| 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 | 28.2 | Very low | 54.4 | Low | 243 Ų | 243 | 105.7 Ų | 105.7 | 100% | 1.197 | 59% | 0.587 | S | S | * | * | 0 | 38.1 | 0 | -68.6 | 179.1 | 177.4 | 0 | 0 | 112.7 | G3 | M1-G3 PolarHBondContact O-N 3.07Š| |||
| 2 | G | 32.1 | Very low | 56.9 | Low | 84 Ų | 84 | 109.8 Ų | 109.8 | 87% | 0.866 | 59% | 0.587 | S | S | * | * | trans | -82.8 | 32.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | C4 | G2-C4 PolarHBondContact O-N 3.32Å; G2-C4 VanDerWaalsContact O-N 3.11Å | ||
| 3 | G | 36.2 | Very low | 59.2 | Low | 57 Ų | 57 | 108.2 Ų | 108.2 | 59% | 0.588 | 57% | 0.574 | S | S | * | * | trans | -63.8 | 112.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | M1 F5 | M1-G3 PolarHBondContact O-N 3.07Å; G3-F5 PolarHBondContact O-N 3.3Å | ||
| 4 | C | 43.1 | Very low | 61.3 | Low | 102 Ų | 102 | 103 Ų | 103 | 69% | 0.689 | 55% | 0.546 | S | S | * | . | trans | -69.3 | 74.1 | 175.2 | -155.2 | 0 | 0 | 0 | 0 | 107.9 | G2 K6 | G2-C4 PolarHBondContact O-N 3.32Å; G2-C4 VanDerWaalsContact O-N 3.11Å; C4-K6 PolarHBondContact O-N 2.96Å | ||
| 5 | F | 43.5 | Very low | 63.1 | Low | 173 Ų | 173 | 97.9 Ų | 97.9 | 76% | 0.759 | 52% | 0.522 | S | S | * | . | trans | -63.8 | 87.1 | 167.4 | -98.8 | -87.3 | 0 | 0 | 0 | 106.4 | G3 L7 | G3-F5 PolarHBondContact O-N 3.3Å; F5-L7 VanDerWaalsContact C-N 3.29Å; F5-L7 PolarHBondContact O-N 2.95Å | ||
| 6 | K | 51.2 | Low | 64.9 | Low | 150 Ų | 150 | 97.8 Ų | 97.8 | 65% | 0.652 | 52% | 0.516 | S | S | * | . | trans | -72.1 | 91.2 | 170.3 | -78.7 | -171.3 | 178.7 | -177.4 | 0 | 107.4 | C4 N8 | C4-K6 PolarHBondContact O-N 2.96Å; K6-N8 WeakPolarHBondContact CA-OD1 3.41Å; K6-N8 HydrophobicContact CB-CB 4.34Å; K6-N8 VanDerWaalsContact CB-OD1 3.27Å; K6-N8 WeakPolarHBondContact CB-OD1 3.46Å; K6-N8 PolarHBondContact O-N 3.35Å; K6-N8 VanDerWaalsContact O-N 3.08Å | ||
| 7 | L | 58.4 | Low | 66.7 | Low | 64 Ų | 64 | 99 Ų | 99 | 34% | 0.335 | 52% | 0.516 | S | S | . | . | trans | -65.4 | 2.9 | 165.8 | -77.6 | 151.9 | 0 | 0 | 0 | 112.1 | F5 F9 | F5-L7 VanDerWaalsContact C-N 3.29Å; F5-L7 PolarHBondContact O-N 2.95Å; L7-F9 PolarHBondContact O-N 3.19Å | ||
| 8 | N | 67.2 | Low | 68.2 | Low | 50 Ų | 50 | 93.8 Ų | 93.8 | 27% | 0.267 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -54.5 | -6.1 | 174.8 | -53.1 | 51.5 | 0 | 0 | 0 | 115.5 | K6 R12 P752 | K6-N8 WeakPolarHBondContact CA-OD1 3.41Å; K6-N8 HydrophobicContact CB-CB 4.34Å; K6-N8 VanDerWaalsContact CB-OD1 3.27Å; K6-N8 WeakPolarHBondContact CB-OD1 3.46Å; K6-N8 PolarHBondContact O-N 3.35Å; K6-N8 VanDerWaalsContact O-N 3.08Å; N8-R12 WeakPolarHBondContact O-CB 3.44Å; N8-R12 PolarHBondContact O-N 3.4Å; N8-P752 HydrophobicContact CB-CB 4.47Å; N8-P752 WeakPolarHBondContact OD1-CB 3.47Å |
| 9 | F | 75.9 | Confident | 69.6 | Low | 146 Ų | 146 | 90.8 Ų | 90.8 | 64% | 0.64 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60.7 | -47.5 | -178.7 | -178.8 | -99.2 | 0 | 0 | 0 | 111.2 | L7 Q13 | L7-F9 PolarHBondContact O-N 3.19Å; F9-Q13 HydrophobicContact CD1-CG 4.49Å; F9-Q13 HydrophobicContact CE1-CG 4.16Å; F9-Q13 HydrophobicContact CE2-CG 4.27Å; F9-Q13 HydrophobicContact CZ-CG 4.04Å; F9-Q13 VanDerWaalsContact O-CG 3.24Å; F9-Q13 WeakPolarHBondContact O-CG 3.23Å; F9-Q13 PolarHBondContact O-N 3.38Å; F9-Q13 VanDerWaalsContact O-N 3.13Å |
| 10 | I | 80.7 | Confident | 70.9 | Confident | 65 Ų | 65 | 91.3 Ų | 91.3 | 33% | 0.333 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69 | -51.3 | -175.9 | -59.6 | 171.3 | 0 | 0 | 0 | 110.5 | R12 Q13 L14 L749 M750 | I10-R12 VanDerWaalsContact C-N 3.32Å; I10-R12 PolarHBondContact O-N 2.83Å; I10-Q13 PolarHBondContact O-N 3Å; I10-Q13 VanDerWaalsContact O-N 3.13Å; I10-L14 WeakPolarHBondContact O-CB 3.5Å; I10-L14 PolarHBondContact O-N 3.04Å; I10-L749 HydrophobicContact CD1-CD2 4.4Å; I10-M750 HydrophobicContact CB-CE 4.41Å; I10-M750 HydrophobicContact CD1-CE 4.33Å; I10-M750 HydrophobicContact CG2-CE 3.51Å; I10-M750 HydrophobicContact CG2-SD 4.1Å |
| 11 | E | 82.3 | Confident | 72 | Confident | 29 Ų | 29 | 89.1 Ų | 89.1 | 14% | 0.136 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -53.5 | -47.8 | 177.4 | 176.8 | -82.3 | 149.3 | 0 | 0 | 111.7 | Q13 L14 S15 V378 P752 | E11-Q13 VanDerWaalsContact C-N 3.34Å; E11-Q13 PolarHBondContact O-N 2.83Å; E11-L14 PolarHBondContact O-N 2.9Å; E11-S15 VanDerWaalsContact O-CB 3.31Å; E11-S15 WeakPolarHBondContact O-CB 3.41Å; E11-S15 PolarHBondContact O-N 3.24Å; E11-V378 HydrophobicContact CG-CG1 4.27Å; E11-P752 HydrophobicContact CB-CG 4.48Å; E11-P752 HydrophobicContact CG-CG 4.37Å |
| 12 | R | 83.5 | Confident | 75.2 | Confident | 154 Ų | 154 | 77.6 Ų | 77.6 | 58% | 0.581 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -66.3 | -34.6 | -179.2 | -175.9 | 178.3 | 168.9 | -158.9 | -5.4 | 112.8 | N8 I10 K16 | N8-R12 WeakPolarHBondContact O-CB 3.44Å; N8-R12 PolarHBondContact O-N 3.4Å; I10-R12 VanDerWaalsContact C-N 3.32Å; I10-R12 PolarHBondContact O-N 2.83Å; R12-K16 VanDerWaalsContact O-CG 3.25Å; R12-K16 WeakPolarHBondContact O-CG 3.33Å; R12-K16 PolarHBondContact O-N 2.93Å |
| 13 | Q | 87.6 | Confident | 78.2 | Confident | 89 Ų | 89 | 76.7 Ų | 76.7 | 42% | 0.416 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -71.4 | -41.1 | 175.5 | -68 | -65 | 2.1 | 0 | 0 | 111.1 | F9 I10 E11 K16 F17 | F9-Q13 HydrophobicContact CD1-CG 4.49Å; F9-Q13 HydrophobicContact CE1-CG 4.16Å; F9-Q13 HydrophobicContact CE2-CG 4.27Å; F9-Q13 HydrophobicContact CZ-CG 4.04Å; F9-Q13 VanDerWaalsContact O-CG 3.24Å; F9-Q13 WeakPolarHBondContact O-CG 3.23Å; F9-Q13 PolarHBondContact O-N 3.38Å; F9-Q13 VanDerWaalsContact O-N 3.13Å; I10-Q13 PolarHBondContact O-N 3Å; I10-Q13 VanDerWaalsContact O-N 3.13Å; E11-Q13 VanDerWaalsContact C-N 3.34Å; E11-Q13 PolarHBondContact O-N 2.83Å; Q13-K16 PolarHBondContact O-N 3.42Å; Q13-F17 WeakPolarHBondContact O-CB 3.13Å; Q13-F17 PolarHBondContact O-N 3.01Å |
| 14 | L | 87.8 | Confident | 81 | Confident | 36 Ų | 36 | 79 Ų | 79 | 19% | 0.188 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.7 | -42.5 | 178.2 | -167 | 64 | 0 | 0 | 0 | 111.5 | I10 E11 K16 F17 F18 V378 T381 | I10-L14 WeakPolarHBondContact O-CB 3.5Å; I10-L14 PolarHBondContact O-N 3.04Å; E11-L14 PolarHBondContact O-N 2.9Å; L14-K16 PolarHBondContact O-N 3.06Å; L14-F17 WeakPolarHBondContact O-CB 3.23Å; L14-F17 PolarHBondContact O-N 3.39Å; L14-F18 HydrophobicContact CD1-CD2 4.04Å; L14-F18 HydrophobicContact CD1-CE2 3.47Å; L14-F18 VanDerWaalsContact CD1-CE2 3.47Å; L14-F18 HydrophobicContact CD1-CZ 4.11Å; L14-F18 HydrophobicContact CD2-CE2 4Å; L14-F18 HydrophobicContact CG-CD2 3.78Å; L14-F18 HydrophobicContact CG-CE2 3.47Å; L14-F18 VanDerWaalsContact CG-CE2 3.47Å; L14-F18 VanDerWaalsContact O-CD2 3.23Å; L14-F18 WeakPolarHBondContact O-CD2 3.32Å; L14-F18 PolarHBondContact O-N 3.28Å; L14-V378 HydrophobicContact CB-CG2 4.27Å; L14-V378 HydrophobicContact CD2-CB 4.44Å; L14-V378 HydrophobicContact CD2-CG1 4.24Å; L14-V378 HydrophobicContact CD2-CG2 4.22Å; L14-V378 HydrophobicContact CG-CG2 4.09Å; L14-T381 HydrophobicContact CD2-CG2 4.19Å |
| 15 | S | 89.3 | Confident | 83.4 | Confident | 27 Ų | 27 | 74.1 Ų | 74.1 | 19% | 0.189 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.3 | -45.7 | 174.7 | -178.4 | 0 | 0 | 0 | 0 | 112 | E11 F18 D19 S374 | E11-S15 VanDerWaalsContact O-CB 3.31Å; E11-S15 WeakPolarHBondContact O-CB 3.41Å; E11-S15 PolarHBondContact O-N 3.24Å; S15-F18 PolarHBondContact O-N 3.31Å; S15-D19 WeakPolarHBondContact O-CB 3.46Å; S15-D19 PolarHBondContact O-N 2.88Å; S15-S374 WeakPolarHBondContact CA-O 3.43Å; S15-S374 VanDerWaalsContact CB-O 3.3Å; S15-S374 WeakPolarHBondContact CB-O 3.49Å; S15-S374 PolarHBondContact OG-O 3.45Å |
| 16 | K | 92.3 | Very high | 85.8 | Confident | 95 Ų | 95 | 65.9 Ų | 65.9 | 41% | 0.413 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.4 | -41 | 174.4 | -74.6 | 174.4 | -178.4 | -179.4 | 0 | 112.7 | R12 Q13 L14 D19 V20 | R12-K16 VanDerWaalsContact O-CG 3.25Å; R12-K16 WeakPolarHBondContact O-CG 3.33Å; R12-K16 PolarHBondContact O-N 2.93Å; Q13-K16 PolarHBondContact O-N 3.42Å; L14-K16 PolarHBondContact O-N 3.06Å; K16-D19 PolarHBondContact O-N 3.03Å; K16-V20 WeakPolarHBondContact O-CG2 3.36Å; K16-V20 PolarHBondContact O-N 2.79Å |
| 17 | F | 94.5 | Very high | 87.8 | Confident | 119 Ų | 119 | 66 Ų | 66 | 52% | 0.522 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.4 | -49.1 | 176.9 | 170.4 | -97 | 0 | 0 | 0 | 110.3 | Q13 L14 D19 V20 Y21 | Q13-F17 WeakPolarHBondContact O-CB 3.13Å; Q13-F17 PolarHBondContact O-N 3.01Å; L14-F17 WeakPolarHBondContact O-CB 3.23Å; L14-F17 PolarHBondContact O-N 3.39Å; F17-D19 PolarHBondContact O-N 2.9Å; F17-V20 PolarHBondContact O-N 2.93Å; F17-Y21 HydrophobicContact CZ-CG 4.48Å; F17-Y21 WeakPolarHBondContact O-CB 3.35Å; F17-Y21 PolarHBondContact O-N 3.49Å |
| 18 | F | 94.5 | Very high | 89.5 | Confident | 6 Ų | 6 | 67.8 Ų | 67.8 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69.1 | -31 | 179.2 | -73.4 | -56.5 | 0 | 0 | 0 | 113.6 | L14 S15 Y21 S22 A377 V378 T381 L421 | L14-F18 HydrophobicContact CD1-CD2 4.04Å; L14-F18 HydrophobicContact CD1-CE2 3.47Å; L14-F18 VanDerWaalsContact CD1-CE2 3.47Å; L14-F18 HydrophobicContact CD1-CZ 4.11Å; L14-F18 HydrophobicContact CD2-CE2 4Å; L14-F18 HydrophobicContact CG-CD2 3.78Å; L14-F18 HydrophobicContact CG-CE2 3.47Å; L14-F18 VanDerWaalsContact CG-CE2 3.47Å; L14-F18 VanDerWaalsContact O-CD2 3.23Å; L14-F18 WeakPolarHBondContact O-CD2 3.32Å; L14-F18 PolarHBondContact O-N 3.28Å; S15-F18 PolarHBondContact O-N 3.31Å; F18-Y21 HydrophobicContact CD1-CD1 4.42Å; F18-S22 WeakPolarHBondContact O-CB 3.49Å; F18-S22 PolarHBondContact O-N 2.71Å; F18-S22 PolarHBondContact O-OG 3.12Å; F18-A377 HydrophobicContact CB-CB 3.89Å; F18-A377 HydrophobicContact CD1-CB 3.58Å; F18-A377 HydrophobicContact CD2-CB 3.46Å; F18-A377 VanDerWaalsContact CD2-CB 3.46Å; F18-A377 HydrophobicContact CE1-CB 3.87Å; F18-A377 HydrophobicContact CE2-CB 3.73Å; F18-A377 HydrophobicContact CG-CB 3.37Å; F18-A377 HydrophobicContact CZ-CB 3.95Å; F18-V378 HydrophobicContact CD2-CG2 4.09Å; F18-T381 WeakPolarHBondContact CE2-OG1 3.15Å; F18-T381 WeakPolarHBondContact CZ-OG1 3.29Å; F18-L421 HydrophobicContact CE1-CD1 4.2Å; F18-L421 HydrophobicContact CE1-CD2 3.89Å; F18-L421 HydrophobicContact CZ-CD2 4.46Å |
| 19 | D | 93.7 | Very high | 90.8 | Very high | 37 Ų | 37 | 65.5 Ų | 65.5 | 20% | 0.198 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.4 | -50.8 | 170 | -179.9 | 36.7 | 0 | 0 | 0 | 111.1 | S15 K16 F17 S22 R23 G370 | S15-D19 WeakPolarHBondContact O-CB 3.46Å; S15-D19 PolarHBondContact O-N 2.88Å; K16-D19 PolarHBondContact O-N 3.03Å; F17-D19 PolarHBondContact O-N 2.9Å; D19-S22 PolarHBondContact O-OG 3.33Å; D19-R23 WeakPolarHBondContact O-CD 3.32Å; D19-R23 WeakPolarHBondContact O-CG 3.31Å; D19-R23 PolarHBondContact O-N 3Å; D19-R23 IonicContact OD1-CZ 3.86Å; D19-R23 VanDerWaalsContact OD1-CZ 3.25Å; D19-R23 IonicContact OD1-NE 3.48Å; D19-R23 PolarHBondContact OD1-NE 3.38Å; D19-R23 IonicContact OD1-NH2 2.72Å; D19-R23 PolarHBondContact OD1-NH2 3.45Å; D19-R23 IonicContact OD2-CZ 3.97Å; D19-R23 IonicContact OD2-NE 3.89Å; D19-R23 IonicContact OD2-NH2 3.01Å; D19-R23 PolarHBondContact OD2-NH2 3.26Å; D19-G370 VanDerWaalsContact OD1-C 3.31Å; D19-G370 WeakPolarHBondContact OD1-CA 3.41Å |
| 20 | V | 95.3 | Very high | 91.7 | Very high | 99 Ų | 99 | 66.5 Ų | 66.5 | 60% | 0.6 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -67.8 | -45.1 | 179.7 | 176.1 | 0 | 0 | 0 | 0 | 111.8 | K16 F17 R23 F24 | K16-V20 WeakPolarHBondContact O-CG2 3.36Å; K16-V20 PolarHBondContact O-N 2.79Å; F17-V20 PolarHBondContact O-N 2.93Å; V20-R23 PolarHBondContact O-N 3.37Å; V20-F24 PolarHBondContact O-N 3.18Å; V20-F24 VanDerWaalsContact O-N 3.07Å |
| 21 | Y | 95.9 | Very high | 92.3 | Very high | 47 Ų | 47 | 67.2 Ų | 67.2 | 18% | 0.184 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.7 | -48 | -179.1 | 175.1 | -105.1 | 0 | 0 | 0 | 111.7 | F17 F18 R23 F24 V25 F32 L421 M425 | F17-Y21 HydrophobicContact CZ-CG 4.48Å; F17-Y21 WeakPolarHBondContact O-CB 3.35Å; F17-Y21 PolarHBondContact O-N 3.49Å; F18-Y21 HydrophobicContact CD1-CD1 4.42Å; Y21-R23 VanDerWaalsContact C-N 3.34Å; Y21-R23 PolarHBondContact O-N 3.04Å; Y21-F24 WeakPolarHBondContact O-CA 3.37Å; Y21-F24 WeakPolarHBondContact O-CB 3.4Å; Y21-F24 PolarHBondContact O-N 3.06Å; Y21-V25 HydrophobicContact CD1-CG2 4.22Å; Y21-V25 HydrophobicContact CD2-CG2 4.35Å; Y21-V25 HydrophobicContact CE1-CG2 3.77Å; Y21-V25 HydrophobicContact CE2-CG2 3.92Å; Y21-V25 WeakPolarHBondContact O-CG2 3.21Å; Y21-V25 PolarHBondContact O-N 3.49Å; Y21-F32 HydrophobicContact CE2-CE1 4.13Å; Y21-F32 HydrophobicContact CE2-CZ 4.4Å; Y21-L421 PolarHBondContact OH-O 3.02Å; Y21-M425 HydrophobicContact CD1-CE 4.13Å; Y21-M425 HydrophobicContact CD1-SD 3.95Å; Y21-M425 HydrophobicContact CE1-CE 3.91Å; Y21-M425 HydrophobicContact CE1-SD 3.84Å |
| 22 | S | 94.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.3 | -34.9 | -179.6 | 62.8 | 0 | 0 | 0 | 0 | 112.7 | F18 D19 F24 V25 S26 G370 | F18-S22 WeakPolarHBondContact O-CB 3.49Å; F18-S22 PolarHBondContact O-N 2.71Å; F18-S22 PolarHBondContact O-OG 3.12Å; D19-S22 PolarHBondContact O-OG 3.33Å; S22-F24 VanDerWaalsContact C-N 3.31Å; S22-F24 PolarHBondContact O-N 3.36Å; S22-V25 PolarHBondContact O-N 3.26Å; S22-S26 WeakPolarHBondContact O-CB 3.48Å; S22-S26 PolarHBondContact O-N 3.2Å; S22-G370 WeakPolarHBondContact OG-CA 3.36Å |
| 23 | R | 94.9 | Very high | 93.4 | Very high | 65 Ų | 65 | 61.7 Ų | 61.7 | 25% | 0.245 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 169.6 | -72.6 | 172.8 | -162.8 | -126.3 | 4.7 | 111.9 | D19 V20 Y21 S26 R27 E366 D367 | D19-R23 WeakPolarHBondContact O-CD 3.32Å; D19-R23 WeakPolarHBondContact O-CG 3.31Å; D19-R23 PolarHBondContact O-N 3Å; D19-R23 IonicContact OD1-CZ 3.86Å; D19-R23 VanDerWaalsContact OD1-CZ 3.25Å; D19-R23 IonicContact OD1-NE 3.48Å; D19-R23 PolarHBondContact OD1-NE 3.38Å; D19-R23 IonicContact OD1-NH2 2.72Å; D19-R23 PolarHBondContact OD1-NH2 3.45Å; D19-R23 IonicContact OD2-CZ 3.97Å; D19-R23 IonicContact OD2-NE 3.89Å; D19-R23 IonicContact OD2-NH2 3.01Å; D19-R23 PolarHBondContact OD2-NH2 3.26Å; V20-R23 PolarHBondContact O-N 3.37Å; Y21-R23 VanDerWaalsContact C-N 3.34Å; Y21-R23 PolarHBondContact O-N 3.04Å; R23-S26 PolarHBondContact O-N 3.44Å; R23-R27 WeakPolarHBondContact O-CG 3.43Å; R23-R27 PolarHBondContact O-N 3.3Å; R23-R27 VanDerWaalsContact O-N 3.16Å; R23-E366 HydrophobicContact CG-CB 4.45Å; R23-E366 VanDerWaalsContact CG-O 3.31Å; R23-E366 WeakPolarHBondContact CG-O 3.23Å; R23-D367 IonicContact CZ-OD1 3.71Å; R23-D367 IonicContact NH1-OD1 3.58Å; R23-D367 PolarHBondContact NH1-OD1 3.07Å; R23-D367 IonicContact NH2-OD1 3.22Å |
