-CD 3.25Å; L2622-K2928 PolarHBondContact N-O 2.9Å |
| 2929 | S | 64.8 | Low | 59.8 | Low | 41 Ų | 41 | 98.2 Ų | 98.2 | 29% | 0.287 | 52% | 0.52 | S | S | . | . | trans | -121.5 | 150.8 | 174.6 | 57.3 | 0 | 0 | 0 | 0 | 111.1 | W2934 | S2929-W2934 PolarHBondContact OG-NE1 3.01Š| ||
| 2930 | D | 66.4 | Low | 58.8 | Low | 83 Ų | 83 | 100.3 Ų | 100.3 | 44% | 0.444 | 54% | 0.538 | S | S | . | . | trans | -78.6 | 145.6 | 175.6 | -68.5 | -40.5 | 0 | 0 | 0 | 110.6 | T2623 S2932 S2933 | T2623-D2930 WeakPolarHBondContact CG2-OD2 3.43Å; D2930-S2932 PolarHBondContact O-N 2.97Å; D2930-S2932 VanDerWaalsContact O-N 3.07Å; D2930-S2933 PolarHBondContact O-N 3.47Å; D2930-S2933 PolarHBondContact O-OG 3.21Å | ||
| 2931 | V | 60.1 | Low | 57.3 | Low | 139 Ų | 139 | 106.2 Ų | 106.2 | 84% | 0.842 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -61.3 | -22.2 | -173.8 | -178.6 | 0 | 0 | 0 | 0 | 112.6 | S2933 | V2931-S2933 VanDerWaalsContact C-N 3.29Å; V2931-S2933 PolarHBondContact O-N 2.8Å |
| 2932 | S | 57.7 | Low | 55.9 | Low | 107 Ų | 107 | 115 Ų | 115 | 75% | 0.748 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -69.1 | -17.9 | 178.9 | 48.3 | 0 | 0 | 0 | 0 | 114.7 | D2930 W2934 | D2930-S2932 PolarHBondContact O-N 2.97Å; D2930-S2932 VanDerWaalsContact O-N 3.07Å; S2932-W2934 PolarHBondContact O-N 3.07Å |
| 2933 | S | 57.7 | Low | 54.4 | Low | 83 Ų | 83 | 122.8 Ų | 122.8 | 58% | 0.58 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -90.8 | 8.2 | -174.5 | 73.8 | 0 | 0 | 0 | 0 | 115.2 | D2930 V2931 | D2930-S2933 PolarHBondContact O-N 3.47Å; D2930-S2933 PolarHBondContact O-OG 3.21Å; V2931-S2933 VanDerWaalsContact C-N 3.29Å; V2931-S2933 PolarHBondContact O-N 2.8Å |
| 2934 | W | 51.3 | Low | 53.7 | Low | 196 Ų | 196 | 125.7 Ų | 125.7 | 74% | 0.742 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -104 | 5.4 | -172.5 | -69.7 | 79.3 | 0 | 0 | 0 | 115 | S2929 S2932 | S2929-W2934 PolarHBondContact OG-NE1 3.01Å; S2932-W2934 PolarHBondContact O-N 3.07Å |
| 2935 | Q | 48.9 | Very low | 53 | Low | 177 Ų | 177 | 126 Ų | 126 | 83% | 0.827 | 67% | 0.669 | S | S | * | * | trans | -115.1 | 124.4 | 175 | -75.4 | -177.1 | -27.7 | 0 | 0 | 112.3 | ||||
| 2936 | P | 49.1 | Very low | 52.3 | Low | 120 Ų | 120 | 131.3 Ų | 131.3 | 78% | 0.779 | 70% | 0.696 | S | S | * | * | trans | -113.7 | 107.3 | 152.2 | 29.9 | -17.2 | 0 | 0 | 0 | 109.6 | ||||
| 2937 | I | 49.1 | Very low | 51.4 | Low | 164 Ų | 164 | 134.8 Ų | 134.8 | 84% | 0.841 | 72% | 0.715 | S | S | * | * | 58.8 | 102 | 91.4 | -54.9 | 171.5 | 0 | 0 | 0 | 113.4 | |||||
| 2938 | D | 36.6 | Very low | 50.4 | Low | 157 Ų | 157 | 137.4 Ų | 137.4 | 84% | 0.84 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -79.2 | 149.6 | 171.1 | -82.2 | -40.5 | 0 | 0 | 0 | 112 | ||
| 2939 | V | 42.4 | Very low | 49.2 | Very low | 129 Ų | 129 | 138.1 Ų | 138.1 | 78% | 0.782 | 75% | 0.746 | S | S | * | * | trans | 101.8 | 115.4 | 173.7 | -165.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 2940 | P | 44.7 | Very low | 48.1 | Very low | 123 Ų | 123 | 145.1 Ų | 145.1 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | trans | -101.5 | 89.7 | -177 | 36.9 | -26.7 | 0 | 0 | 0 | 111.3 | ||||
| 2941 | Q | 34.9 | Very low | 46.7 | Very low | 184 Ų | 184 | 149.8 Ų | 149.8 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -160.7 | 22.2 | 167 | -124.5 | 170.3 | 8.1 | 0 | 0 | 118.2 | ||||
| 2942 | Q | 40.1 | Very low | 45.6 | Very low | 194 Ų | 194 | 150.8 Ų | 150.8 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | trans | -146.8 | 86.8 | 162 | -107 | 167 | -1.5 | 0 | 0 | 108 | ||||
| 2943 | L | 34.2 | Very low | 44.5 | Very low | 175 Ų | 175 | 154.7 Ų | 154.7 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | trans | -100.1 | 0 | 160.4 | -162 | 121.4 | 0 | 0 | 0 | 107.4 | L2198 R2202 | L2198-L2943 WeakPolarHBondContact CD2-OXT 3.38Å; R2202-L2943 VanDerWaalsContact NH2-CD1 3.26Å |
Retrieved 2,943 of 2,943 residues in 4796.2 ms
(Link to these results)