| 24 | F | 95 | Very high | 93.8 | Very high | 105 Ų | 105 | 61.1 Ų | 61.1 | 46% | 0.461 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.3 | -50.1 | 177.1 | -179.7 | -100.8 | 0 | 0 | 0 | 111.9 | V20 Y21 S22 S26 R27 H28 F32 | V20-F24 PolarHBondContact O-N 3.18Å; V20-F24 VanDerWaalsContact O-N 3.07Å; Y21-F24 WeakPolarHBondContact O-CA 3.37Å; Y21-F24 WeakPolarHBondContact O-CB 3.4Å; Y21-F24 PolarHBondContact O-N 3.06Å; S22-F24 VanDerWaalsContact C-N 3.31Å; S22-F24 PolarHBondContact O-N 3.36Å; F24-S26 PolarHBondContact O-N 2.87Å; F24-R27 WeakPolarHBondContact O-CB 3.28Å; F24-R27 PolarHBondContact O-N 2.89Å; F24-H28 AromaticContact CE2-CD2 3.98Å; F24-H28 PolarHBondContact O-N 2.87Å; F24-F32 AromaticContact CD1-CE2 3.9Å; F24-F32 HydrophobicContact CD1-CE2 3.9Å; F24-F32 AromaticContact CD1-CZ 3.86Å; F24-F32 HydrophobicContact CD1-CZ 3.86Å; F24-F32 AromaticContact CE1-CE2 3.73Å; F24-F32 HydrophobicContact CE1-CE2 3.73Å; F24-F32 AromaticContact CE1-CZ 3.71Å; F24-F32 HydrophobicContact CE1-CZ 3.71Å |
| 25 | V | 94.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57 | -41.5 | 174.7 | 175.5 | 0 | 0 | 0 | 0 | 110.6 | Y21 S22 R27 H28 P29 F32 M425 A426 | Y21-V25 HydrophobicContact CD1-CG2 4.22Å; Y21-V25 HydrophobicContact CD2-CG2 4.35Å; Y21-V25 HydrophobicContact CE1-CG2 3.77Å; Y21-V25 HydrophobicContact CE2-CG2 3.92Å; Y21-V25 WeakPolarHBondContact O-CG2 3.21Å; Y21-V25 PolarHBondContact O-N 3.49Å; S22-V25 PolarHBondContact O-N 3.26Å; V25-R27 VanDerWaalsContact C-N 3.27Å; V25-R27 PolarHBondContact O-N 3.46Å; V25-H28 CarbonylContact O-C 3.14Å; V25-H28 PolarHBondContact O-N 2.7Å; V25-P29 WeakPolarHBondContact O-CA 3.48Å; V25-P29 VanDerWaalsContact O-N 3.09Å; V25-F32 HydrophobicContact CB-CD2 4.27Å; V25-F32 HydrophobicContact CB-CE2 4.38Å; V25-F32 HydrophobicContact CG1-CB 4.29Å; V25-F32 HydrophobicContact CG1-CD2 4.09Å; V25-F32 HydrophobicContact CG1-CG 4.17Å; V25-F32 HydrophobicContact CG2-CD1 4.14Å; V25-F32 HydrophobicContact CG2-CD2 3.99Å; V25-F32 HydrophobicContact CG2-CE1 4Å; V25-F32 HydrophobicContact CG2-CE2 3.85Å; V25-F32 HydrophobicContact CG2-CG 4.14Å; V25-F32 HydrophobicContact CG2-CZ 3.85Å; V25-M425 HydrophobicContact CB-SD 4.3Å; V25-M425 HydrophobicContact CG1-CB 4.42Å; V25-M425 HydrophobicContact CG1-CG 4.22Å; V25-M425 HydrophobicContact CG1-SD 4.47Å; V25-M425 HydrophobicContact CG2-SD 4.26Å; V25-A426 HydrophobicContact CG1-CB 3.97Å |
| 26 | S | 92.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.6 | -28.3 | 177.8 | -179.6 | 0 | 0 | 0 | 0 | 113.9 | S22 R23 F24 R433 | S22-S26 WeakPolarHBondContact O-CB 3.48Å; S22-S26 PolarHBondContact O-N 3.2Å; R23-S26 PolarHBondContact O-N 3.44Å; F24-S26 PolarHBondContact O-N 2.87Å; S26-R433 PolarHBondContact O-NH2 3.41Å |
| 27 | R | 93.7 | Very high | 94.6 | Very high | 152 Ų | 152 | 64.3 Ų | 64.3 | 57% | 0.574 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -75.6 | -40.7 | 173.9 | -72.2 | 173.6 | -176.4 | 170.4 | 2.4 | 111.2 | R23 F24 V25 P29 E366 R433 | R23-R27 WeakPolarHBondContact O-CG 3.43Å; R23-R27 PolarHBondContact O-N 3.3Å; R23-R27 VanDerWaalsContact O-N 3.16Å; F24-R27 WeakPolarHBondContact O-CB 3.28Å; F24-R27 PolarHBondContact O-N 2.89Å; V25-R27 VanDerWaalsContact C-N 3.27Å; V25-R27 PolarHBondContact O-N 3.46Å; R27-P29 VanDerWaalsContact C-CD 3.48Å; R27-P29 WeakPolarHBondContact O-CD 3.39Å; R27-E366 HydrophobicContact CG-CG 4.3Å; R27-R433 PolarHBondContact O-NH2 3.5Å |
| 28 | H | 94.4 | Very high | 94.7 | Very high | 102 Ų | 102 | 63.7 Ų | 63.7 | 47% | 0.472 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -123.1 | 67.6 | -175 | -56.8 | -69.6 | 0 | 0 | 0 | 112.5 | F24 V25 W30 P31 F32 | F24-H28 AromaticContact CE2-CD2 3.98Å; F24-H28 PolarHBondContact O-N 2.87Å; V25-H28 CarbonylContact O-C 3.14Å; V25-H28 PolarHBondContact O-N 2.7Å; H28-W30 PolarHBondContact O-N 3.01Å; H28-P31 WeakPolarHBondContact O-CD 2.98Å; H28-F32 VanDerWaalsContact O-CD2 3.29Å; H28-F32 WeakPolarHBondContact O-CD2 3.25Å |
| 29 | P | 93.4 | Very high | 94.7 | Very high | 3 Ų | 3 | 67.5 Ų | 67.5 | 2% | 0.019 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -33.8 | -173 | 25.3 | -34.2 | 0 | 0 | 0 | 114 | V25 R27 F32 I33 A426 L430 | V25-P29 WeakPolarHBondContact O-CA 3.48Å; V25-P29 VanDerWaalsContact O-N 3.09Å; R27-P29 VanDerWaalsContact C-CD 3.48Å; R27-P29 WeakPolarHBondContact O-CD 3.39Å; P29-F32 PolarHBondContact O-N 3.15Å; P29-I33 PolarHBondContact O-N 3.16Å; P29-A426 HydrophobicContact CB-CB 4.06Å; P29-A426 WeakPolarHBondContact O-CB 3.43Å; P29-L430 HydrophobicContact CB-CD2 4.13Å; P29-L430 HydrophobicContact CB-CG 4.08Å; P29-L430 HydrophobicContact CG-CD2 3.64Å; P29-L430 HydrophobicContact CG-CG 4.17Å |
| 30 | W | 94.7 | Very high | 94.9 | Very high | 167 Ų | 167 | 66 Ų | 66 | 63% | 0.633 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -46.1 | -171.7 | -68.2 | 115.3 | 0 | 0 | 0 | 115.1 | H28 F32 I33 V34 | H28-W30 PolarHBondContact O-N 3.01Å; W30-F32 VanDerWaalsContact C-N 3.25Å; W30-F32 PolarHBondContact O-N 3.29Å; W30-I33 HydrophobicContact CE3-CD1 4.42Å; W30-I33 PolarHBondContact O-N 3.48Å; W30-V34 WeakPolarHBondContact O-CG2 3.41Å; W30-V34 PolarHBondContact O-N 2.95Å |
| 31 | P | 95.1 | Very high | 94.8 | Very high | 79 Ų | 79 | 66 Ų | 66 | 51% | 0.513 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -56.3 | -38.4 | 174.4 | -27.3 | 35.2 | 0 | 0 | 0 | 113.6 | H28 I33 F35 | H28-P31 WeakPolarHBondContact O-CD 2.98Å; P31-I33 PolarHBondContact O-N 3.22Å; P31-F35 WeakPolarHBondContact O-CB 3.42Å; P31-F35 PolarHBondContact O-N 3.28Å; P31-F35 VanDerWaalsContact O-N 3.09Å |
| 32 | F | 94.7 | Very high | 94.8 | Very high | 39 Ų | 39 | 66.6 Ų | 66.6 | 17% | 0.171 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -75.4 | -6 | 179 | -70.3 | -81.8 | 0 | 0 | 0 | 114.1 | Y21 F24 V25 H28 P29 W30 P36 T422 I423 A426 | Y21-F32 HydrophobicContact CE2-CE1 4.13Å; Y21-F32 HydrophobicContact CE2-CZ 4.4Å; F24-F32 AromaticContact CD1-CE2 3.9Å; F24-F32 HydrophobicContact CD1-CE2 3.9Å; F24-F32 AromaticContact CD1-CZ 3.86Å; F24-F32 HydrophobicContact CD1-CZ 3.86Å; F24-F32 AromaticContact CE1-CE2 3.73Å; F24-F32 HydrophobicContact CE1-CE2 3.73Å; F24-F32 AromaticContact CE1-CZ 3.71Å; F24-F32 HydrophobicContact CE1-CZ 3.71Å; V25-F32 HydrophobicContact CB-CD2 4.27Å; V25-F32 HydrophobicContact CB-CE2 4.38Å; V25-F32 HydrophobicContact CG1-CB 4.29Å; V25-F32 HydrophobicContact CG1-CD2 4.09Å; V25-F32 HydrophobicContact CG1-CG 4.17Å; V25-F32 HydrophobicContact CG2-CD1 4.14Å; V25-F32 HydrophobicContact CG2-CD2 3.99Å; V25-F32 HydrophobicContact CG2-CE1 4Å; V25-F32 HydrophobicContact CG2-CE2 3.85Å; V25-F32 HydrophobicContact CG2-CG 4.14Å; V25-F32 HydrophobicContact CG2-CZ 3.85Å; H28-F32 VanDerWaalsContact O-CD2 3.29Å; H28-F32 WeakPolarHBondContact O-CD2 3.25Å; P29-F32 PolarHBondContact O-N 3.15Å; W30-F32 VanDerWaalsContact C-N 3.25Å; W30-F32 PolarHBondContact O-N 3.29Å; F32-P36 WeakPolarHBondContact O-CD 3.44Å; F32-P36 VanDerWaalsContact O-CG 3.32Å; F32-P36 WeakPolarHBondContact O-CG 3.22Å; F32-T422 HydrophobicContact CD1-CG2 4.24Å; F32-T422 CarbonylContact O-C 3.58Å; F32-I423 PolarHBondContact O-N 3.4Å; F32-A426 HydrophobicContact CB-CB 3.96Å |
| 33 | I | 94.2 | Very high | 94.8 | Very high | 29 Ų | 29 | 68.4 Ų | 68.4 | 15% | 0.149 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -99.4 | -51.9 | 170.8 | -62.7 | 169.7 | 0 | 0 | 0 | 109.4 | P29 W30 P31 L37 A426 V427 L430 | P29-I33 PolarHBondContact O-N 3.16Å; W30-I33 HydrophobicContact CE3-CD1 4.42Å; W30-I33 PolarHBondContact O-N 3.48Å; P31-I33 PolarHBondContact O-N 3.22Å; I33-L37 WeakPolarHBondContact O-CB 3.17Å; I33-L37 PolarHBondContact O-N 3.45Å; I33-L37 VanDerWaalsContact O-N 3.15Å; I33-A426 HydrophobicContact CD1-CB 3.99Å; I33-A426 HydrophobicContact CG1-CB 3.57Å; I33-V427 HydrophobicContact CD1-CG2 3.98Å; I33-V427 HydrophobicContact CG1-CG2 4.35Å; I33-L430 HydrophobicContact CD1-CD1 3.74Å |
| 34 | V | 95.2 | Very high | 94.8 | Very high | 76 Ų | 76 | 66.7 Ų | 66.7 | 46% | 0.461 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.4 | -48.4 | -171.8 | 177.1 | 0 | 0 | 0 | 0 | 111.8 | W30 L37 L38 | W30-V34 WeakPolarHBondContact O-CG2 3.41Å; W30-V34 PolarHBondContact O-N 2.95Å; V34-L37 PolarHBondContact O-N 2.94Å; V34-L38 HydrophobicContact CG1-CD1 4.03Å; V34-L38 HydrophobicContact CG1-CG 4.46Å; V34-L38 WeakPolarHBondContact O-CG 3.33Å; V34-L38 PolarHBondContact O-N 2.78Å |
| 35 | F | 95.6 | Very high | 94.8 | Very high | 144 Ų | 144 | 65 Ų | 65 | 63% | 0.632 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -65.3 | -49.4 | -175.8 | 174.1 | -92.9 | 0 | 0 | 0 | 112.5 | P31 L37 L38 L39 | P31-F35 WeakPolarHBondContact O-CB 3.42Å; P31-F35 PolarHBondContact O-N 3.28Å; P31-F35 VanDerWaalsContact O-N 3.09Å; F35-L37 VanDerWaalsContact C-N 3.3Å; F35-L37 PolarHBondContact O-N 2.97Å; F35-L38 PolarHBondContact O-N 3.48Å; F35-L39 PolarHBondContact O-N 3.43Å |
| 36 | P | 95.2 | Very high | 94.7 | Very high | 11 Ų | 11 | 65 Ų | 65 | 7% | 0.071 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.6 | -35.8 | 175.5 | -25.1 | 37.5 | 0 | 0 | 0 | 112.7 | F32 L39 N40 T422 I423 | F32-P36 WeakPolarHBondContact O-CD 3.44Å; F32-P36 VanDerWaalsContact O-CG 3.32Å; F32-P36 WeakPolarHBondContact O-CG 3.22Å; P36-L39 PolarHBondContact O-N 3.19Å; P36-N40 WeakPolarHBondContact O-CB 3.34Å; P36-N40 PolarHBondContact O-N 3.21Å; P36-N40 PolarHBondContact O-ND2 3.48Å; P36-T422 HydrophobicContact CG-CG2 4.17Å; P36-I423 HydrophobicContact CB-CD1 3.99Å; P36-I423 HydrophobicContact CB-CG1 3.81Å; P36-I423 HydrophobicContact CG-CG1 4.39Å |
| 37 | L | 94.9 | Very high | 94.6 | Very high | 71 Ų | 71 | 68.5 Ų | 68.5 | 37% | 0.372 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 176.4 | -173.2 | 68.6 | 0 | 0 | 0 | 111.7 | I33 V34 F35 N40 I41 I314 | I33-L37 WeakPolarHBondContact O-CB 3.17Å; I33-L37 PolarHBondContact O-N 3.45Å; I33-L37 VanDerWaalsContact O-N 3.15Å; V34-L37 PolarHBondContact O-N 2.94Å; F35-L37 VanDerWaalsContact C-N 3.3Å; F35-L37 PolarHBondContact O-N 2.97Å; L37-N40 PolarHBondContact O-N 2.69Å; L37-I41 HydrophobicContact CG-CD1 4.26Å; L37-I41 VanDerWaalsContact O-CG1 3.29Å; L37-I41 WeakPolarHBondContact O-CG1 3.43Å; L37-I41 PolarHBondContact O-N 2.91Å; L37-I314 HydrophobicContact CD1-CD1 4.19Å |
| 38 | L | 96 | Very high | 94.4 | Very high | 105 Ų | 105 | 68.2 Ų | 68.2 | 55% | 0.55 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 175 | -69.3 | 174.1 | 0 | 0 | 0 | 112 | V34 F35 I41 A42 | V34-L38 HydrophobicContact CG1-CD1 4.03Å; V34-L38 HydrophobicContact CG1-CG 4.46Å; V34-L38 WeakPolarHBondContact O-CG 3.33Å; V34-L38 PolarHBondContact O-N 2.78Å; F35-L38 PolarHBondContact O-N 3.48Å; L38-I41 PolarHBondContact O-N 3.32Å; L38-A42 WeakPolarHBondContact O-CB 3.2Å; L38-A42 PolarHBondContact O-N 3.43Å |
| 39 | L | 95.9 | Very high | 94.2 | Very high | 86 Ų | 86 | 71 Ų | 71 | 45% | 0.45 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 175.3 | 179.5 | 63.2 | 0 | 0 | 0 | 111.4 | F35 P36 I41 A42 L43 | F35-L39 PolarHBondContact O-N 3.43Å; P36-L39 PolarHBondContact O-N 3.19Å; L39-I41 VanDerWaalsContact C-N 3.34Å; L39-I41 PolarHBondContact O-N 2.85Å; L39-A42 PolarHBondContact O-N 3.4Å; L39-L43 HydrophobicContact CD1-CD1 4.41Å; L39-L43 HydrophobicContact CD1-CG 4.39Å; L39-L43 HydrophobicContact CG-CD1 4.24Å; L39-L43 WeakPolarHBondContact O-CG 3.39Å; L39-L43 PolarHBondContact O-N 3.05Å |
| 40 | N | 96.5 | Very high | 93.9 | Very high | 6 Ų | 6 | 74.9 Ų | 74.9 | 3% | 0.032 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62 | -41.5 | 177.4 | -80 | -75.8 | 0 | 0 | 0 | 111.8 | P36 L37 L43 S44 I314 S318 N419 | P36-N40 WeakPolarHBondContact O-CB 3.34Å; P36-N40 PolarHBondContact O-N 3.21Å; P36-N40 PolarHBondContact O-ND2 3.48Å; L37-N40 PolarHBondContact O-N 2.69Å; N40-L43 PolarHBondContact O-N 3.42Å; N40-S44 VanDerWaalsContact O-CB 3.26Å; N40-S44 WeakPolarHBondContact O-CB 3.44Å; N40-S44 PolarHBondContact O-N 2.94Å; N40-S44 PolarHBondContact O-OG 3.19Å; N40-I314 HydrophobicContact CB-CG2 3.44Å; N40-I314 VanDerWaalsContact CB-CG2 3.44Å; N40-I314 VanDerWaalsContact CG-CG2 3.5Å; N40-S318 WeakPolarHBondContact CA-OG 3.33Å; N40-S318 WeakPolarHBondContact CB-OG 3.24Å; N40-S318 VanDerWaalsContact CG-OG 3.28Å; N40-S318 PolarHBondContact O-OG 3.34Å; N40-S318 VanDerWaalsContact O-OG 3.14Å; N40-S318 WeakPolarHBondContact OD1-CB 3.24Å; N40-S318 PolarHBondContact OD1-OG 3.29Å; N40-N419 PolarHBondContact ND2-ND2 2.87Å; N40-N419 PolarHBondContact ND2-OD1 3.29Å; N40-N419 PolarHBondContact OD1-ND2 3Å |
| 41 | I | 94.4 | Very high | 93.5 | Very high | 99 Ų | 99 | 72 Ų | 72 | 51% | 0.508 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 175.1 | -69.1 | 164.4 | 0 | 0 | 0 | 110.2 | L37 L38 L39 L43 S44 V45 | L37-I41 HydrophobicContact CG-CD1 4.26Å; L37-I41 VanDerWaalsContact O-CG1 3.29Å; L37-I41 WeakPolarHBondContact O-CG1 3.43Å; L37-I41 PolarHBondContact O-N 2.91Å; L38-I41 PolarHBondContact O-N 3.32Å; L39-I41 VanDerWaalsContact C-N 3.34Å; L39-I41 PolarHBondContact O-N 2.85Å; I41-L43 PolarHBondContact O-N 3Å; I41-S44 PolarHBondContact O-N 2.65Å; I41-V45 PolarHBondContact O-N 3.48Å |
| 42 | A | 95.2 | Very high | 93 | Very high | 59 Ų | 59 | 71.6 Ų | 71.6 | 49% | 0.488 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.7 | -42.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | L38 L39 V45 | L38-A42 WeakPolarHBondContact O-CB 3.2Å; L38-A42 PolarHBondContact O-N 3.43Å; L39-A42 PolarHBondContact O-N 3.4Å; A42-V45 WeakPolarHBondContact O-CB 3.34Å; A42-V45 PolarHBondContact O-N 3.43Å |
| 43 | L | 95.7 | Very high | 92.6 | Very high | 39 Ų | 39 | 71.8 Ų | 71.8 | 20% | 0.204 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.2 | -39.2 | 176.4 | -67.7 | 177.3 | 0 | 0 | 0 | 112.2 | L39 N40 I41 V45 G46 G321 L322 | L39-L43 HydrophobicContact CD1-CD1 4.41Å; L39-L43 HydrophobicContact CD1-CG 4.39Å; L39-L43 HydrophobicContact CG-CD1 4.24Å; L39-L43 WeakPolarHBondContact O-CG 3.39Å; L39-L43 PolarHBondContact O-N 3.05Å; N40-L43 PolarHBondContact O-N 3.42Å; I41-L43 PolarHBondContact O-N 3Å; L43-V45 PolarHBondContact O-N 2.99Å; L43-G46 PolarHBondContact O-N 2.94Å; L43-G321 CarbonylContact O-C 3.56Å; L43-G321 VanDerWaalsContact O-CA 3.29Å; L43-G321 WeakPolarHBondContact O-CA 3.29Å; L43-L322 HydrophobicContact CD2-CB 4.35Å; L43-L322 HydrophobicContact CD2-CD1 3.99Å |
| 44 | S | 94.9 | Very high | 92.1 | Very high | 29 Ų | 29 | 72 Ų | 72 | 20% | 0.203 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.5 | -18.2 | 179.7 | -62 | 0 | 0 | 0 | 0 | 113.4 | N40 I41 G46 L47 S318 | N40-S44 VanDerWaalsContact O-CB 3.26Å; N40-S44 WeakPolarHBondContact O-CB 3.44Å; N40-S44 PolarHBondContact O-N 2.94Å; N40-S44 PolarHBondContact O-OG 3.19Å; I41-S44 PolarHBondContact O-N 2.65Å; S44-G46 PolarHBondContact O-N 2.87Å; S44-G46 VanDerWaalsContact O-N 3.15Å; S44-L47 VanDerWaalsContact O-CB 3.32Å; S44-L47 WeakPolarHBondContact O-CB 3.36Å; S44-L47 VanDerWaalsContact O-CG 3.32Å; S44-L47 WeakPolarHBondContact O-CG 3.47Å; S44-L47 PolarHBondContact O-N 3.34Å; S44-S318 PolarHBondContact OG-OG 2.85Å |
| 45 | V | 94.3 | Very high | 91.7 | Very high | 70 Ų | 70 | 71.6 Ų | 71.6 | 42% | 0.424 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -56.6 | -27.6 | 170.7 | 176.2 | 0 | 0 | 0 | 0 | 111.5 | I41 A42 L43 L47 L48 | I41-V45 PolarHBondContact O-N 3.48Å; A42-V45 WeakPolarHBondContact O-CB 3.34Å; A42-V45 PolarHBondContact O-N 3.43Å; L43-V45 PolarHBondContact O-N 2.99Å; V45-L47 PolarHBondContact O-N 3.04Å; V45-L47 VanDerWaalsContact O-N 3.1Å; V45-L48 HydrophobicContact CG1-CD1 4.31Å; V45-L48 WeakPolarHBondContact O-CB 3.47Å; V45-L48 WeakPolarHBondContact O-CG 3.48Å; V45-L48 PolarHBondContact O-N 3.12Å |
| 46 | G | 91.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -59.3 | -18.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L43 S44 L48 Y49 G321 N324 | L43-G46 PolarHBondContact O-N 2.94Å; S44-G46 PolarHBondContact O-N 2.87Å; S44-G46 VanDerWaalsContact O-N 3.15Å; G46-L48 PolarHBondContact O-N 2.83Å; G46-Y49 PolarHBondContact O-N 2.84Å; G46-G321 WeakPolarHBondContact CA-O 3.4Å; G46-N324 VanDerWaalsContact O-CB 3.28Å; G46-N324 WeakPolarHBondContact O-CB 3.45Å; G46-N324 PolarHBondContact O-ND2 3.27Å |
| 47 | L | 90.9 | Very high | 90.7 | Very high | 72 Ų | 72 | 66.1 Ų | 66.1 | 38% | 0.377 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -61.1 | -25 | 172.7 | -66.7 | 172.8 | 0 | 0 | 0 | 112.5 | S44 V45 Y49 V320 | S44-L47 VanDerWaalsContact O-CB 3.32Å; S44-L47 WeakPolarHBondContact O-CB 3.36Å; S44-L47 VanDerWaalsContact O-CG 3.32Å; S44-L47 WeakPolarHBondContact O-CG 3.47Å; S44-L47 PolarHBondContact O-N 3.34Å; V45-L47 PolarHBondContact O-N 3.04Å; V45-L47 VanDerWaalsContact O-N 3.1Å; L47-Y49 PolarHBondContact O-N 3Å; L47-V320 HydrophobicContact CD2-CB 3.83Å; L47-V320 HydrophobicContact CD2-CG1 3.47Å; L47-V320 VanDerWaalsContact CD2-CG1 3.47Å |
| 48 | L | 90.5 | Very high | 90.4 | Very high | 146 Ų | 146 | 67.3 Ų | 67.3 | 76% | 0.764 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -71.6 | -18.6 | 175.4 | -59.7 | 178.6 | 0 | 0 | 0 | 113.2 | V45 G46 | V45-L48 HydrophobicContact CG1-CD1 4.31Å; V45-L48 WeakPolarHBondContact O-CB 3.47Å; V45-L48 WeakPolarHBondContact O-CG 3.48Å; V45-L48 PolarHBondContact O-N 3.12Å; G46-L48 PolarHBondContact O-N 2.83Å |
| 49 | Y | 89.5 | Confident | 90.1 | Very high | 160 Ų | 160 | 62.3 Ų | 62.3 | 63% | 0.627 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -105.2 | 27.3 | -179.8 | -62.1 | -80.8 | 0 | 0 | 0 | 111.8 | G46 L47 H51 L325 | G46-Y49 PolarHBondContact O-N 2.84Å; L47-Y49 PolarHBondContact O-N 3Å; Y49-H51 PolarHBondContact O-N 3.45Å; Y49-L325 HydrophobicContact CD2-CD2 4.09Å |
| 50 | M | 86.6 | Confident | 89.8 | Confident | 86 Ų | 86 | 58.3 Ų | 58.3 | 42% | 0.424 | 30% | 0.3 | S | S | . | . | trans | -68.8 | 116.7 | 178.3 | -169.5 | 172.8 | 77 | 0 | 0 | 110.4 | Y330 | M50-Y330 HydrophobicContact CE-CD1 4.37Å; M50-Y330 HydrophobicContact CG-CD1 4.09Å; M50-Y330 HydrophobicContact CG-CD2 4.35Å; M50-Y330 HydrophobicContact CG-CG 3.78Å; M50-Y330 HydrophobicContact SD-CD1 3.67Å; M50-Y330 HydrophobicContact SD-CD2 4.07Å; M50-Y330 HydrophobicContact SD-CE1 3.94Å; M50-Y330 HydrophobicContact SD-CE2 4.31Å; M50-Y330 HydrophobicContact SD-CG 3.73Å | ||
| 51 | H | 86 | Confident | 89.4 | Confident | 107 Ų | 107 | 58 Ų | 58 | 50% | 0.495 | 30% | 0.298 | S | S | . | . | trans | -104.9 | 108.4 | 170.8 | -175.1 | 49.8 | 0 | 0 | 0 | 109.1 | Y49 Y330 | Y49-H51 PolarHBondContact O-N 3.45Å; H51-Y330 PolarHBondContact O-N 3.14Å | ||
| 52 | E | 85.1 | Confident | 89.2 | Confident | 70 Ų | 70 | 53.3 Ų | 53.3 | 33% | 0.327 | 27% | 0.274 | S | S | . | . | B | Isolated β-bridge | trans | -90.5 | 135.6 | -180 | -175.3 | 172.1 | -179.5 | 0 | 0 | 111.3 | T54 Y330 Q332 | E52-T54 HydrophobicContact CG-CG2 4.08Å; E52-Y330 WeakPolarHBondContact CA-O 3.32Å; E52-Y330 HydrophobicContact CB-CD1 4.49Å; E52-Y330 HydrophobicContact CG-CD1 4.34Å; E52-Q332 WeakPolarHBondContact OE1-CG 3.48Å |
| 53 | I | 86.8 | Confident | 88.9 | Confident | 42 Ų | 42 | 53.6 Ų | 53.6 | 22% | 0.215 | 27% | 0.27 | C | S | . | . | trans | -119.3 | 130 | 169.1 | -65.6 | -178.8 | 0 | 0 | 0 | 108.3 | D55 Y58 I329 Y330 | I53-D55 HydrophobicContact CG2-CB 4.1Å; I53-Y58 HydrophobicContact CG2-CD1 4.32Å; I53-I329 HydrophobicContact CD1-CB 4.12Å; I53-I329 HydrophobicContact CD1-CD1 4.02Å; I53-I329 HydrophobicContact CD1-CG2 3.69Å; I53-I329 HydrophobicContact CG1-CG2 4.4Å; I53-Y330 PolarHBondContact N-O 2.77Å | ||
| 54 | T | 84.5 | Confident | 88.4 | Confident | 34 Ų | 34 | 59.5 Ų | 59.5 | 21% | 0.209 | 30% | 0.296 | C | S | . | . | trans | -113.2 | -1.1 | 179.6 | 59.5 | 0 | 0 | 0 | 0 | 113.4 | E52 A56 | E52-T54 HydrophobicContact CG-CG2 4.08Å; T54-A56 PolarHBondContact O-N 3.01Å | ||
| 55 | D | 86.2 | Confident | 88.1 | Confident | 68 Ų | 68 | 58.3 Ų | 58.3 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | trans | -60.8 | 106.7 | -179.3 | 177.3 | -1.8 | 0 | 0 | 0 | 111.2 | I53 T57 Y58 L59 | I53-D55 HydrophobicContact CG2-CB 4.1Å; D55-T57 VanDerWaalsContact C-N 3.28Å; D55-T57 PolarHBondContact O-N 2.82Å; D55-T57 WeakPolarHBondContact OD1-CA 3.37Å; D55-T57 VanDerWaalsContact OD1-CB 3.29Å; D55-T57 WeakPolarHBondContact OD1-CB 3.47Å; D55-T57 PolarHBondContact OD1-N 3.46Å; D55-Y58 PolarHBondContact O-N 2.88Å; D55-Y58 PolarHBondContact OD1-N 2.66Å; D55-Y58 WeakPolarHBondContact OD2-CB 3.11Å; D55-L59 WeakPolarHBondContact O-CB 3.29Å; D55-L59 VanDerWaalsContact O-CG 3.23Å; D55-L59 WeakPolarHBondContact O-CG 3.33Å; D55-L59 PolarHBondContact O-N 2.93Å | ||
| 56 | A | 84.8 | Confident | 87.9 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.5 | -33.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | T54 Y60 L255 D256 L259 | T54-A56 PolarHBondContact O-N 3.01Å; A56-Y60 HydrophobicContact CB-CD2 4.29Å; A56-Y60 WeakPolarHBondContact O-CD2 3.38Å; A56-Y60 PolarHBondContact O-N 2.86Å; A56-L255 HydrophobicContact CB-CB 4.36Å; A56-L255 HydrophobicContact CB-CD2 3.28Å; A56-L255 HydrophobicContact CB-CG 3.5Å; A56-D256 PolarHBondContact N-OD1 2.84Å; A56-D256 VanDerWaalsContact N-OD1 3.13Å; A56-L259 HydrophobicContact CB-CD1 3.74Å |
| 57 | T | 84.9 | Confident | 87.9 | Confident | 39 Ų | 39 | 59.2 Ų | 59.2 | 24% | 0.239 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.1 | -42.9 | 178.7 | -56.4 | 0 | 0 | 0 | 0 | 109.8 | D55 T61 L720 | D55-T57 VanDerWaalsContact C-N 3.28Å; D55-T57 PolarHBondContact O-N 2.82Å; D55-T57 WeakPolarHBondContact OD1-CA 3.37Å; D55-T57 VanDerWaalsContact OD1-CB 3.29Å; D55-T57 WeakPolarHBondContact OD1-CB 3.47Å; D55-T57 PolarHBondContact OD1-N 3.46Å; T57-T61 HydrophobicContact CG2-CG2 4.38Å; T57-T61 VanDerWaalsContact O-CB 3.31Å; T57-T61 WeakPolarHBondContact O-CB 3.27Å; T57-T61 WeakPolarHBondContact O-CG2 3.48Å; T57-T61 PolarHBondContact O-OG1 3.36Å; T57-L720 HydrophobicContact CG2-CD1 3.86Å |
| 58 | Y | 89.1 | Confident | 87.9 | Confident | 95 Ų | 95 | 57.8 Ų | 57.8 | 37% | 0.373 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.8 | -47.9 | 176.4 | 175.3 | -99.8 | 0 | 0 | 0 | 112 | I53 D55 I329 P400 | I53-Y58 HydrophobicContact CG2-CD1 4.32Å; D55-Y58 PolarHBondContact O-N 2.88Å; D55-Y58 PolarHBondContact OD1-N 2.66Å; D55-Y58 WeakPolarHBondContact OD2-CB 3.11Å; Y58-I329 HydrophobicContact CE1-CD1 3.57Å; Y58-P400 HydrophobicContact CE1-CB 4.15Å; Y58-P400 WeakPolarHBondContact O-CG 3.42Å |
| 59 | L | 89.2 | Confident | 87.9 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.4 | -42.1 | -170.4 | -69.4 | 169.7 | 0 | 0 | 0 | 113.5 | D55 T331 A401 I404 | D55-L59 WeakPolarHBondContact O-CB 3.29Å; D55-L59 VanDerWaalsContact O-CG 3.23Å; D55-L59 WeakPolarHBondContact O-CG 3.33Å; D55-L59 PolarHBondContact O-N 2.93Å; L59-T331 WeakPolarHBondContact CD1-OG1 3.46Å; L59-A401 HydrophobicContact CB-CB 4.33Å; L59-A401 WeakPolarHBondContact O-CB 3.43Å; L59-A401 PolarHBondContact O-N 3.09Å; L59-I404 HydrophobicContact CD2-CD1 3.96Å |
| 60 | Y | 89 | Confident | 88 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -101.4 | -5.1 | -169.3 | -64.7 | -82.2 | 0 | 0 | 0 | 114.3 | A56 L259 A401 L546 L551 Q724 T784 | A56-Y60 HydrophobicContact CB-CD2 4.29Å; A56-Y60 WeakPolarHBondContact O-CD2 3.38Å; A56-Y60 PolarHBondContact O-N 2.86Å; Y60-L259 HydrophobicContact CE2-CD1 3.94Å; Y60-L259 HydrophobicContact CE2-CD2 4.25Å; Y60-A401 HydrophobicContact CD1-CB 4.4Å; Y60-A401 HydrophobicContact CE1-CB 4.36Å; Y60-L546 HydrophobicContact CD1-CD2 3.99Å; Y60-L546 HydrophobicContact CE1-CD2 4.43Å; Y60-L551 HydrophobicContact CD1-CD2 4.27Å; Y60-L551 HydrophobicContact CD2-CD1 4.21Å; Y60-L551 HydrophobicContact CD2-CD2 4.38Å; Y60-L551 HydrophobicContact CE1-CD2 3.83Å; Y60-L551 HydrophobicContact CE2-CD1 4.44Å; Y60-L551 HydrophobicContact CE2-CD2 3.97Å; Y60-L551 HydrophobicContact CG-CD1 4.47Å; Y60-Q724 WeakPolarHBondContact O-CG 3.26Å; Y60-Q724 PolarHBondContact O-NE2 3.49Å; Y60-Q724 VanDerWaalsContact O-NE2 3.12Å; Y60-T784 HydrophobicContact CD1-CG2 4.1Å; Y60-T784 HydrophobicContact CE1-CG2 4.47Å |
| 61 | T | 89 | Confident | 88.2 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -105.3 | 148 | 178.9 | 73 | 0 | 0 | 0 | 0 | 111.6 | T57 K68 P400 L720 | T57-T61 HydrophobicContact CG2-CG2 4.38Å; T57-T61 VanDerWaalsContact O-CB 3.31Å; T57-T61 WeakPolarHBondContact O-CB 3.27Å; T57-T61 WeakPolarHBondContact O-CG2 3.48Å; T57-T61 PolarHBondContact O-OG1 3.36Å; T61-K68 WeakPolarHBondContact OG1-CE 3.46Å; T61-K68 PolarHBondContact OG1-NZ 2.92Å; T61-P400 WeakPolarHBondContact O-CD 3.07Å; T61-L720 HydrophobicContact CG2-CB 4.03Å; T61-L720 WeakPolarHBondContact CG2-O 3.44Å |
| 62 | P | 90.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -58.8 | 144.3 | -179.3 | -22.5 | 31.6 | 0 | 0 | 0 | 113.2 | Q64 A65 K68 N398 E727 | P62-Q64 VanDerWaalsContact C-N 3.34Å; P62-Q64 PolarHBondContact O-N 3.42Å; P62-A65 HydrophobicContact CB-CB 4.06Å; P62-A65 HydrophobicContact CG-CB 4.35Å; P62-A65 WeakPolarHBondContact O-CB 3.02Å; P62-A65 PolarHBondContact O-N 3.01Å; P62-K68 WeakPolarHBondContact O-CE 3.43Å; P62-K68 PolarHBondContact O-NZ 2.77Å; P62-N398 WeakPolarHBondContact CA-O 3.4Å; P62-N398 HydrophobicContact CB-CB 4.49Å; P62-E727 WeakPolarHBondContact CB-OE1 3.44Å; P62-E727 WeakPolarHBondContact CB-OE2 3.36Å; P62-E727 HydrophobicContact CG-CB 4.32Å; P62-E727 HydrophobicContact CG-CG 4.21Å | ||
| 63 | T | 87.4 | Confident | 88.5 | Confident | 64 Ų | 64 | 44.8 Ų | 44.8 | 39% | 0.393 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -42.6 | 178.8 | 51.6 | 0 | 0 | 0 | 0 | 112.1 | N398 P400 | T63-N398 PolarHBondContact N-O 3.22Å; T63-N398 PolarHBondContact OG1-O 3.2Å; T63-P400 HydrophobicContact CG2-CG 3.67Å |
| 64 | Q | 86.2 | Confident | 88.7 | Confident | 164 Ų | 164 | 42.8 Ų | 42.8 | 77% | 0.766 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | 27.7 | 179.8 | -61.9 | -173.4 | -5.6 | 0 | 0 | 113.4 | P62 L66 | P62-Q64 VanDerWaalsContact C-N 3.34Å; P62-Q64 PolarHBondContact O-N 3.42Å; Q64-L66 PolarHBondContact O-N 2.91Å |
| 65 | A | 88.3 | Confident | 88.8 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 3% | 0.033 | 21% | 0.207 | C | C | . | . | trans | -58.9 | 130.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | P62 S67 K68 D723 | P62-A65 HydrophobicContact CB-CB 4.06Å; P62-A65 HydrophobicContact CG-CB 4.35Å; P62-A65 WeakPolarHBondContact O-CB 3.02Å; P62-A65 PolarHBondContact O-N 3.01Å; A65-S67 PolarHBondContact O-N 3.16Å; A65-K68 HydrophobicContact CB-CD 4.33Å; A65-K68 HydrophobicContact CB-CG 4.21Å; A65-K68 WeakPolarHBondContact O-CB 3.31Å; A65-K68 PolarHBondContact O-N 2.94Å; A65-D723 HydrophobicContact CB-CB 4.21Å | ||
| 66 | L | 90.7 | Very high | 89 | Confident | 88 Ų | 88 | 46.3 Ų | 46.3 | 46% | 0.461 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.7 | -36 | 178.8 | -179 | 59.1 | 0 | 0 | 0 | 111.6 | Q64 K68 F69 E70 | Q64-L66 PolarHBondContact O-N 2.91Å; L66-K68 VanDerWaalsContact C-N 3.26Å; L66-K68 PolarHBondContact O-N 3.11Å; L66-F69 WeakPolarHBondContact O-CB 3.43Å; L66-F69 PolarHBondContact O-N 3.22Å; L66-F69 VanDerWaalsContact O-N 3.11Å; L66-E70 HydrophobicContact CG-CG 4.28Å; L66-E70 WeakPolarHBondContact O-CG 3.18Å; L66-E70 PolarHBondContact O-N 3.31Å |
| 67 | S | 90.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.9 | -28.8 | 174.3 | 52.8 | 0 | 0 | 0 | 0 | 114.6 | A65 E70 R71 L720 D723 | A65-S67 PolarHBondContact O-N 3.16Å; S67-E70 VanDerWaalsContact CA-OE2 3.32Å; S67-E70 WeakPolarHBondContact CA-OE2 3.45Å; S67-R71 WeakPolarHBondContact O-CB 3.49Å; S67-R71 PolarHBondContact O-N 3.3Å; S67-L720 WeakPolarHBondContact OG-CA 3.07Å; S67-D723 WeakPolarHBondContact CB-OD2 3.46Å; S67-D723 PolarHBondContact N-OD2 3.14Å; S67-D723 PolarHBondContact OG-OD2 2.95Å |
| 68 | K | 90.9 | Very high | 89.4 | Confident | 43 Ų | 43 | 47.8 Ų | 47.8 | 19% | 0.187 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.7 | -40.3 | 173.8 | -72.4 | 178.1 | 176 | 167.8 | 0 | 111.2 | T61 P62 A65 L66 R71 E72 L720 | T61-K68 WeakPolarHBondContact OG1-CE 3.46Å; T61-K68 PolarHBondContact OG1-NZ 2.92Å; P62-K68 WeakPolarHBondContact O-CE 3.43Å; P62-K68 PolarHBondContact O-NZ 2.77Å; A65-K68 HydrophobicContact CB-CD 4.33Å; A65-K68 HydrophobicContact CB-CG 4.21Å; A65-K68 WeakPolarHBondContact O-CB 3.31Å; A65-K68 PolarHBondContact O-N 2.94Å; L66-K68 VanDerWaalsContact C-N 3.26Å; L66-K68 PolarHBondContact O-N 3.11Å; K68-R71 WeakPolarHBondContact O-CB 3.36Å; K68-R71 PolarHBondContact O-N 3.37Å; K68-E72 WeakPolarHBondContact O-CB 3.05Å; K68-E72 PolarHBondContact O-N 3.25Å; K68-L720 HydrophobicContact CG-CD2 3.7Å |
| 69 | F | 90.4 | Very high | 89.3 | Confident | 120 Ų | 120 | 46.2 Ų | 46.2 | 53% | 0.526 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -67.4 | -45.6 | 173.2 | 176.8 | -96.8 | 0 | 0 | 0 | 111.4 | L66 R71 E72 V73 | L66-F69 WeakPolarHBondContact O-CB 3.43Å; L66-F69 PolarHBondContact O-N 3.22Å; L66-F69 VanDerWaalsContact O-N 3.11Å; F69-R71 VanDerWaalsContact C-N 3.25Å; F69-R71 PolarHBondContact O-N 2.88Å; F69-E72 PolarHBondContact O-N 3.43Å; F69-V73 HydrophobicContact CD1-CG2 4.15Å; F69-V73 HydrophobicContact CE1-CG2 3.7Å; F69-V73 HydrophobicContact CE2-CG2 4.09Å; F69-V73 HydrophobicContact CZ-CG2 3.66Å; F69-V73 WeakPolarHBondContact O-CG2 3.38Å; F69-V73 PolarHBondContact O-N 3.07Å |
| 70 | E | 91.3 | Very high | 89.1 | Confident | 7 Ų | 7 | 47.4 Ų | 47.4 | 3% | 0.033 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.8 | -41.4 | 175.5 | -67.6 | 168.9 | 149 | 0 | 0 | 110.8 | L66 S67 I74 R701 T713 T714 F715 | L66-E70 HydrophobicContact CG-CG 4.28Å; L66-E70 WeakPolarHBondContact O-CG 3.18Å; L66-E70 PolarHBondContact O-N 3.31Å; S67-E70 VanDerWaalsContact CA-OE2 3.32Å; S67-E70 WeakPolarHBondContact CA-OE2 3.45Å; E70-I74 WeakPolarHBondContact O-CD1 3.35Å; E70-I74 VanDerWaalsContact O-CG1 3.26Å; E70-I74 WeakPolarHBondContact O-CG1 3.47Å; E70-R701 IonicContact OE1-CZ 2.76Å; E70-R701 IonicContact OE1-NE 3.42Å; E70-R701 PolarHBondContact OE1-NE 3.05Å; E70-R701 VanDerWaalsContact OE1-NE 3.16Å; E70-R701 IonicContact OE1-NH2 3.82Å; E70-R701 IonicContact OE2-CZ 3.8Å; E70-R701 IonicContact OE2-NE 2.98Å; E70-R701 IonicContact OE2-NH2 3.44Å; E70-R701 PolarHBondContact OE2-NH2 2.84Å; E70-T713 HydrophobicContact CG-CG2 4.27Å; E70-T714 VanDerWaalsContact CD-O 3.24Å; E70-F715 HydrophobicContact CB-CD2 4.19Å |
| 71 | R | 91.4 | Very high | 88.9 | Confident | 66 Ų | 66 | 51 Ų | 51 | 25% | 0.249 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.8 | -48.8 | 174.8 | -167.5 | 179.5 | 69.4 | 179.9 | 3.9 | 112.5 | S67 K68 F69 V73 I74 H75 I91 F715 | S67-R71 WeakPolarHBondContact O-CB 3.49Å; S67-R71 PolarHBondContact O-N 3.3Å; K68-R71 WeakPolarHBondContact O-CB 3.36Å; K68-R71 PolarHBondContact O-N 3.37Å; F69-R71 VanDerWaalsContact C-N 3.25Å; F69-R71 PolarHBondContact O-N 2.88Å; R71-V73 PolarHBondContact O-N 2.99Å; R71-I74 PolarHBondContact O-N 3.4Å; R71-I74 VanDerWaalsContact O-N 3.15Å; R71-H75 PolarHBondContact O-CD2 2.68Å; R71-H75 PolarHBondContact O-N 2.94Å; R71-I91 HydrophobicContact CB-CG2 4.49Å; R71-I91 HydrophobicContact CG-CG2 3.58Å; R71-F715 HydrophobicContact CB-CD2 4.14Å; R71-F715 HydrophobicContact CB-CE2 3.59Å; R71-F715 HydrophobicContact CB-CZ 3.95Å; R71-F715 HydrophobicContact CG-CE1 4.44Å; R71-F715 HydrophobicContact CG-CE2 3.99Å; R71-F715 HydrophobicContact CG-CZ 3.8Å |
| 72 | E | 89.7 | Confident | 88.5 | Confident | 86 Ų | 86 | 55 Ų | 55 | 40% | 0.402 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.8 | -41.2 | -176.5 | -177.7 | 56.7 | -154 | 0 | 0 | 112.2 | K68 F69 I74 H75 Q76 | K68-E72 WeakPolarHBondContact O-CB 3.05Å; K68-E72 PolarHBondContact O-N 3.25Å; F69-E72 PolarHBondContact O-N 3.43Å; E72-I74 PolarHBondContact O-N 3.05Å; E72-H75 PolarHBondContact O-N 3.48Å; E72-H75 VanDerWaalsContact O-N 3.12Å; E72-Q76 HydrophobicContact CG-CG 4.49Å; E72-Q76 WeakPolarHBondContact O-CG 3.42Å; E72-Q76 PolarHBondContact O-N 3.2Å; E72-Q76 WeakPolarHBondContact OE1-CG 3.44Å; E72-Q76 PolarHBondContact OE1-NE2 3.07Å |
| 73 | V | 88.5 | Confident | 88.2 | Confident | 17 Ų | 17 | 56 Ų | 56 | 10% | 0.103 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55.7 | -37.3 | 174.6 | 169.3 | 0 | 0 | 0 | 0 | 111.5 | F69 R71 K77 N581 | F69-V73 HydrophobicContact CD1-CG2 4.15Å; F69-V73 HydrophobicContact CE1-CG2 3.7Å; F69-V73 HydrophobicContact CE2-CG2 4.09Å; F69-V73 HydrophobicContact CZ-CG2 3.66Å; F69-V73 WeakPolarHBondContact O-CG2 3.38Å; F69-V73 PolarHBondContact O-N 3.07Å; R71-V73 PolarHBondContact O-N 2.99Å; V73-K77 WeakPolarHBondContact O-CG 3.05Å; V73-K77 PolarHBondContact O-N 3.4Å; V73-N581 WeakPolarHBondContact CG1-OD1 3.24Å |
| 74 | I | 89.7 | Confident | 88.2 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -77.5 | -39.9 | 179.7 | -50.9 | 168.4 | 0 | 0 | 0 | 110.4 | E70 R71 E72 Q76 K77 W78 I91 V579 F715 | E70-I74 WeakPolarHBondContact O-CD1 3.35Å; E70-I74 VanDerWaalsContact O-CG1 3.26Å; E70-I74 WeakPolarHBondContact O-CG1 3.47Å; R71-I74 PolarHBondContact O-N 3.4Å; R71-I74 VanDerWaalsContact O-N 3.15Å; E72-I74 PolarHBondContact O-N 3.05Å; I74-Q76 VanDerWaalsContact C-N 3.29Å; I74-Q76 PolarHBondContact O-N 2.92Å; I74-K77 PolarHBondContact O-N 2.86Å; I74-W78 HydrophobicContact CG2-CE3 3.81Å; I74-W78 HydrophobicContact CG2-CZ3 4.44Å; I74-W78 CarbonylContact O-C 3.38Å; I74-W78 PolarHBondContact O-N 2.87Å; I74-I91 HydrophobicContact CB-CD1 3.72Å; I74-I91 HydrophobicContact CB-CG1 4.22Å; I74-I91 HydrophobicContact CG2-CD1 3.11Å; I74-I91 HydrophobicContact CG2-CG1 3.69Å; I74-V579 HydrophobicContact CD1-CG2 3.99Å; I74-V579 HydrophobicContact CG1-CG2 3.84Å; I74-F715 HydrophobicContact CD1-CB 3.51Å; I74-F715 HydrophobicContact CD1-CD1 4.36Å; I74-F715 HydrophobicContact CD1-CG 4.02Å |
| 75 | H | 88 | Confident | 88.1 | Confident | 43 Ų | 43 | 47 Ų | 47 | 20% | 0.199 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.4 | -37.8 | 174.2 | -79.2 | -56.6 | 0 | 0 | 0 | 113.4 | R71 E72 P79 T92 | R71-H75 PolarHBondContact O-CD2 2.68Å; R71-H75 PolarHBondContact O-N 2.94Å; E72-H75 PolarHBondContact O-N 3.48Å; E72-H75 VanDerWaalsContact O-N 3.12Å; H75-P79 WeakPolarHBondContact O-CA 3.23Å; H75-T92 WeakPolarHBondContact CE1-CG2 3.06Å; H75-T92 WeakPolarHBondContact NE2-CG2 3.25Å |
| 76 | Q | 88.9 | Confident | 87.9 | Confident | 133 Ų | 133 | 47.8 Ų | 47.8 | 62% | 0.621 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -70.2 | -37.2 | 179.3 | -70.7 | 177 | 4.8 | 0 | 0 | 112.5 | E72 I74 | E72-Q76 HydrophobicContact CG-CG 4.49Å; E72-Q76 WeakPolarHBondContact O-CG 3.42Å; E72-Q76 PolarHBondContact O-N 3.2Å; E72-Q76 WeakPolarHBondContact OE1-CG 3.44Å; E72-Q76 PolarHBondContact OE1-NE2 3.07Å; I74-Q76 VanDerWaalsContact C-N 3.29Å; I74-Q76 PolarHBondContact O-N 2.92Å |
| 77 | K | 89.1 | Confident | 87.3 | Confident | 45 Ų | 45 | 45.3 Ų | 45.3 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -85.8 | -39.1 | -177.9 | -71.2 | -176.9 | 174.7 | -171.3 | 0 | 113.4 | V73 I74 N581 F662 A677 | V73-K77 WeakPolarHBondContact O-CG 3.05Å; V73-K77 PolarHBondContact O-N 3.4Å; I74-K77 PolarHBondContact O-N 2.86Å; K77-N581 WeakPolarHBondContact CE-OD1 3.29Å; K77-N581 PolarHBondContact NZ-O 2.96Å; K77-N581 PolarHBondContact NZ-OD1 3.43Å; K77-F662 HydrophobicContact CB-CD2 4.15Å; K77-F662 HydrophobicContact CG-CD2 4.47Å; K77-F662 WeakPolarHBondContact O-CD2 3.46Å; K77-A677 HydrophobicContact CD-CB 3.96Å; K77-A677 VanDerWaalsContact NZ-CB 3.32Å |
| 78 | W | 90 | Very high | 86.7 | Confident | 25 Ų | 25 | 46.6 Ų | 46.6 | 10% | 0.095 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -128.7 | 72.9 | -179.8 | -61.4 | -80.6 | 0 | 0 | 0 | 109.4 | I74 L80 V579 F659 F662 A677 R679 | I74-W78 HydrophobicContact CG2-CE3 3.81Å; I74-W78 HydrophobicContact CG2-CZ3 4.44Å; I74-W78 CarbonylContact O-C 3.38Å; I74-W78 PolarHBondContact O-N 2.87Å; W78-L80 PolarHBondContact O-N 2.88Å; W78-V579 HydrophobicContact CH2-CG1 3.85Å; W78-V579 HydrophobicContact CZ3-CG1 3.61Å; W78-V579 HydrophobicContact CZ3-CG2 4.14Å; W78-F659 PolarHBondContact NE1-O 2.93Å; W78-F659 VanDerWaalsContact NE1-O 3.14Å; W78-F662 HydrophobicContact CH2-CB 4.49Å; W78-F662 HydrophobicContact CZ2-CB 3.82Å; W78-A677 HydrophobicContact CH2-CB 4.16Å; W78-R679 HydrophobicContact CH2-CB 4.25Å; W78-R679 HydrophobicContact CH2-CG 4.46Å; W78-R679 HydrophobicContact CZ2-CG 4.29Å |
| 79 | P | 86.5 | Confident | 86.3 | Confident | 63 Ų | 63 | 45 Ų | 45 | 41% | 0.409 | 24% | 0.24 | S | C | . | . | trans | -63.4 | 129.2 | 175.1 | 27.2 | -34 | 0 | 0 | 0 | 109.1 | H75 V81 N84 | H75-P79 WeakPolarHBondContact O-CA 3.23Å; P79-V81 PolarHBondContact O-N 2.81Å; P79-N84 PolarHBondContact O-ND2 2.88Å | ||
| 80 | L | 85.1 | Confident | 85.4 | Confident | 26 Ų | 26 | 40.3 Ų | 40.3 | 14% | 0.136 | 22% | 0.224 | C | C | . | . | trans | -76.4 | 115 | 174.1 | -179.4 | 61.5 | 0 | 0 | 0 | 108.2 | W78 Y85 A90 L145 F217 | W78-L80 PolarHBondContact O-N 2.88Å; L80-Y85 HydrophobicContact CD1-CD2 3.93Å; L80-A90 HydrophobicContact CD2-CB 4.33Å; L80-L145 HydrophobicContact CD1-CD1 4.14Å; L80-L145 HydrophobicContact CD2-CD1 3.96Å; L80-L145 HydrophobicContact CG-CD1 4.02Å; L80-F217 HydrophobicContact CB-CE1 4.41Å; L80-F217 HydrophobicContact CB-CZ 4Å; L80-F217 HydrophobicContact CD2-CE1 3.6Å; L80-F217 HydrophobicContact CD2-CZ 4.02Å; L80-F217 HydrophobicContact CG-CE1 3.81Å; L80-F217 HydrophobicContact CG-CZ 3.89Å; L80-F217 VanDerWaalsContact O-CZ 3.26Å; L80-F217 WeakPolarHBondContact O-CZ 3.45Å | ||
| 81 | V | 83.6 | Confident | 84.3 | Confident | 77 Ų | 77 | 40.4 Ų | 40.4 | 47% | 0.467 | 22% | 0.224 | S | C | . | . | trans | -131.1 | 166.4 | 178.3 | -64.8 | 0 | 0 | 0 | 0 | 109.8 | P79 G83 N84 | P79-V81 PolarHBondContact O-N 2.81Å; V81-G83 PolarHBondContact O-N 3.42Å; V81-N84 HydrophobicContact CG2-CB 4.34Å; V81-N84 WeakPolarHBondContact CG2-ND2 3.33Å; V81-N84 PolarHBondContact N-OD1 2.84Å; V81-N84 PolarHBondContact O-N 3.11Å; V81-N84 PolarHBondContact O-OD1 3.19Å | ||
| 82 | D | 82.4 | Confident | 83.2 | Confident | 83 Ų | 83 | 38.1 Ų | 38.1 | 44% | 0.444 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | 130.4 | 173.7 | -164.9 | 42.7 | 0 | 0 | 0 | 110.2 | L145 H146 Q216 | D82-L145 HydrophobicContact CB-CD2 4.18Å; D82-H146 IonicContact OD1-CE1 2.82Å; D82-H146 IonicContact OD1-CG 3.99Å; D82-H146 PolarHBondContact OD1-N 3.07Å; D82-H146 IonicContact OD1-ND1 3.78Å; D82-H146 PolarHBondContact OD1-ND1 3.29Å; D82-H146 IonicContact OD2-ND1 2.77Å; D82-H146 PolarHBondContact OD2-ND1 3.23Å; D82-Q216 PolarHBondContact OD1-NE2 3.5Å; D82-Q216 VanDerWaalsContact OD1-NE2 3.15Å; D82-Q216 PolarHBondContact OD2-NE2 2.86Å |
| 83 | G | 84.1 | Confident | 82.2 | Confident | 21 Ų | 21 | 36.3 Ų | 36.3 | 22% | 0.216 | 22% | 0.217 | C | C | . | . | B | Isolated β-bridge | trans | 101.6 | -16.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | V81 H146 E148 | V81-G83 PolarHBondContact O-N 3.42Å; G83-H146 CarbonylContact C-O 3.52Å; G83-H146 WeakPolarHBondContact CA-O 3.49Å; G83-H146 PolarHBondContact N-O 3.29Å; G83-E148 PolarHBondContact O-N 2.95Å |
| 84 | N | 85.6 | Confident | 81.9 | Confident | 36 Ų | 36 | 40 Ų | 40 | 19% | 0.193 | 24% | 0.236 | C | C | . | . | B | Isolated β-bridge | trans | -116.8 | 16.9 | -178.5 | 79.9 | -4.7 | 0 | 0 | 0 | 114.7 | P79 V81 V86 H146 F659 | P79-N84 PolarHBondContact O-ND2 2.88Å; V81-N84 HydrophobicContact CG2-CB 4.34Å; V81-N84 WeakPolarHBondContact CG2-ND2 3.33Å; V81-N84 PolarHBondContact N-OD1 2.84Å; V81-N84 PolarHBondContact O-N 3.11Å; V81-N84 PolarHBondContact O-OD1 3.19Å; N84-V86 PolarHBondContact O-N 2.82Å; N84-H146 PolarHBondContact N-O 2.89Å; N84-F659 HydrophobicContact CB-CD1 3.97Å; N84-F659 HydrophobicContact CB-CE1 3.57Å; N84-F659 HydrophobicContact CB-CZ 4.25Å |
| 85 | Y | 85.5 | Confident | 81.9 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | trans | -73.3 | 126.4 | -178 | 174.7 | -108.2 | 0 | 0 | 0 | 112.1 | L80 A90 L145 H146 F152 Q214 | L80-Y85 HydrophobicContact CD1-CD2 3.93Å; Y85-A90 HydrophobicContact CE2-CB 4.27Å; Y85-L145 HydrophobicContact CD1-CB 4.41Å; Y85-L145 HydrophobicContact CD2-CD1 4.24Å; Y85-L145 HydrophobicContact CG-CB 3.98Å; Y85-H146 PolarHBondContact N-O 2.64Å; Y85-F152 HydrophobicContact CD1-CB 3.9Å; Y85-F152 HydrophobicContact CD1-CG 4.44Å; Y85-F152 HydrophobicContact CE1-CB 3.57Å; Y85-F152 HydrophobicContact CE1-CD1 4.06Å; Y85-F152 HydrophobicContact CE1-CD2 4.31Å; Y85-F152 AromaticContact CE1-CG 3.73Å; Y85-F152 HydrophobicContact CE1-CG 3.73Å; Y85-Q214 HydrophobicContact CD2-CB 4.3Å; Y85-Q214 HydrophobicContact CD2-CG 3.89Å; Y85-Q214 HydrophobicContact CE1-CB 3.9Å; Y85-Q214 HydrophobicContact CE2-CB 3.62Å; Y85-Q214 HydrophobicContact CE2-CG 3.51Å; Y85-Q214 WeakPolarHBondContact OH-CB 3.47Å | ||
| 86 | V | 83.3 | Confident | 82.1 | Confident | 20 Ų | 20 | 41.2 Ų | 41.2 | 12% | 0.121 | 24% | 0.24 | C | C | . | . | trans | -125.3 | 126.7 | 170.3 | -177.3 | 0 | 0 | 0 | 0 | 108.3 | N84 H89 F659 | N84-V86 PolarHBondContact O-N 2.82Å; V86-H89 HydrophobicContact CB-CB 4.03Å; V86-H89 HydrophobicContact CG1-CB 4.46Å; V86-H89 WeakPolarHBondContact O-CB 3.21Å; V86-H89 PolarHBondContact O-N 2.81Å; V86-F659 HydrophobicContact CG2-CB 4.38Å; V86-F659 HydrophobicContact CG2-CD2 3.7Å; V86-F659 HydrophobicContact CG2-CE2 4.35Å; V86-F659 HydrophobicContact CG2-CG 4.25Å | ||
| 87 | A | 79.1 | Confident | 82.4 | Confident | 37 Ų | 37 | 34.9 Ų | 34.9 | 31% | 0.306 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 138.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | H89 F152 | A87-H89 PolarHBondContact O-N 2.95Å; A87-F152 HydrophobicContact CB-CD2 4.13Å; A87-F152 HydrophobicContact CB-CE1 4.13Å; A87-F152 HydrophobicContact CB-CE2 3.49Å; A87-F152 VanDerWaalsContact CB-CE2 3.49Å; A87-F152 HydrophobicContact CB-CZ 3.49Å; A87-F152 VanDerWaalsContact CB-CZ 3.49Å |
| 88 | G | 77.6 | Confident | 82.6 | Confident | 26 Ų | 26 | 34.3 Ų | 34.3 | 27% | 0.268 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | -12.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | E575 Y681 | G88-E575 WeakPolarHBondContact CA-OE1 3.41Å; G88-Y681 WeakPolarHBondContact O-CE1 3.34Å |
| 89 | H | 81.9 | Confident | 82.9 | Confident | 11 Ų | 11 | 33.1 Ų | 33.1 | 5% | 0.051 | 20% | 0.204 | C | C | . | . | trans | -93.3 | -7.6 | 178.6 | -64.6 | -153.5 | 0 | 0 | 0 | 113.2 | V86 A87 R656 D660 R679 Y681 | V86-H89 HydrophobicContact CB-CB 4.03Å; V86-H89 HydrophobicContact CG1-CB 4.46Å; V86-H89 WeakPolarHBondContact O-CB 3.21Å; V86-H89 PolarHBondContact O-N 2.81Å; A87-H89 PolarHBondContact O-N 2.95Å; H89-R656 PolarHBondContact NE2-NH2 3.35Å; H89-D660 IonicContact CE1-OD1 3.88Å; H89-D660 PolarHBondContact CE1-OD1 3.42Å; H89-D660 IonicContact CE1-OD2 3.88Å; H89-D660 PolarHBondContact CE1-OD2 2.89Å; H89-D660 IonicContact ND1-OD1 3.52Å; H89-D660 PolarHBondContact ND1-OD1 3.14Å; H89-D660 VanDerWaalsContact ND1-OD1 3.12Å; H89-R679 PolarHBondContact ND1-NH2 3.18Å; H89-Y681 VanDerWaalsContact CA-OH 3.31Å; H89-Y681 WeakPolarHBondContact CA-OH 3.17Å; H89-Y681 WeakPolarHBondContact CB-OH 3.31Å; H89-Y681 AromaticContact CD2-CE2 3.7Å; H89-Y681 AromaticContact CD2-CZ 3.61Å; H89-Y681 AromaticContact CE1-CE2 3.73Å; H89-Y681 AromaticContact CG-CE2 3.95Å; H89-Y681 AromaticContact CG-CZ 3.67Å; H89-Y681 VanDerWaalsContact CG-OH 3.24Å; H89-Y681 AromaticContact ND1-CE2 3.96Å; H89-Y681 AromaticContact NE2-CE2 3.58Å | ||
| 90 | A | 73.2 | Confident | 83.3 | Confident | 21 Ų | 21 | 30.2 Ų | 30.2 | 17% | 0.174 | 19% | 0.185 | C | C | . | . | trans | -71.5 | 127.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | L80 Y85 | L80-A90 HydrophobicContact CD2-CB 4.33Å; Y85-A90 HydrophobicContact CE2-CB 4.27Å | ||
| 91 | I | 67.5 | Low | 83.7 | Confident | 9 Ų | 9 | 29 Ų | 29 | 5% | 0.046 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -93.9 | -37.1 | -176.3 | -55.5 | 134.6 | 0 | 0 | 0 | 109.9 | R71 I74 F715 | R71-I91 HydrophobicContact CB-CG2 4.49Å; R71-I91 HydrophobicContact CG-CG2 3.58Å; I74-I91 HydrophobicContact CB-CD1 3.72Å; I74-I91 HydrophobicContact CB-CG1 4.22Å; I74-I91 HydrophobicContact CG2-CD1 3.11Å; I74-I91 HydrophobicContact CG2-CG1 3.69Å; I91-F715 HydrophobicContact CB-CD1 4.5Å; I91-F715 HydrophobicContact CB-CE1 4.24Å; I91-F715 HydrophobicContact CG2-CD1 3.51Å; I91-F715 HydrophobicContact CG2-CE1 3.2Å; I91-F715 HydrophobicContact CG2-CG 4.37Å; I91-F715 HydrophobicContact CG2-CZ 3.85Å |
| 92 | T | 68.5 | Low | 84.2 | Confident | 17 Ų | 17 | 25.9 Ų | 25.9 | 10% | 0.104 | 16% | 0.161 | C | C | . | . | trans | -101.2 | 124.8 | 175.2 | 42.8 | 0 | 0 | 0 | 0 | 109.9 | H75 L94 | H75-T92 WeakPolarHBondContact CE1-CG2 3.06Å; H75-T92 WeakPolarHBondContact NE2-CG2 3.25Å; T92-L94 HydrophobicContact CG2-CD1 4.3Å; T92-L94 HydrophobicContact CG2-CG 4.46Å; T92-L94 PolarHBondContact O-N 2.89Å | ||
| 93 | A | 67.9 | Low | 84.7 | Confident | 48 Ų | 48 | 22.2 Ų | 22.2 | 40% | 0.397 | 14% | 0.141 | S | C | . | . | trans | -75 | 26.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R95 E96 S252 | A93-R95 PolarHBondContact O-N 3.3Å; A93-E96 HydrophobicContact CB-CB 4.24Å; A93-E96 PolarHBondContact O-N 3.42Å; A93-S252 WeakPolarHBondContact O-CB 3.27Å | ||
| 94 | L | 81.7 | Confident | 84.9 | Confident | 96 Ų | 96 | 26.8 Ų | 26.8 | 50% | 0.503 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 124.4 | 179.6 | -73.3 | 172.2 | 0 | 0 | 0 | 109 | T92 E96 Q214 F217 | T92-L94 HydrophobicContact CG2-CD1 4.3Å; T92-L94 HydrophobicContact CG2-CG 4.46Å; T92-L94 PolarHBondContact O-N 2.89Å; L94-E96 PolarHBondContact O-N 3.34Å; L94-Q214 PolarHBondContact O-NE2 2.79Å; L94-F217 HydrophobicContact CB-CG 4.48Å |
| 95 | R | 91.2 | Very high | 85 | Confident | 38 Ų | 38 | 29 Ų | 29 | 14% | 0.143 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 25.8 | -177.1 | -50.8 | -60.6 | -176.4 | -161.3 | -4.7 | 114.7 | A93 L215 F217 S223 E230 S252 | A93-R95 PolarHBondContact O-N 3.3Å; R95-L215 HydrophobicContact CB-CB 4Å; R95-L215 WeakPolarHBondContact O-CB 3.5Å; R95-L215 PolarHBondContact O-N 3.12Å; R95-L215 VanDerWaalsContact O-N 3.13Å; R95-F217 HydrophobicContact CB-CB 4.32Å; R95-F217 HydrophobicContact CG-CB 3.62Å; R95-S223 VanDerWaalsContact CZ-O 3.25Å; R95-S223 PolarHBondContact NE-O 3.06Å; R95-S223 VanDerWaalsContact NE-O 3.11Å; R95-S223 PolarHBondContact NE-OG 3.03Å; R95-S223 PolarHBondContact NH2-O 3.44Å; R95-S223 PolarHBondContact NH2-OG 3.45Å; R95-E230 WeakPolarHBondContact CA-OE1 3.4Å; R95-E230 VanDerWaalsContact CD-OE2 3.24Å; R95-E230 WeakPolarHBondContact CD-OE2 3.18Å; R95-E230 IonicContact CZ-OE2 3.29Å; R95-E230 IonicContact NE-OE2 2.98Å; R95-E230 IonicContact NH1-OE2 3.24Å; R95-E230 PolarHBondContact NH1-OE2 2.92Å; R95-S252 WeakPolarHBondContact CA-OG 3.14Å; R95-S252 VanDerWaalsContact N-CB 3.31Å; R95-S252 PolarHBondContact N-OG 2.83Å; R95-S252 VanDerWaalsContact N-OG 3.1Å |
| 96 | E | 92 | Very high | 85 | Confident | 29 Ų | 29 | 31.3 Ų | 31.3 | 14% | 0.136 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 133.2 | 172.7 | -167.6 | 177.1 | 70.1 | 0 | 0 | 110.3 | A93 L94 Q98 V212 Q214 H251 S252 | A93-E96 HydrophobicContact CB-CB 4.24Å; A93-E96 PolarHBondContact O-N 3.42Å; L94-E96 PolarHBondContact O-N 3.34Å; E96-Q98 HydrophobicContact CG-CG 4.24Å; E96-Q98 PolarHBondContact OE1-NE2 3.26Å; E96-V212 HydrophobicContact CG-CG1 3.84Å; E96-Q214 VanDerWaalsContact CB-OE1 3.3Å; E96-H251 CarbonylContact O-C 3.57Å; E96-H251 WeakPolarHBondContact O-CA 3.39Å; E96-S252 PolarHBondContact O-N 3.49Å |
| 97 | C | 94.5 | Very high | 85.2 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 128.1 | 172.2 | -76.9 | 0 | 0 | 0 | 0 | 109.6 | Y213 W229 F233 | C97-Y213 PolarHBondContact N-O 2.86Å; C97-Y213 PolarHBondContact O-N 3.46Å; C97-W229 HydrophobicContact CB-CZ3 4.23Å; C97-F233 HydrophobicContact CB-CD1 3.9Å; C97-F233 HydrophobicContact CB-CE1 3.61Å; C97-F233 HydrophobicContact CB-CE2 4.38Å; C97-F233 HydrophobicContact CB-CG 4.39Å; C97-F233 HydrophobicContact CB-CZ 3.88Å |
| 98 | Q | 93.9 | Very high | 85.7 | Confident | 34 Ų | 34 | 31 Ų | 31 | 16% | 0.159 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 138 | 179.6 | -58.4 | -175.7 | 8.5 | 0 | 0 | 110.4 | E96 L211 V212 L250 | E96-Q98 HydrophobicContact CG-CG 4.24Å; E96-Q98 PolarHBondContact OE1-NE2 3.26Å; Q98-L211 WeakPolarHBondContact CA-O 3.37Å; Q98-V212 HydrophobicContact CG-CG2 4.5Å; Q98-L250 HydrophobicContact CB-CB 4.44Å; Q98-L250 PolarHBondContact N-O 3.33Å; Q98-L250 PolarHBondContact O-N 3Å; Q98-L250 VanDerWaalsContact O-O 3.07Å |
| 99 | S | 95 | Very high | 86.2 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 117.8 | 171.8 | 170.1 | 0 | 0 | 0 | 0 | 109.6 | L211 T248 | S99-L211 PolarHBondContact N-O 3.07Å; S99-L211 PolarHBondContact O-N 2.92Å; S99-T248 CarbonylContact C-O 3.52Å; S99-T248 VanDerWaalsContact CA-O 3.23Å; S99-T248 WeakPolarHBondContact CA-O 3.32Å |
| 100 | I | 95 | Very high | 86.5 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 124.7 | 172.3 | -61.7 | 163.1 | 0 | 0 | 0 | 108.1 | A208 M210 T248 A564 L565 F569 | I100-A208 HydrophobicContact CG2-CB 4.03Å; I100-M210 HydrophobicContact CD1-CE 4.03Å; I100-M210 HydrophobicContact CG1-CB 4.34Å; I100-M210 HydrophobicContact CG1-CE 4.05Å; I100-M210 HydrophobicContact CG1-CG 4.21Å; I100-T248 WeakPolarHBondContact CB-OG1 3.18Å; I100-T248 PolarHBondContact N-O 3.4Å; I100-T248 VanDerWaalsContact N-O 3.07Å; I100-T248 PolarHBondContact O-N 3.14Å; I100-T248 PolarHBondContact O-OG1 3.49Å; I100-T248 VanDerWaalsContact O-OG1 3.11Å; I100-A564 HydrophobicContact CB-CB 4.46Å; I100-A564 HydrophobicContact CD1-CB 3.95Å; I100-A564 HydrophobicContact CG2-CB 4.11Å; I100-L565 HydrophobicContact CD1-CD2 3.72Å; I100-L565 HydrophobicContact CD1-CG 3.75Å; I100-F569 HydrophobicContact CD1-CD2 4.18Å; I100-F569 HydrophobicContact CD1-CE2 3.91Å; I100-F569 HydrophobicContact CG1-CE2 3.98Å; I100-F569 HydrophobicContact CG2-CE2 3.9Å |
| 101 | V | 95.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 127.9 | 177.9 | -170.9 | 0 | 0 | 0 | 0 | 108.9 | I109 V118 L121 A208 W209 L211 L245 D246 | V101-I109 HydrophobicContact CG1-CD1 4.3Å; V101-V118 HydrophobicContact CG1-CG2 4.05Å; V101-L121 HydrophobicContact CG2-CD2 3.67Å; V101-A208 CarbonylContact O-C 3.58Å; V101-A208 VanDerWaalsContact O-CA 3.31Å; V101-A208 WeakPolarHBondContact O-CA 3.23Å; V101-W209 PolarHBondContact N-O 2.7Å; V101-W209 PolarHBondContact O-N 3.45Å; V101-L211 HydrophobicContact CG2-CD1 4.12Å; V101-L245 HydrophobicContact CG1-CB 3.85Å; V101-L245 HydrophobicContact CG1-CD1 3.94Å; V101-L245 HydrophobicContact CG1-CD2 3.74Å; V101-L245 HydrophobicContact CG1-CG 4.04Å; V101-D246 WeakPolarHBondContact CA-O 3.49Å |
| 102 | S | 93.7 | Very high | 88 | Confident | 13 Ų | 13 | 34.7 Ų | 34.7 | 9% | 0.091 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 157.8 | 173.6 | 66.3 | 0 | 0 | 0 | 0 | 110.9 | D246 | S102-D246 PolarHBondContact N-O 2.9Å; S102-D246 PolarHBondContact O-N 2.89Å |
| 103 | A | 91.9 | Very high | 88.9 | Confident | 5 Ų | 5 | 39.2 Ų | 39.2 | 4% | 0.041 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 127.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | D105 G106 I109 Y114 | A103-D105 WeakPolarHBondContact CB-OD1 3.34Å; A103-D105 PolarHBondContact O-N 3.42Å; A103-G106 WeakPolarHBondContact O-CA 3.48Å; A103-G106 PolarHBondContact O-N 3.02Å; A103-I109 HydrophobicContact CB-CD1 4Å; A103-Y114 HydrophobicContact CB-CD1 3.92Å; A103-Y114 HydrophobicContact CB-CE1 3.58Å |
| 104 | K | 89.1 | Confident | 89.9 | Confident | 118 Ų | 118 | 38.2 Ų | 38.2 | 51% | 0.513 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -25.9 | -178.9 | -76.9 | -171.3 | -168.6 | 176.6 | 0 | 114.4 | G106 D242 M244 L245 D246 | K104-G106 PolarHBondContact O-N 3.31Å; K104-D242 WeakPolarHBondContact CE-O 3.35Å; K104-D242 PolarHBondContact NZ-O 2.88Å; K104-M244 WeakPolarHBondContact CB-O 3.47Å; K104-M244 WeakPolarHBondContact CG-O 3.4Å; K104-M244 PolarHBondContact N-O 2.88Å; K104-L245 WeakPolarHBondContact CE-O 3.48Å; K104-D246 HydrophobicContact CG-CB 4.04Å |
| 105 | D | 88.3 | Confident | 90.2 | Very high | 83 Ų | 83 | 33.8 Ų | 33.8 | 44% | 0.444 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -2.3 | 174.2 | 66 | -36.6 | 0 | 0 | 0 | 112.7 | A103 G107 R111 Y114 | A103-D105 WeakPolarHBondContact CB-OD1 3.34Å; A103-D105 PolarHBondContact O-N 3.42Å; D105-G107 PolarHBondContact O-N 3.29Å; D105-G107 PolarHBondContact OD1-N 3.16Å; D105-R111 IonicContact OD2-CZ 3.96Å; D105-R111 IonicContact OD2-NH1 2.71Å; D105-R111 PolarHBondContact OD2-NH1 3.33Å; D105-R111 IonicContact OD2-NH2 3.53Å; D105-Y114 PolarHBondContact OD1-OH 3.29Å; D105-Y114 PolarHBondContact OD2-OH 2.96Å |
| 106 | G | 84.9 | Confident | 90.1 | Very high | 51 Ų | 51 | 35.5 Ų | 35.5 | 53% | 0.526 | 20% | 0.195 | S | C | . | . | S | Bend | trans | 66.3 | 15.5 | -173 | 0 | 0 | 0 | 0 | 0 | 113.1 | A103 K104 | A103-G106 WeakPolarHBondContact O-CA 3.48Å; A103-G106 PolarHBondContact O-N 3.02Å; K104-G106 PolarHBondContact O-N 3.31Å |
| 107 | G | 87.7 | Confident | 90.1 | Very high | 18 Ų | 18 | 34.1 Ų | 34.1 | 19% | 0.186 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -92.6 | -157.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D105 | D105-G107 PolarHBondContact O-N 3.29Å; D105-G107 PolarHBondContact OD1-N 3.16Å |
| 108 | N | 89.2 | Confident | 90 | Very high | 32 Ų | 32 | 34.1 Ų | 34.1 | 17% | 0.171 | 19% | 0.189 | C | C | . | . | trans | -79.3 | 118.3 | 179.5 | -175 | 9.8 | 0 | 0 | 0 | 111.3 | L110 R111 E204 S205 A206 | N108-L110 VanDerWaalsContact C-N 3.26Å; N108-L110 PolarHBondContact O-N 3.1Å; N108-L110 VanDerWaalsContact OD1-CB 3.31Å; N108-L110 WeakPolarHBondContact OD1-CB 3.48Å; N108-L110 WeakPolarHBondContact OD1-CG 3.41Å; N108-L110 PolarHBondContact OD1-N 3.28Å; N108-R111 HydrophobicContact CB-CG 4.33Å; N108-R111 WeakPolarHBondContact O-CD 3.3Å; N108-R111 WeakPolarHBondContact O-CG 3.43Å; N108-E204 PolarHBondContact ND2-O 3.4Å; N108-S205 VanDerWaalsContact CG-CB 3.42Å; N108-S205 WeakPolarHBondContact OD1-CA 3.26Å; N108-A206 CarbonylContact C-O 3.6Å; N108-A206 WeakPolarHBondContact CA-O 3.48Å; N108-A206 PolarHBondContact OD1-N 2.91Å; N108-A206 PolarHBondContact OD1-O 2.64Å | ||
| 109 | I | 88.9 | Confident | 89.9 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -19.9 | 176.1 | -161.2 | 77.1 | 0 | 0 | 0 | 112.6 | V101 A103 R111 Y114 V118 A206 L245 | V101-I109 HydrophobicContact CG1-CD1 4.3Å; A103-I109 HydrophobicContact CB-CD1 4Å; I109-R111 PolarHBondContact O-N 3.39Å; I109-Y114 HydrophobicContact CD1-CD1 4.14Å; I109-Y114 WeakPolarHBondContact O-CB 3.37Å; I109-V118 HydrophobicContact CD1-CG2 4.41Å; I109-V118 HydrophobicContact CG1-CG2 4.32Å; I109-A206 HydrophobicContact CG2-CB 4.07Å; I109-A206 WeakPolarHBondContact CG2-O 3.03Å; I109-A206 PolarHBondContact N-O 2.82Å; I109-L245 HydrophobicContact CD1-CD2 3.94Å |
| 110 | L | 87.3 | Confident | 89.7 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 2.4 | -176.3 | -55.6 | 175 | 0 | 0 | 0 | 113.6 | N108 I160 Y164 L192 I203 A206 W209 | N108-L110 VanDerWaalsContact C-N 3.26Å; N108-L110 PolarHBondContact O-N 3.1Å; N108-L110 VanDerWaalsContact OD1-CB 3.31Å; N108-L110 WeakPolarHBondContact OD1-CB 3.48Å; N108-L110 WeakPolarHBondContact OD1-CG 3.41Å; N108-L110 PolarHBondContact OD1-N 3.28Å; L110-I160 HydrophobicContact CD2-CG2 3.7Å; L110-Y164 HydrophobicContact CB-CD1 4.37Å; L110-Y164 HydrophobicContact CB-CD2 4.14Å; L110-Y164 HydrophobicContact CB-CE1 4.47Å; L110-Y164 HydrophobicContact CB-CE2 4.25Å; L110-Y164 HydrophobicContact CB-CG 4.21Å; L110-Y164 HydrophobicContact CD1-CE1 4.41Å; L110-Y164 HydrophobicContact CD1-CE2 3.84Å; L110-Y164 HydrophobicContact CD2-CE2 4.38Å; L110-Y164 HydrophobicContact CG-CE2 4.38Å; L110-Y164 WeakPolarHBondContact O-CB 3.27Å; L110-L192 HydrophobicContact CD2-CD1 4.42Å; L110-L192 HydrophobicContact CD2-CD2 4.03Å; L110-I203 HydrophobicContact CD1-CG2 3.62Å; L110-A206 HydrophobicContact CD1-CB 3.88Å; L110-A206 HydrophobicContact CD2-CB 4.44Å; L110-A206 HydrophobicContact CG-CB 4Å; L110-W209 HydrophobicContact CD2-CZ3 4.46Å |
| 111 | R | 87.3 | Confident | 89.7 | Confident | 108 Ų | 108 | 40.1 Ų | 40.1 | 41% | 0.408 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -63.6 | 145 | 172.8 | -66.3 | 172 | -173.4 | 161.7 | 6.3 | 109.7 | D105 N108 I109 D113 Y114 A115 | D105-R111 IonicContact OD2-CZ 3.96Å; D105-R111 IonicContact OD2-NH1 2.71Å; D105-R111 PolarHBondContact OD2-NH1 3.33Å; D105-R111 IonicContact OD2-NH2 3.53Å; N108-R111 HydrophobicContact CB-CG 4.33Å; N108-R111 WeakPolarHBondContact O-CD 3.3Å; N108-R111 WeakPolarHBondContact O-CG 3.43Å; I109-R111 PolarHBondContact O-N 3.39Å; R111-D113 VanDerWaalsContact C-N 3.34Å; R111-D113 PolarHBondContact O-N 3.44Å; R111-Y114 HydrophobicContact CB-CD2 3.84Å; R111-Y114 PolarHBondContact O-N 3.23Å; R111-A115 PolarHBondContact O-N 2.84Å |
| 112 | A | 84.3 | Confident | 89.6 | Confident | 36 Ų | 36 | 40.5 Ų | 40.5 | 30% | 0.298 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -49.6 | -50 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y114 A115 D116 Q165 | A112-Y114 VanDerWaalsContact C-N 3.29Å; A112-Y114 PolarHBondContact O-N 3.29Å; A112-A115 PolarHBondContact O-N 3.47Å; A112-D116 PolarHBondContact O-N 2.87Å; A112-Q165 HydrophobicContact CB-CG 4Å |
| 113 | D | 87.7 | Confident | 89.6 | Confident | 111 Ų | 111 | 43.9 Ų | 43.9 | 59% | 0.594 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -62.7 | -34.5 | -178.7 | -52.9 | -32 | 0 | 0 | 0 | 113.3 | R111 S117 M244 | R111-D113 VanDerWaalsContact C-N 3.34Å; R111-D113 PolarHBondContact O-N 3.44Å; D113-S117 WeakPolarHBondContact O-CB 3.27Å; D113-S117 PolarHBondContact O-N 3.3Å; D113-S117 PolarHBondContact O-OG 3.37Å; D113-M244 HydrophobicContact CB-SD 4.47Å |
| 114 | Y | 90 | Very high | 89.8 | Confident | 28 Ų | 28 | 46.5 Ų | 46.5 | 11% | 0.11 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -76.9 | -43.7 | 178.2 | -74.4 | -100.4 | 0 | 0 | 0 | 110.5 | A103 D105 I109 R111 A112 D116 S117 V118 M244 L245 | A103-Y114 HydrophobicContact CB-CD1 3.92Å; A103-Y114 HydrophobicContact CB-CE1 3.58Å; D105-Y114 PolarHBondContact OD1-OH 3.29Å; D105-Y114 PolarHBondContact OD2-OH 2.96Å; I109-Y114 HydrophobicContact CD1-CD1 4.14Å; I109-Y114 WeakPolarHBondContact O-CB 3.37Å; R111-Y114 HydrophobicContact CB-CD2 3.84Å; R111-Y114 PolarHBondContact O-N 3.23Å; A112-Y114 VanDerWaalsContact C-N 3.29Å; A112-Y114 PolarHBondContact O-N 3.29Å; Y114-D116 VanDerWaalsContact C-N 3.32Å; Y114-D116 PolarHBondContact O-N 3.22Å; Y114-S117 CarbonylContact O-C 3.55Å; Y114-S117 WeakPolarHBondContact O-CA 3.37Å; Y114-S117 WeakPolarHBondContact O-CB 3.32Å; Y114-S117 PolarHBondContact O-N 3.21Å; Y114-V118 WeakPolarHBondContact O-CG2 3.48Å; Y114-V118 PolarHBondContact O-N 2.74Å; Y114-M244 HydrophobicContact CD1-CB 4.3Å; Y114-M244 HydrophobicContact CE1-CB 4.04Å; Y114-L245 HydrophobicContact CD1-CD2 4.05Å |
| 115 | A | 88 | Confident | 90 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 2% | 0.017 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.6 | -41.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R111 A112 S117 V118 N119 | R111-A115 PolarHBondContact O-N 2.84Å; A112-A115 PolarHBondContact O-N 3.47Å; A115-S117 VanDerWaalsContact C-N 3.29Å; A115-S117 PolarHBondContact O-N 3.26Å; A115-V118 PolarHBondContact O-N 2.93Å; A115-N119 WeakPolarHBondContact O-CB 3.36Å; A115-N119 PolarHBondContact O-N 3.16Å |
| 116 | D | 88.7 | Confident | 90.3 | Very high | 74 Ų | 74 | 37.4 Ų | 37.4 | 40% | 0.396 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.5 | -37.5 | 173.1 | -80.9 | -35.7 | 0 | 0 | 0 | 112.2 | A112 Y114 N119 R120 Q165 | A112-D116 PolarHBondContact O-N 2.87Å; Y114-D116 VanDerWaalsContact C-N 3.32Å; Y114-D116 PolarHBondContact O-N 3.22Å; D116-N119 PolarHBondContact O-N 3.48Å; D116-R120 WeakPolarHBondContact O-CB 3.39Å; D116-R120 PolarHBondContact O-N 2.88Å; D116-Q165 PolarHBondContact OD1-NE2 3.36Å; D116-Q165 PolarHBondContact OD2-NE2 3.01Å |
| 117 | S | 90.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.007 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.8 | -38.5 | 177.4 | -61.4 | 0 | 0 | 0 | 0 | 112.2 | D113 Y114 A115 N119 R120 L121 M244 | D113-S117 WeakPolarHBondContact O-CB 3.27Å; D113-S117 PolarHBondContact O-N 3.3Å; D113-S117 PolarHBondContact O-OG 3.37Å; Y114-S117 CarbonylContact O-C 3.55Å; Y114-S117 WeakPolarHBondContact O-CA 3.37Å; Y114-S117 WeakPolarHBondContact O-CB 3.32Å; Y114-S117 PolarHBondContact O-N 3.21Å; A115-S117 VanDerWaalsContact C-N 3.29Å; A115-S117 PolarHBondContact O-N 3.26Å; S117-N119 VanDerWaalsContact C-N 3.35Å; S117-R120 VanDerWaalsContact CB-NH2 3.27Å; S117-R120 PolarHBondContact O-N 3.45Å; S117-R120 PolarHBondContact OG-NH1 2.92Å; S117-R120 PolarHBondContact OG-NH2 3.02Å; S117-L121 PolarHBondContact O-N 2.61Å; S117-M244 WeakPolarHBondContact OG-CE 3.31Å |
| 118 | V | 92.5 | Very high | 91 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.7 | -41.6 | 172.9 | 178.1 | 0 | 0 | 0 | 0 | 110.1 | V101 I109 Y114 A115 L121 N122 L157 W209 L211 L245 | V101-V118 HydrophobicContact CG1-CG2 4.05Å; I109-V118 HydrophobicContact CD1-CG2 4.41Å; I109-V118 HydrophobicContact CG1-CG2 4.32Å; Y114-V118 WeakPolarHBondContact O-CG2 3.48Å; Y114-V118 PolarHBondContact O-N 2.74Å; A115-V118 PolarHBondContact O-N 2.93Å; V118-L121 WeakPolarHBondContact O-CB 3.38Å; V118-L121 PolarHBondContact O-N 3.44Å; V118-N122 PolarHBondContact O-N 2.82Å; V118-L157 HydrophobicContact CB-CD1 4.14Å; V118-L157 HydrophobicContact CG1-CD1 3.62Å; V118-L157 HydrophobicContact CG1-CD2 4.17Å; V118-W209 HydrophobicContact CB-CE3 4.48Å; V118-W209 HydrophobicContact CG1-CD2 4.32Å; V118-W209 HydrophobicContact CG1-CE3 4.09Å; V118-W209 HydrophobicContact CG2-CE3 4.37Å; V118-L211 HydrophobicContact CG1-CD1 4.27Å; V118-L211 HydrophobicContact CG1-CD2 4.23Å; V118-L245 HydrophobicContact CG2-CD1 4.24Å; V118-L245 HydrophobicContact CG2-CD2 4.06Å |
| 119 | N | 91.9 | Very high | 91.3 | Very high | 52 Ų | 52 | 42.9 Ų | 42.9 | 28% | 0.278 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.5 | -41.2 | 175.3 | -170 | 39.1 | 0 | 0 | 0 | 112.5 | A115 D116 S117 L121 N122 L123 L157 | A115-N119 WeakPolarHBondContact O-CB 3.36Å; A115-N119 PolarHBondContact O-N 3.16Å; D116-N119 PolarHBondContact O-N 3.48Å; S117-N119 VanDerWaalsContact C-N 3.35Å; N119-L121 VanDerWaalsContact C-N 3.31Å; N119-L121 PolarHBondContact O-N 2.94Å; N119-N122 PolarHBondContact O-N 3.35Å; N119-L123 WeakPolarHBondContact O-CG 3.42Å; N119-L123 PolarHBondContact O-N 2.95Å; N119-L157 HydrophobicContact CB-CD2 4.34Å; N119-L157 HydrophobicContact CB-CG 4.47Å |
| 120 | R | 92.1 | Very high | 91.6 | Very high | 109 Ų | 109 | 48.8 Ų | 48.8 | 41% | 0.411 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.7 | -41.6 | 172.9 | -177.8 | 176.3 | 60.8 | -109 | -2.3 | 111.7 | D116 S117 F124 D242 | D116-R120 WeakPolarHBondContact O-CB 3.39Å; D116-R120 PolarHBondContact O-N 2.88Å; S117-R120 VanDerWaalsContact CB-NH2 3.27Å; S117-R120 PolarHBondContact O-N 3.45Å; S117-R120 PolarHBondContact OG-NH1 2.92Å; S117-R120 PolarHBondContact OG-NH2 3.02Å; R120-F124 WeakPolarHBondContact O-CB 3.39Å; R120-F124 PolarHBondContact O-N 3.26Å; R120-D242 IonicContact CZ-OD2 3.5Å; R120-D242 IonicContact NE-OD2 3.23Å; R120-D242 IonicContact NH2-OD2 2.87Å; R120-D242 PolarHBondContact NH2-OD2 3.45Å |
| 121 | L | 93.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.6 | -45.1 | 174.6 | 177.6 | 65.8 | 0 | 0 | 0 | 111.8 | V101 S117 V118 N119 L123 F124 I125 L211 L237 Y240 I247 | V101-L121 HydrophobicContact CG2-CD2 3.67Å; S117-L121 PolarHBondContact O-N 2.61Å; V118-L121 WeakPolarHBondContact O-CB 3.38Å; V118-L121 PolarHBondContact O-N 3.44Å; N119-L121 VanDerWaalsContact C-N 3.31Å; N119-L121 PolarHBondContact O-N 2.94Å; L121-L123 PolarHBondContact O-N 2.93Å; L121-F124 WeakPolarHBondContact O-CB 3.49Å; L121-F124 PolarHBondContact O-N 3.32Å; L121-F124 VanDerWaalsContact O-N 3.15Å; L121-I125 HydrophobicContact CD1-CD1 4.25Å; L121-I125 HydrophobicContact CD1-CG1 4.48Å; L121-I125 HydrophobicContact CG-CD1 4.04Å; L121-I125 WeakPolarHBondContact O-CG1 3.4Å; L121-I125 PolarHBondContact O-N 3.35Å; L121-L211 HydrophobicContact CD2-CD1 4.29Å; L121-L237 HydrophobicContact CD1-CD2 3.74Å; L121-Y240 HydrophobicContact CD1-CD1 3.74Å; L121-Y240 HydrophobicContact CD1-CE1 3.61Å; L121-Y240 HydrophobicContact CD1-CE2 4.5Å; L121-Y240 HydrophobicContact CD1-CG 4.23Å; L121-I247 HydrophobicContact CD1-CD1 3.9Å; L121-I247 HydrophobicContact CD2-CD1 3.67Å; L121-I247 HydrophobicContact CD2-CG1 3.99Å; L121-I247 HydrophobicContact CD2-CG2 4.47Å; L121-I247 HydrophobicContact CG-CD1 4.42Å |
| 122 | N | 94.3 | Very high | 92.2 | Very high | 8 Ų | 8 | 51.1 Ų | 51.1 | 4% | 0.043 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.2 | -46.6 | 177.1 | -176.7 | 50 | 0 | 0 | 0 | 111.6 | V118 N119 F124 I125 I126 T153 L157 Y213 | V118-N122 PolarHBondContact O-N 2.82Å; N119-N122 PolarHBondContact O-N 3.35Å; N122-F124 VanDerWaalsContact C-N 3.3Å; N122-F124 PolarHBondContact O-N 3.49Å; N122-I125 PolarHBondContact O-N 2.89Å; N122-I126 WeakPolarHBondContact O-CG1 3.34Å; N122-I126 PolarHBondContact O-N 3.37Å; N122-T153 PolarHBondContact ND2-O 3.35Å; N122-L157 HydrophobicContact CB-CD2 3.53Å; N122-Y213 WeakPolarHBondContact OD1-CE1 3.35Å; N122-Y213 PolarHBondContact OD1-OH 2.95Å |
| 123 | L | 93.6 | Very high | 92.5 | Very high | 84 Ų | 84 | 51.6 Ų | 51.6 | 44% | 0.44 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.8 | -33 | 176.3 | -69.6 | 174.5 | 0 | 0 | 0 | 112.7 | N119 L121 N127 | N119-L123 WeakPolarHBondContact O-CG 3.42Å; N119-L123 PolarHBondContact O-N 2.95Å; L121-L123 PolarHBondContact O-N 2.93Å; L123-N127 VanDerWaalsContact O-CB 3.29Å; L123-N127 WeakPolarHBondContact O-CB 3.38Å; L123-N127 PolarHBondContact O-N 3.27Å; L123-N127 VanDerWaalsContact O-N 3.08Å; L123-N127 PolarHBondContact O-ND2 3.35Å |
| 124 | F | 94.9 | Very high | 92.5 | Very high | 59 Ų | 59 | 55.2 Ų | 55.2 | 26% | 0.259 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.8 | -49.7 | 173.3 | 173.5 | -94.3 | 0 | 0 | 0 | 111 | R120 L121 N122 I126 N127 Q128 I129 A236 Y240 | R120-F124 WeakPolarHBondContact O-CB 3.39Å; R120-F124 PolarHBondContact O-N 3.26Å; L121-F124 WeakPolarHBondContact O-CB 3.49Å; L121-F124 PolarHBondContact O-N 3.32Å; L121-F124 VanDerWaalsContact O-N 3.15Å; N122-F124 VanDerWaalsContact C-N 3.3Å; N122-F124 PolarHBondContact O-N 3.49Å; F124-I126 VanDerWaalsContact C-N 3.34Å; F124-I126 PolarHBondContact O-N 3.06Å; F124-N127 PolarHBondContact O-N 3.17Å; F124-Q128 HydrophobicContact CD2-CB 3.8Å; F124-Q128 HydrophobicContact CD2-CG 3.59Å; F124-Q128 HydrophobicContact CE2-CB 3.76Å; F124-Q128 HydrophobicContact CE2-CG 3.91Å; F124-Q128 HydrophobicContact CG-CB 4.39Å; F124-Q128 HydrophobicContact CG-CG 4.35Å; F124-Q128 HydrophobicContact CZ-CB 4.33Å; F124-Q128 VanDerWaalsContact O-CB 3.26Å; F124-Q128 WeakPolarHBondContact O-CB 3.42Å; F124-Q128 PolarHBondContact O-N 2.97Å; F124-I129 HydrophobicContact CE1-CG1 4.43Å; F124-A236 HydrophobicContact CE1-CB 4.34Å; F124-Y240 HydrophobicContact CB-CE2 4.34Å; F124-Y240 AromaticContact CD1-CD2 3.78Å; F124-Y240 HydrophobicContact CD1-CD2 3.78Å; F124-Y240 AromaticContact CD1-CE2 4Å; F124-Y240 HydrophobicContact CD1-CE2 4Å; F124-Y240 HydrophobicContact CD2-CD2 4.22Å; F124-Y240 HydrophobicContact CD2-CE2 4.02Å; F124-Y240 AromaticContact CE1-CD2 3.68Å; F124-Y240 HydrophobicContact CE1-CD2 3.68Å; F124-Y240 HydrophobicContact CE1-CE2 4.32Å; F124-Y240 HydrophobicContact CE1-CG 4.41Å; F124-Y240 HydrophobicContact CE2-CD2 4.15Å; F124-Y240 HydrophobicContact CE2-CE2 4.35Å; F124-Y240 HydrophobicContact CG-CD2 4.06Å; F124-Y240 AromaticContact CG-CE2 3.85Å; F124-Y240 HydrophobicContact CG-CE2 3.85Å; F124-Y240 AromaticContact CZ-CD2 3.88Å; F124-Y240 HydrophobicContact CZ-CD2 3.88Å; F124-Y240 HydrophobicContact CZ-CE2 4.49Å |
| 125 | I | 94.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58 | -47.4 | 179.6 | -68.7 | 162.6 | 0 | 0 | 0 | 110.8 | L121 N122 I129 Y213 W229 F233 L237 | L121-I125 HydrophobicContact CD1-CD1 4.25Å; L121-I125 HydrophobicContact CD1-CG1 4.48Å; L121-I125 HydrophobicContact CG-CD1 4.04Å; L121-I125 WeakPolarHBondContact O-CG1 3.4Å; L121-I125 PolarHBondContact O-N 3.35Å; N122-I125 PolarHBondContact O-N 2.89Å; I125-I129 HydrophobicContact CB-CD1 4.16Å; I125-I129 HydrophobicContact CG1-CD1 4.11Å; I125-I129 HydrophobicContact CG2-CD1 4.1Å; I125-I129 WeakPolarHBondContact O-CB 3.48Å; I125-Y213 HydrophobicContact CB-CE1 4.39Å; I125-Y213 HydrophobicContact CD1-CE2 3.64Å; I125-Y213 WeakPolarHBondContact CD1-OH 3.14Å; I125-Y213 HydrophobicContact CG2-CD1 4.08Å; I125-Y213 HydrophobicContact CG2-CD2 4.2Å; I125-Y213 HydrophobicContact CG2-CE1 3.76Å; I125-Y213 HydrophobicContact CG2-CE2 3.89Å; I125-Y213 HydrophobicContact CG2-CG 4.29Å; I125-W229 HydrophobicContact CG2-CH2 4.03Å; I125-W229 HydrophobicContact CG2-CZ2 4.24Å; I125-F233 HydrophobicContact CD1-CE2 4.13Å; I125-F233 HydrophobicContact CG1-CE2 4.29Å; I125-F233 HydrophobicContact CG2-CD2 4.01Å; I125-F233 HydrophobicContact CG2-CE2 3.88Å; I125-L237 HydrophobicContact CD1-CD1 4.3Å; I125-L237 HydrophobicContact CD1-CD2 3.99Å; I125-L237 HydrophobicContact CG1-CD2 3.9Å |
| 126 | I | 93.6 | Very high | 92.7 | Very high | 11 Ų | 11 | 69.2 Ų | 69.2 | 6% | 0.056 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.7 | -44.8 | -177 | -68.7 | 168 | 0 | 0 | 0 | 112.1 | N122 F124 Y140 M141 T153 Y213 | N122-I126 WeakPolarHBondContact O-CG1 3.34Å; N122-I126 PolarHBondContact O-N 3.37Å; F124-I126 VanDerWaalsContact C-N 3.34Å; F124-I126 PolarHBondContact O-N 3.06Å; I126-Y140 HydrophobicContact CB-CD1 4.49Å; I126-Y140 HydrophobicContact CG1-CD1 3.92Å; I126-Y140 HydrophobicContact CG1-CE1 4.46Å; I126-Y140 HydrophobicContact CG2-CD1 4.35Å; I126-M141 HydrophobicContact CG2-CE 3.46Å; I126-M141 VanDerWaalsContact CG2-CE 3.46Å; I126-M141 HydrophobicContact CG2-CG 4.16Å; I126-M141 HydrophobicContact CG2-SD 4.46Å; I126-T153 HydrophobicContact CD1-CG2 3.89Å; I126-Y213 HydrophobicContact CG1-CE1 4.28Å |
| 127 | N | 94.3 | Very high | 92.9 | Very high | 81 Ų | 81 | 69.5 Ų | 69.5 | 43% | 0.433 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -98.4 | -31.6 | -166.9 | -65.5 | -53.1 | 0 | 0 | 0 | 114.6 | L123 F124 K130 | L123-N127 VanDerWaalsContact O-CB 3.29Å; L123-N127 WeakPolarHBondContact O-CB 3.38Å; L123-N127 PolarHBondContact O-N 3.27Å; L123-N127 VanDerWaalsContact O-N 3.08Å; L123-N127 PolarHBondContact O-ND2 3.35Å; F124-N127 PolarHBondContact O-N 3.17Å; N127-K130 WeakPolarHBondContact O-CE 3.39Å |
| 128 | Q | 93.7 | Very high | 93 | Very high | 128 Ų | 128 | 71.3 Ų | 71.3 | 60% | 0.598 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -96.1 | -31.1 | -171.5 | -59.8 | -62.2 | -37 | 0 | 0 | 112.6 | F124 K130 | F124-Q128 HydrophobicContact CD2-CB 3.8Å; F124-Q128 HydrophobicContact CD2-CG 3.59Å; F124-Q128 HydrophobicContact CE2-CB 3.76Å; F124-Q128 HydrophobicContact CE2-CG 3.91Å; F124-Q128 HydrophobicContact CG-CB 4.39Å; F124-Q128 HydrophobicContact CG-CG 4.35Å; F124-Q128 HydrophobicContact CZ-CB 4.33Å; F124-Q128 VanDerWaalsContact O-CB 3.26Å; F124-Q128 WeakPolarHBondContact O-CB 3.42Å; F124-Q128 PolarHBondContact O-N 2.97Å; Q128-K130 PolarHBondContact O-N 3.4Å |
| 129 | I | 95.1 | Very high | 93.1 | Very high | 6 Ų | 6 | 71.7 Ų | 71.7 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | trans | -78.6 | 112.1 | -178.8 | -53.1 | -178.5 | 0 | 0 | 0 | 108.9 | F124 I125 W229 E232 F233 A236 | F124-I129 HydrophobicContact CE1-CG1 4.43Å; I125-I129 HydrophobicContact CB-CD1 4.16Å; I125-I129 HydrophobicContact CG1-CD1 4.11Å; I125-I129 HydrophobicContact CG2-CD1 4.1Å; I125-I129 WeakPolarHBondContact O-CB 3.48Å; I129-W229 HydrophobicContact CB-CZ2 4.23Å; I129-W229 HydrophobicContact CG2-CD2 4.46Å; I129-W229 HydrophobicContact CG2-CZ2 4.09Å; I129-W229 PolarHBondContact O-NE1 3.28Å; I129-E232 HydrophobicContact CG2-CB 4.3Å; I129-F233 HydrophobicContact CD1-CD2 3.99Å; I129-A236 HydrophobicContact CD1-CB 3.75Å; I129-A236 HydrophobicContact CG1-CB 3.87Å | ||
| 130 | K | 95.1 | Very high | 93.2 | Very high | 124 Ų | 124 | 69.2 Ų | 69.2 | 54% | 0.539 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 141.4 | -175.6 | -64.6 | -174 | -174.3 | -176.2 | 0 | 110.9 | N127 Q128 T137 Y138 | N127-K130 WeakPolarHBondContact O-CE 3.39Å; Q128-K130 PolarHBondContact O-N 3.4Å; K130-T137 HydrophobicContact CB-CG2 3.68Å; K130-T137 HydrophobicContact CD-CG2 3.87Å; K130-T137 HydrophobicContact CG-CG2 4.23Å; K130-Y138 CarbonylContact C-O 3.49Å; K130-Y138 WeakPolarHBondContact CA-O 3.07Å |
| 131 | V | 94.6 | Very high | 93.3 | Very high | 11 Ų | 11 | 68.2 Ų | 68.2 | 7% | 0.067 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 137.7 | 176.9 | 177.3 | 0 | 0 | 0 | 0 | 109.8 | T137 Y138 L228 W229 E232 | V131-T137 CarbonylContact O-C 3.59Å; V131-T137 WeakPolarHBondContact O-CA 3.4Å; V131-Y138 PolarHBondContact N-O 2.65Å; V131-Y138 PolarHBondContact O-N 2.9Å; V131-L228 HydrophobicContact CG1-CB 3.78Å; V131-L228 HydrophobicContact CG1-CD1 4.23Å; V131-W229 VanDerWaalsContact CG2-CA 3.5Å; V131-W229 HydrophobicContact CG2-CB 3.89Å; V131-W229 HydrophobicContact CG2-CG 4.29Å; V131-E232 HydrophobicContact CG2-CB 4.08Å; V131-E232 HydrophobicContact CG2-CG 3.86Å |
| 132 | K | 92.4 | Very high | 93.2 | Very high | 149 Ų | 149 | 72.6 Ų | 72.6 | 65% | 0.648 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101 | 117.1 | 174.1 | -170 | 176.9 | 179.2 | -179.3 | 0 | 110.5 | R136 | K132-R136 CarbonylContact C-O 3.43Å; K132-R136 WeakPolarHBondContact CA-O 3.39Å |
| 133 | Y | 91.8 | Very high | 93.1 | Very high | 45 Ų | 45 | 72.2 Ų | 72.2 | 18% | 0.176 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 131.6 | 175.7 | 179 | -109.8 | 0 | 0 | 0 | 110.3 | N135 R136 Y138 N221 Y224 V225 L228 | Y133-N135 VanDerWaalsContact C-N 3.28Å; Y133-N135 PolarHBondContact O-N 2.87Å; Y133-R136 PolarHBondContact N-O 3.41Å; Y133-R136 PolarHBondContact O-N 3.25Å; Y133-R136 VanDerWaalsContact O-O 3.08Å; Y133-Y138 HydrophobicContact CD1-CE2 4.4Å; Y133-N221 WeakPolarHBondContact CE1-OD1 3.45Å; Y133-Y224 HydrophobicContact CD2-CE1 4.26Å; Y133-Y224 HydrophobicContact CE2-CD1 4.05Å; Y133-Y224 AromaticContact CE2-CE1 3.74Å; Y133-Y224 HydrophobicContact CE2-CE1 3.74Å; Y133-V225 HydrophobicContact CD1-CG2 3.33Å; Y133-V225 HydrophobicContact CE1-CG2 3.77Å; Y133-V225 HydrophobicContact CG-CG2 3.79Å; Y133-L228 HydrophobicContact CD2-CD1 4.3Å |
| 134 | R | 87.8 | Confident | 93 | Very high | 188 Ų | 188 | 68.2 Ų | 68.2 | 71% | 0.709 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.2 | 46.7 | -177.7 | -63 | -178 | 179.5 | -172.8 | 0.5 | 113.9 | R136 | R134-R136 PolarHBondContact O-N 2.97Å; R134-R136 VanDerWaalsContact O-N 3.09Å |
| 135 | N | 88.2 | Confident | 92.8 | Very high | 146 Ų | 146 | 65.6 Ų | 65.6 | 78% | 0.781 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 3.4 | -176.6 | -69.2 | -25.3 | 0 | 0 | 0 | 116.8 | Y133 | Y133-N135 VanDerWaalsContact C-N 3.28Å; Y133-N135 PolarHBondContact O-N 2.87Å |
| 136 | R | 92.5 | Very high | 92.6 | Very high | 177 Ų | 177 | 67.5 Ų | 67.5 | 67% | 0.668 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 145.8 | 167.8 | -67.6 | -174.2 | 179.4 | -170.2 | 0.4 | 109.8 | K132 Y133 R134 Y138 | K132-R136 CarbonylContact C-O 3.43Å; K132-R136 WeakPolarHBondContact CA-O 3.39Å; Y133-R136 PolarHBondContact N-O 3.41Å; Y133-R136 PolarHBondContact O-N 3.25Å; Y133-R136 VanDerWaalsContact O-O 3.08Å; R134-R136 PolarHBondContact O-N 2.97Å; R134-R136 VanDerWaalsContact O-N 3.09Å; R136-Y138 HydrophobicContact CB-CD2 4.3Å; R136-Y138 HydrophobicContact CB-CE2 3.61Å |
| 137 | T | 93.5 | Very high | 92.1 | Very high | 81 Ų | 81 | 70.8 Ų | 70.8 | 50% | 0.497 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 123.1 | 173.4 | -54.6 | 0 | 0 | 0 | 0 | 107 | K130 V131 | K130-T137 HydrophobicContact CB-CG2 3.68Å; K130-T137 HydrophobicContact CD-CG2 3.87Å; K130-T137 HydrophobicContact CG-CG2 4.23Å; V131-T137 CarbonylContact O-C 3.59Å; V131-T137 WeakPolarHBondContact O-CA 3.4Å |
| 138 | Y | 93.7 | Very high | 91.3 | Very high | 38 Ų | 38 | 72.3 Ų | 72.3 | 15% | 0.149 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 120.7 | 179.7 | -64.8 | -91.8 | 0 | 0 | 0 | 108.4 | K130 V131 Y133 R136 D142 L143 V225 | K130-Y138 CarbonylContact C-O 3.49Å; K130-Y138 WeakPolarHBondContact CA-O 3.07Å; V131-Y138 PolarHBondContact N-O 2.65Å; V131-Y138 PolarHBondContact O-N 2.9Å; Y133-Y138 HydrophobicContact CD1-CE2 4.4Å; R136-Y138 HydrophobicContact CB-CD2 4.3Å; R136-Y138 HydrophobicContact CB-CE2 3.61Å; Y138-D142 HydrophobicContact CD1-CB 4.1Å; Y138-L143 HydrophobicContact CD1-CD2 3.97Å; Y138-L143 HydrophobicContact CD1-CG 4.41Å; Y138-L143 HydrophobicContact CG-CD2 4.4Å; Y138-V225 HydrophobicContact CD1-CG1 4.32Å; Y138-V225 HydrophobicContact CD2-CG1 3.75Å; Y138-V225 HydrophobicContact CE2-CG1 4.28Å; Y138-V225 HydrophobicContact CG-CG1 3.78Å |
| 139 | G | 94 | Very high | 90.8 | Very high | 8 Ų | 8 | 70.1 Ų | 70.1 | 8% | 0.082 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | -175.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | M141 D142 | G139-M141 VanDerWaalsContact C-N 3.32Å; G139-M141 PolarHBondContact O-N 3.15Å; G139-D142 PolarHBondContact N-OD2 3.45Å; G139-D142 PolarHBondContact O-N 3.38Å |
| 140 | Y | 94.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.8 | -45.2 | 174 | 177.7 | -108.3 | 0 | 0 | 0 | 112.1 | I126 D142 L143 C144 C151 F152 T153 Y213 L215 W229 | I126-Y140 HydrophobicContact CB-CD1 4.49Å; I126-Y140 HydrophobicContact CG1-CD1 3.92Å; I126-Y140 HydrophobicContact CG1-CE1 4.46Å; I126-Y140 HydrophobicContact CG2-CD1 4.35Å; Y140-D142 PolarHBondContact O-N 2.98Å; Y140-D142 VanDerWaalsContact O-N 3.14Å; Y140-L143 CarbonylContact O-C 3.55Å; Y140-L143 PolarHBondContact O-N 3.34Å; Y140-C144 HydrophobicContact CD1-CB 4.46Å; Y140-C144 HydrophobicContact CE1-CB 3.96Å; Y140-C144 HydrophobicContact CE2-CB 4.14Å; Y140-C144 WeakPolarHBondContact O-CB 3.44Å; Y140-C144 PolarHBondContact O-N 2.95Å; Y140-C151 HydrophobicContact CE1-CB 4.42Å; Y140-F152 WeakPolarHBondContact CE1-O 3.44Å; Y140-F152 PolarHBondContact OH-O 3.24Å; Y140-T153 HydrophobicContact CE1-CG2 4.41Å; Y140-Y213 HydrophobicContact CD2-CD1 4.41Å; Y140-Y213 HydrophobicContact CE1-CD1 4.33Å; Y140-Y213 AromaticContact CE2-CD1 3.98Å; Y140-Y213 HydrophobicContact CE2-CD1 3.98Å; Y140-Y213 HydrophobicContact CE2-CG 4.37Å; Y140-Y213 AromaticContact CZ-CD1 3.93Å; Y140-L215 HydrophobicContact CD2-CD2 3.76Å; Y140-L215 HydrophobicContact CE2-CD2 3.8Å; Y140-W229 AromaticContact CD2-CH2 3.92Å; Y140-W229 HydrophobicContact CD2-CH2 3.92Å; Y140-W229 AromaticContact CD2-CZ2 3.87Å; Y140-W229 HydrophobicContact CD2-CZ2 3.87Å; Y140-W229 HydrophobicContact CG-CZ2 4.3Å |
| 141 | M | 92.6 | Very high | 90 | Very high | 88 Ų | 88 | 68.8 Ų | 68.8 | 43% | 0.433 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.7 | -20.1 | -177.7 | -65.8 | -67.8 | -173.8 | 0 | 0 | 114 | I126 G139 C151 T153 | I126-M141 HydrophobicContact CG2-CE 3.46Å; I126-M141 VanDerWaalsContact CG2-CE 3.46Å; I126-M141 HydrophobicContact CG2-CG 4.16Å; I126-M141 HydrophobicContact CG2-SD 4.46Å; G139-M141 VanDerWaalsContact C-N 3.32Å; G139-M141 PolarHBondContact O-N 3.15Å; M141-C151 HydrophobicContact SD-CB 3.71Å; M141-T153 HydrophobicContact CE-CG2 3.52Å; M141-T153 HydrophobicContact SD-CG2 4.31Å |
| 142 | D | 91.5 | Very high | 89.6 | Confident | 92 Ų | 92 | 69.8 Ų | 69.8 | 49% | 0.492 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -87.5 | -18.5 | 177.2 | -55.3 | -55.5 | 0 | 0 | 0 | 112.4 | Y138 G139 Y140 | Y138-D142 HydrophobicContact CD1-CB 4.1Å; G139-D142 PolarHBondContact N-OD2 3.45Å; G139-D142 PolarHBondContact O-N 3.38Å; Y140-D142 PolarHBondContact O-N 2.98Å; Y140-D142 VanDerWaalsContact O-N 3.14Å |
| 143 | L | 92.9 | Very high | 89.4 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -119.7 | -5.4 | -171.5 | -63.1 | 173 | 0 | 0 | 0 | 113.1 | Y138 Y140 L215 Q216 V225 W229 | Y138-L143 HydrophobicContact CD1-CD2 3.97Å; Y138-L143 HydrophobicContact CD1-CG 4.41Å; Y138-L143 HydrophobicContact CG-CD2 4.4Å; Y140-L143 CarbonylContact O-C 3.55Å; Y140-L143 PolarHBondContact O-N 3.34Å; L143-L215 HydrophobicContact CB-CD2 4.05Å; L143-L215 CarbonylContact O-C 3.48Å; L143-L215 VanDerWaalsContact O-CA 3.26Å; L143-L215 WeakPolarHBondContact O-CA 3.41Å; L143-Q216 WeakPolarHBondContact O-CG 3.32Å; L143-Q216 PolarHBondContact O-N 3.22Å; L143-V225 HydrophobicContact CD1-CG1 3.99Å; L143-V225 HydrophobicContact CD2-CB 4.23Å; L143-V225 HydrophobicContact CD2-CG1 3.86Å; L143-W229 HydrophobicContact CD1-CB 3.8Å; L143-W229 HydrophobicContact CD1-CG 4.04Å |
| 144 | C | 92.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -64 | 150.4 | -179.6 | 79 | 0 | 0 | 0 | 0 | 110.7 | Y140 C151 Q216 | Y140-C144 HydrophobicContact CD1-CB 4.46Å; Y140-C144 HydrophobicContact CE1-CB 3.96Å; Y140-C144 HydrophobicContact CE2-CB 4.14Å; Y140-C144 WeakPolarHBondContact O-CB 3.44Å; Y140-C144 PolarHBondContact O-N 2.95Å; C144-C151 HydrophobicContact CB-CB 3.68Å; C144-C151 WeakPolarHBondContact CB-SG 3.37Å; C144-C151 WeakPolarHBondContact SG-CA 3.18Å; C144-C151 WeakPolarHBondContact SG-CB 3.16Å; C144-C151 CovalentContact SG-SG 2.01Å; C144-C151 PolarHBondContact SG-SG 3.37Å; C144-Q216 VanDerWaalsContact O-CG 3.28Å; C144-Q216 WeakPolarHBondContact O-CG 3.22Å; C144-Q216 PolarHBondContact O-NE2 2.95Å; C144-Q216 VanDerWaalsContact O-NE2 3.17Å |
| 145 | L | 90.1 | Very high | 88.8 | Confident | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 130.1 | 160.8 | -83 | 172.9 | 0 | 0 | 0 | 109.7 | L80 D82 Y85 Q214 Q216 F217 | L80-L145 HydrophobicContact CD1-CD1 4.14Å; L80-L145 HydrophobicContact CD2-CD1 3.96Å; L80-L145 HydrophobicContact CG-CD1 4.02Å; D82-L145 HydrophobicContact CB-CD2 4.18Å; Y85-L145 HydrophobicContact CD1-CB 4.41Å; Y85-L145 HydrophobicContact CD2-CD1 4.24Å; Y85-L145 HydrophobicContact CG-CB 3.98Å; L145-Q214 HydrophobicContact CB-CG 4.18Å; L145-Q214 HydrophobicContact CD1-CG 3.38Å; L145-Q214 HydrophobicContact CG-CG 4.12Å; L145-Q214 PolarHBondContact N-O 3.41Å; L145-Q216 HydrophobicContact CD2-CG 3.97Å; L145-Q216 HydrophobicContact CG-CG 4.33Å; L145-F217 HydrophobicContact CD1-CD1 4.29Å; L145-F217 HydrophobicContact CD1-CE1 3.87Å |
| 146 | H | 89.4 | Confident | 88.4 | Confident | 40 Ų | 40 | 51.5 Ų | 51.5 | 19% | 0.185 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 150.3 | 179.6 | -59.2 | 88.2 | 0 | 0 | 0 | 112.1 | D82 G83 N84 Y85 A149 T150 | D82-H146 IonicContact OD1-CE1 2.82Å; D82-H146 IonicContact OD1-CG 3.99Å; D82-H146 PolarHBondContact OD1-N 3.07Å; D82-H146 IonicContact OD1-ND1 3.78Å; D82-H146 PolarHBondContact OD1-ND1 3.29Å; D82-H146 IonicContact OD2-ND1 2.77Å; D82-H146 PolarHBondContact OD2-ND1 3.23Å; G83-H146 CarbonylContact C-O 3.52Å; G83-H146 WeakPolarHBondContact CA-O 3.49Å; G83-H146 PolarHBondContact N-O 3.29Å; N84-H146 PolarHBondContact N-O 2.89Å; Y85-H146 PolarHBondContact N-O 2.64Å; H146-A149 PolarHBondContact CD2-O 2.81Å; H146-T150 CarbonylContact C-O 3.58Å; H146-T150 VanDerWaalsContact CA-O 3.29Å; H146-T150 WeakPolarHBondContact CA-O 3.49Å |
| 147 | W | 83.3 | Confident | 87.8 | Confident | 80 Ų | 80 | 43.1 Ų | 43.1 | 30% | 0.303 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 109.4 | 158.5 | 175 | 26.5 | 0 | 0 | 0 | 108.7 | A149 T150 E655 F659 | W147-A149 PolarHBondContact O-N 3.06Å; W147-T150 PolarHBondContact N-O 2.82Å; W147-T150 PolarHBondContact O-N 3.07Å; W147-T150 PolarHBondContact O-OG1 2.95Å; W147-T150 VanDerWaalsContact O-OG1 3.06Å; W147-E655 HydrophobicContact CZ2-CB 4.25Å; W147-E655 HydrophobicContact CZ2-CG 4.41Å; W147-E655 PolarHBondContact NE1-OE1 3.15Å; W147-F659 AromaticContact NE1-CE2 3.83Å |
| 148 | E | 77.7 | Confident | 87.1 | Confident | 113 Ų | 113 | 41 Ų | 41 | 53% | 0.528 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | -33.4 | -172.8 | -67.6 | -157.3 | 153.9 | 0 | 0 | 117.3 | G83 E655 R658 | G83-E148 PolarHBondContact O-N 2.95Å; E148-E655 WeakPolarHBondContact CG-OE1 3.24Å; E148-R658 IonicContact OE1-NH1 2.91Å; E148-R658 PolarHBondContact OE1-NH1 3.11Å; E148-R658 VanDerWaalsContact OE1-NH1 3.12Å |
| 149 | A | 82.6 | Confident | 86.2 | Confident | 82 Ų | 82 | 41.5 Ų | 41.5 | 68% | 0.678 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -171.4 | -0.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | H146 W147 | H146-A149 PolarHBondContact CD2-O 2.81Å; W147-A149 PolarHBondContact O-N 3.06Å |
| 150 | T | 87 | Confident | 85.5 | Confident | 81 Ų | 81 | 41.4 Ų | 41.4 | 50% | 0.497 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 137.7 | -170.1 | 63 | 0 | 0 | 0 | 0 | 111.7 | H146 W147 | H146-T150 CarbonylContact C-O 3.58Å; H146-T150 VanDerWaalsContact CA-O 3.29Å; H146-T150 WeakPolarHBondContact CA-O 3.49Å; W147-T150 PolarHBondContact N-O 2.82Å; W147-T150 PolarHBondContact O-N 3.07Å; W147-T150 PolarHBondContact O-OG1 2.95Å; W147-T150 VanDerWaalsContact O-OG1 3.06Å |
| 151 | C | 88.3 | Confident | 84.7 | Confident | 20 Ų | 20 | 41.8 Ų | 41.8 | 14% | 0.135 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 139.6 | 171.8 | -68.2 | 0 | 0 | 0 | 0 | 111.2 | Y140 M141 C144 T153 | Y140-C151 HydrophobicContact CE1-CB 4.42Å; M141-C151 HydrophobicContact SD-CB 3.71Å; C144-C151 HydrophobicContact CB-CB 3.68Å; C144-C151 WeakPolarHBondContact CB-SG 3.37Å; C144-C151 WeakPolarHBondContact SG-CA 3.18Å; C144-C151 WeakPolarHBondContact SG-CB 3.16Å; C144-C151 CovalentContact SG-SG 2.01Å; C144-C151 PolarHBondContact SG-SG 3.37Å; C151-T153 HydrophobicContact CB-CG2 4.27Å; C151-T153 PolarHBondContact O-N 2.97Å |
| 152 | F | 86.3 | Confident | 83.9 | Confident | 33 Ų | 33 | 41.5 Ų | 41.5 | 15% | 0.145 | 24% | 0.244 | C | C | . | . | trans | -67.6 | 117.1 | 167.4 | -177.4 | -101.7 | 0 | 0 | 0 | 110.6 | Y85 A87 Y140 N154 P155 | Y85-F152 HydrophobicContact CD1-CB 3.9Å; Y85-F152 HydrophobicContact CD1-CG 4.44Å; Y85-F152 HydrophobicContact CE1-CB 3.57Å; Y85-F152 HydrophobicContact CE1-CD1 4.06Å; Y85-F152 HydrophobicContact CE1-CD2 4.31Å; Y85-F152 AromaticContact CE1-CG 3.73Å; Y85-F152 HydrophobicContact CE1-CG 3.73Å; A87-F152 HydrophobicContact CB-CD2 4.13Å; A87-F152 HydrophobicContact CB-CE1 4.13Å; A87-F152 HydrophobicContact CB-CE2 3.49Å; A87-F152 VanDerWaalsContact CB-CE2 3.49Å; A87-F152 HydrophobicContact CB-CZ 3.49Å; A87-F152 VanDerWaalsContact CB-CZ 3.49Å; Y140-F152 WeakPolarHBondContact CE1-O 3.44Å; Y140-F152 PolarHBondContact OH-O 3.24Å; F152-N154 WeakPolarHBondContact CE1-OD1 3.24Å; F152-P155 VanDerWaalsContact CE2-CD 3.45Å; F152-P155 HydrophobicContact CE2-CG 4.06Å | ||
| 153 | T | 87.1 | Confident | 83.2 | Confident | 49 Ų | 49 | 37.5 Ų | 37.5 | 30% | 0.301 | 22% | 0.224 | S | C | . | . | trans | -122 | 31.2 | -175.4 | 49 | 0 | 0 | 0 | 0 | 112.8 | N122 I126 Y140 M141 C151 | N122-T153 PolarHBondContact ND2-O 3.35Å; I126-T153 HydrophobicContact CD1-CG2 3.89Å; Y140-T153 HydrophobicContact CE1-CG2 4.41Å; M141-T153 HydrophobicContact CE-CG2 3.52Å; M141-T153 HydrophobicContact SD-CG2 4.31Å; C151-T153 HydrophobicContact CB-CG2 4.27Å; C151-T153 PolarHBondContact O-N 2.97Å | ||
| 154 | N | 87.6 | Confident | 82.3 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.011 | 24% | 0.237 | C | C | . | . | trans | 54.1 | 58.7 | -173.9 | -66.3 | -77.8 | 0 | 0 | 0 | 112.3 | F152 Q156 L157 L211 V212 | F152-N154 WeakPolarHBondContact CE1-OD1 3.24Å; N154-Q156 PolarHBondContact O-N 2.81Å; N154-Q156 VanDerWaalsContact O-N 3.07Å; N154-Q156 PolarHBondContact OD1-NE2 3.03Å; N154-L157 WeakPolarHBondContact O-CB 2.87Å; N154-L157 PolarHBondContact O-N 3.05Å; N154-L211 HydrophobicContact CB-CD2 4.4Å; N154-V212 PolarHBondContact ND2-O 3.31Å; N154-V212 PolarHBondContact OD1-N 3.06Å; N154-V212 PolarHBondContact OD1-O 2.9Å | ||
| 155 | P | 80.5 | Confident | 81.4 | Confident | 76 Ų | 76 | 44.1 Ų | 44.1 | 49% | 0.494 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57.4 | -26.8 | -175.6 | 25.4 | -35.1 | 0 | 0 | 0 | 113.9 | F152 L157 G158 V159 | F152-P155 VanDerWaalsContact CE2-CD 3.45Å; F152-P155 HydrophobicContact CE2-CG 4.06Å; P155-L157 PolarHBondContact O-N 2.91Å; P155-G158 PolarHBondContact O-N 2.85Å; P155-V159 PolarHBondContact O-N 3.39Å |
| 156 | Q | 78.6 | Confident | 80.5 | Confident | 16 Ų | 16 | 45.7 Ų | 45.7 | 8% | 0.075 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.9 | -29.3 | 173.6 | 71 | -75.7 | 3.5 | 0 | 0 | 112.9 | N154 V159 I160 | N154-Q156 PolarHBondContact O-N 2.81Å; N154-Q156 VanDerWaalsContact O-N 3.07Å; N154-Q156 PolarHBondContact OD1-NE2 3.03Å; Q156-V159 PolarHBondContact O-N 2.91Å; Q156-I160 HydrophobicContact CB-CD1 4.26Å; Q156-I160 WeakPolarHBondContact O-CB 3.4Å; Q156-I160 WeakPolarHBondContact O-CD1 3.32Å; Q156-I160 VanDerWaalsContact O-CG1 3.24Å; Q156-I160 WeakPolarHBondContact O-CG1 3.09Å; Q156-I160 PolarHBondContact O-N 2.96Å |
| 157 | L | 81.1 | Confident | 79 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.7 | -46 | 177.3 | -177.9 | 56 | 0 | 0 | 0 | 112.2 | V118 N119 N122 N154 P155 V159 S161 W209 L211 | V118-L157 HydrophobicContact CB-CD1 4.14Å; V118-L157 HydrophobicContact CG1-CD1 3.62Å; V118-L157 HydrophobicContact CG1-CD2 4.17Å; N119-L157 HydrophobicContact CB-CD2 4.34Å; N119-L157 HydrophobicContact CB-CG 4.47Å; N122-L157 HydrophobicContact CB-CD2 3.53Å; N154-L157 WeakPolarHBondContact O-CB 2.87Å; N154-L157 PolarHBondContact O-N 3.05Å; P155-L157 PolarHBondContact O-N 2.91Å; L157-V159 VanDerWaalsContact C-N 3.34Å; L157-V159 PolarHBondContact O-N 3.01Å; L157-S161 WeakPolarHBondContact O-CB 3.09Å; L157-S161 PolarHBondContact O-N 3.1Å; L157-S161 PolarHBondContact O-OG 3.5Å; L157-W209 VanDerWaalsContact CA-CZ2 3.49Å; L157-W209 HydrophobicContact CB-CH2 4.38Å; L157-W209 HydrophobicContact CB-CZ2 4.04Å; L157-W209 HydrophobicContact CD1-CD2 4.37Å; L157-W209 HydrophobicContact CD1-CE3 4.09Å; L157-W209 HydrophobicContact CD1-CH2 3.19Å; L157-W209 HydrophobicContact CD1-CZ2 3.52Å; L157-W209 HydrophobicContact CD1-CZ3 3.49Å; L157-W209 VanDerWaalsContact CD1-CZ3 3.49Å; L157-W209 HydrophobicContact CG-CH2 4.32Å; L157-W209 HydrophobicContact CG-CZ2 4.38Å; L157-L211 HydrophobicContact CD2-CD2 4.37Å |
| 158 | G | 77.2 | Confident | 77.8 | Confident | 36 Ų | 36 | 56.6 Ų | 56.6 | 37% | 0.371 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.8 | -40.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P155 S161 T162 | P155-G158 PolarHBondContact O-N 2.85Å; G158-S161 WeakPolarHBondContact CA-OG 3.48Å; G158-S161 PolarHBondContact O-OG 2.97Å; G158-T162 WeakPolarHBondContact O-CB 3.31Å; G158-T162 VanDerWaalsContact O-CG2 3.23Å; G158-T162 WeakPolarHBondContact O-CG2 3.48Å; G158-T162 PolarHBondContact O-N 3.31Å; G158-T162 PolarHBondContact O-OG1 3.44Å |
| 159 | V | 75.8 | Confident | 76.7 | Confident | 50 Ų | 50 | 62.3 Ų | 62.3 | 30% | 0.303 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -72.8 | -44.4 | -177.9 | -174.5 | 0 | 0 | 0 | 0 | 112.4 | P155 Q156 L157 T162 A163 L181 | P155-V159 PolarHBondContact O-N 3.39Å; Q156-V159 PolarHBondContact O-N 2.91Å; L157-V159 VanDerWaalsContact C-N 3.34Å; L157-V159 PolarHBondContact O-N 3.01Å; V159-T162 WeakPolarHBondContact CA-OG1 3.46Å; V159-T162 PolarHBondContact O-OG1 2.92Å; V159-A163 WeakPolarHBondContact O-CB 3.38Å; V159-A163 PolarHBondContact O-N 3.08Å; V159-L181 HydrophobicContact CB-CD1 4.12Å; V159-L181 HydrophobicContact CG1-CD1 3.37Å; V159-L181 HydrophobicContact CG1-CD2 3.35Å; V159-L181 HydrophobicContact CG1-CG 3.95Å; V159-L181 HydrophobicContact CG2-CD1 4.26Å |
| 160 | I | 77.9 | Confident | 75.4 | Confident | 6 Ų | 6 | 64.4 Ų | 64.4 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -69 | -42.1 | 179.5 | -66.7 | 164.9 | 0 | 0 | 0 | 110.1 | L110 Q156 T162 A163 Y164 L174 L188 L192 W209 | L110-I160 HydrophobicContact CD2-CG2 3.7Å; Q156-I160 HydrophobicContact CB-CD1 4.26Å; Q156-I160 WeakPolarHBondContact O-CB 3.4Å; Q156-I160 WeakPolarHBondContact O-CD1 3.32Å; Q156-I160 VanDerWaalsContact O-CG1 3.24Å; Q156-I160 WeakPolarHBondContact O-CG1 3.09Å; Q156-I160 PolarHBondContact O-N 2.96Å; I160-T162 PolarHBondContact O-N 2.96Å; I160-A163 PolarHBondContact O-N 3.23Å; I160-Y164 HydrophobicContact CG2-CD2 3.85Å; I160-Y164 HydrophobicContact CG2-CE2 4.01Å; I160-Y164 VanDerWaalsContact O-CD2 3.32Å; I160-Y164 WeakPolarHBondContact O-CD2 3.39Å; I160-Y164 PolarHBondContact O-N 3.39Å; I160-Y164 VanDerWaalsContact O-N 3.12Å; I160-L174 HydrophobicContact CG1-CD1 4.38Å; I160-L188 HydrophobicContact CD1-CD2 3.87Å; I160-L192 HydrophobicContact CD1-CD1 4.2Å; I160-L192 HydrophobicContact CD1-CG 4.46Å; I160-W209 HydrophobicContact CB-CH2 3.67Å; I160-W209 HydrophobicContact CB-CZ2 4.02Å; I160-W209 HydrophobicContact CD1-CH2 4.27Å; I160-W209 HydrophobicContact CD1-CZ2 3.77Å; I160-W209 HydrophobicContact CG1-CZ2 4.49Å; I160-W209 HydrophobicContact CG2-CH2 3.58Å; I160-W209 HydrophobicContact CG2-CZ2 4.19Å; I160-W209 HydrophobicContact CG2-CZ3 4.17Å |
| 161 | S | 78.6 | Confident | 73.9 | Confident | 7 Ų | 7 | 62.8 Ų | 62.8 | 5% | 0.049 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.3 | -47.1 | 176.6 | 56.3 | 0 | 0 | 0 | 0 | 111.8 | L157 G158 A163 Y164 Q165 | L157-S161 WeakPolarHBondContact O-CB 3.09Å; L157-S161 PolarHBondContact O-N 3.1Å; L157-S161 PolarHBondContact O-OG 3.5Å; G158-S161 WeakPolarHBondContact CA-OG 3.48Å; G158-S161 PolarHBondContact O-OG 2.97Å; S161-A163 PolarHBondContact O-N 3.27Å; S161-Y164 PolarHBondContact O-N 3.42Å; S161-Q165 VanDerWaalsContact O-CB 3.23Å; S161-Q165 WeakPolarHBondContact O-CB 3.3Å; S161-Q165 WeakPolarHBondContact O-CG 3.21Å; S161-Q165 PolarHBondContact O-N 2.8Å |
| 162 | T | 76.9 | Confident | 72.9 | Confident | 82 Ų | 82 | 66.8 Ų | 66.8 | 50% | 0.503 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63 | -39.9 | 177.3 | 50.2 | 0 | 0 | 0 | 0 | 112.8 | G158 V159 I160 Y164 S166 | G158-T162 WeakPolarHBondContact O-CB 3.31Å; G158-T162 VanDerWaalsContact O-CG2 3.23Å; G158-T162 WeakPolarHBondContact O-CG2 3.48Å; G158-T162 PolarHBondContact O-N 3.31Å; G158-T162 PolarHBondContact O-OG1 3.44Å; V159-T162 WeakPolarHBondContact CA-OG1 3.46Å; V159-T162 PolarHBondContact O-OG1 2.92Å; I160-T162 PolarHBondContact O-N 2.96Å; T162-Y164 PolarHBondContact O-N 3.19Å; T162-S166 PolarHBondContact O-N 3.03Å |
| 163 | A | 75.5 | Confident | 72.4 | Confident | 9 Ų | 9 | 69.5 Ų | 69.5 | 7% | 0.074 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.6 | -49.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V159 I160 S161 S166 F172 L174 | V159-A163 WeakPolarHBondContact O-CB 3.38Å; V159-A163 PolarHBondContact O-N 3.08Å; I160-A163 PolarHBondContact O-N 3.23Å; S161-A163 PolarHBondContact O-N 3.27Å; A163-S166 PolarHBondContact O-OG 2.96Å; A163-F172 HydrophobicContact CB-CB 3.69Å; A163-F172 HydrophobicContact CB-CD2 4.1Å; A163-F172 HydrophobicContact CB-CG 3.98Å; A163-L174 HydrophobicContact CB-CD1 4.27Å |
| 164 | Y | 75.4 | Confident | 72.2 | Confident | 66 Ų | 66 | 67.5 Ų | 67.5 | 26% | 0.259 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -86.1 | -15.7 | -176.3 | -73.6 | -79.5 | 0 | 0 | 0 | 115.1 | L110 I160 S161 T162 L174 I203 | L110-Y164 HydrophobicContact CB-CD1 4.37Å; L110-Y164 HydrophobicContact CB-CD2 4.14Å; L110-Y164 HydrophobicContact CB-CE1 4.47Å; L110-Y164 HydrophobicContact CB-CE2 4.25Å; L110-Y164 HydrophobicContact CB-CG 4.21Å; L110-Y164 HydrophobicContact CD1-CE1 4.41Å; L110-Y164 HydrophobicContact CD1-CE2 3.84Å; L110-Y164 HydrophobicContact CD2-CE2 4.38Å; L110-Y164 HydrophobicContact CG-CE2 4.38Å; L110-Y164 WeakPolarHBondContact O-CB 3.27Å; I160-Y164 HydrophobicContact CG2-CD2 3.85Å; I160-Y164 HydrophobicContact CG2-CE2 4.01Å; I160-Y164 VanDerWaalsContact O-CD2 3.32Å; I160-Y164 WeakPolarHBondContact O-CD2 3.39Å; I160-Y164 PolarHBondContact O-N 3.39Å; I160-Y164 VanDerWaalsContact O-N 3.12Å; S161-Y164 PolarHBondContact O-N 3.42Å; T162-Y164 PolarHBondContact O-N 3.19Å; Y164-L174 HydrophobicContact CE2-CD1 3.79Å; Y164-I203 WeakPolarHBondContact OH-CB 3.36Å; Y164-I203 WeakPolarHBondContact OH-CG2 3.5Å; Y164-I203 PolarHBondContact OH-O 2.99Å |
| 165 | Q | 72.6 | Confident | 72.2 | Confident | 74 Ų | 74 | 69.9 Ų | 69.9 | 35% | 0.346 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -79.3 | -26 | 170.8 | -76.1 | 173.2 | -0.3 | 0 | 0 | 112.8 | A112 D116 S161 R167 | A112-Q165 HydrophobicContact CB-CG 4Å; D116-Q165 PolarHBondContact OD1-NE2 3.36Å; D116-Q165 PolarHBondContact OD2-NE2 3.01Å; S161-Q165 VanDerWaalsContact O-CB 3.23Å; S161-Q165 WeakPolarHBondContact O-CB 3.3Å; S161-Q165 WeakPolarHBondContact O-CG 3.21Å; S161-Q165 PolarHBondContact O-N 2.8Å; Q165-R167 PolarHBondContact O-N 3.17Å |
| 166 | S | 70.6 | Confident | 72.6 | Confident | 36 Ų | 36 | 67.7 Ų | 67.7 | 25% | 0.252 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -59.8 | 131.5 | 178.4 | 75.8 | 0 | 0 | 0 | 0 | 110.1 | T162 A163 D168 | T162-S166 PolarHBondContact O-N 3.03Å; A163-S166 PolarHBondContact O-OG 2.96Å; S166-D168 PolarHBondContact O-N 2.88Å; S166-D168 VanDerWaalsContact O-N 3.07Å; S166-D168 PolarHBondContact OG-O 3.33Å |
| 167 | R | 57.5 | Low | 73.1 | Confident | 256 Ų | 256 | 67.3 Ų | 67.3 | 97% | 0.966 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -58.4 | -22.5 | -179.8 | -99.3 | -177 | 176.7 | 176.8 | -0.2 | 112.8 | Q165 R169 | Q165-R167 PolarHBondContact O-N 3.17Å; R167-R169 PolarHBondContact O-N 2.99Å |
| 168 | D | 59.7 | Low | 73.4 | Confident | 94 Ų | 94 | 68.1 Ų | 68.1 | 50% | 0.503 | 34% | 0.341 | S | S | . | . | trans | -87.9 | 90.4 | 177.4 | -166 | -1.6 | 0 | 0 | 0 | 109.5 | S166 N170 A171 | S166-D168 PolarHBondContact O-N 2.88Å; S166-D168 VanDerWaalsContact O-N 3.07Å; S166-D168 PolarHBondContact OG-O 3.33Å; D168-N170 PolarHBondContact O-N 3.2Å; D168-N170 PolarHBondContact OD1-N 3.29Å; D168-A171 HydrophobicContact CB-CB 3.79Å; D168-A171 WeakPolarHBondContact O-CB 3.29Å; D168-A171 PolarHBondContact O-N 2.87Å | ||
| 169 | R | 53.8 | Low | 73.9 | Confident | 232 Ų | 232 | 66.6 Ų | 66.6 | 88% | 0.875 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -18.4 | 176.3 | -73.2 | -173.5 | 177.2 | -172.4 | -0.6 | 113.2 | R167 | R167-R169 PolarHBondContact O-N 2.99Š|
| 170 | N | 55.7 | Low | 74.1 | Confident | 126 Ų | 126 | 70 Ų | 70 | 67% | 0.674 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -6.8 | 179.7 | -64.4 | -15.4 | 0 | 0 | 0 | 113.5 | D168 F172 | D168-N170 PolarHBondContact O-N 3.2Å; D168-N170 PolarHBondContact OD1-N 3.29Å; N170-F172 VanDerWaalsContact C-N 3.3Å; N170-F172 PolarHBondContact O-N 3.3Å |
| 171 | A | 55.9 | Low | 74 | Confident | 48 Ų | 48 | 71.9 Ų | 71.9 | 40% | 0.397 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -69.2 | -27.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D168 | D168-A171 HydrophobicContact CB-CB 3.79Å; D168-A171 WeakPolarHBondContact O-CB 3.29Å; D168-A171 PolarHBondContact O-N 2.87Å |
| 172 | F | 65.8 | Low | 73.9 | Confident | 104 Ų | 104 | 75.2 Ų | 75.2 | 46% | 0.456 | 38% | 0.377 | S | S | . | . | trans | -135.5 | 82.5 | -178.3 | -63 | -77.9 | 0 | 0 | 0 | 111.4 | A163 N170 L174 | A163-F172 HydrophobicContact CB-CB 3.69Å; A163-F172 HydrophobicContact CB-CD2 4.1Å; A163-F172 HydrophobicContact CB-CG 3.98Å; N170-F172 VanDerWaalsContact C-N 3.3Å; N170-F172 PolarHBondContact O-N 3.3Å; F172-L174 PolarHBondContact O-N 3.26Å | ||
| 173 | N | 76.2 | Confident | 73.8 | Confident | 89 Ų | 89 | 73 Ų | 73 | 48% | 0.476 | 37% | 0.365 | S | S | . | . | trans | -74.2 | 86.2 | 172.6 | -76 | -6.6 | 0 | 0 | 0 | 110.8 | ||||
| 174 | L | 84 | Confident | 74 | Confident | 7 Ų | 7 | 75.7 Ų | 75.7 | 4% | 0.037 | 38% | 0.376 | C | S | . | . | trans | -74.9 | 126.7 | 178.4 | -58.9 | 174.6 | 0 | 0 | 0 | 110.9 | I160 A163 Y164 F172 T179 H202 I203 | I160-L174 HydrophobicContact CG1-CD1 4.38Å; A163-L174 HydrophobicContact CB-CD1 4.27Å; Y164-L174 HydrophobicContact CE2-CD1 3.79Å; F172-L174 PolarHBondContact O-N 3.26Å; L174-T179 HydrophobicContact CD2-CG2 4.32Å; L174-T179 WeakPolarHBondContact CD2-OG1 3.18Å; L174-H202 CarbonylContact O-C 3.54Å; L174-H202 VanDerWaalsContact O-CA 3.25Å; L174-H202 WeakPolarHBondContact O-CA 3.38Å; L174-I203 HydrophobicContact CB-CD1 4.12Å; L174-I203 PolarHBondContact O-N 3.08Å | ||
| 175 | T | 87.4 | Confident | 74.5 | Confident | 53 Ų | 53 | 72.6 Ų | 72.6 | 33% | 0.325 | 36% | 0.364 | S | S | . | . | B | Isolated β-bridge | trans | -89.9 | 156.7 | 174.4 | 49.6 | 0 | 0 | 0 | 0 | 111.6 | I178 T179 H202 | T175-I178 CarbonylContact C-O 3.37Å; T175-I178 CarbonylContact O-C 3.55Å; T175-I178 PolarHBondContact OG1-O 3.04Å; T175-T179 WeakPolarHBondContact O-CB 3.47Å; T175-H202 WeakPolarHBondContact CG2-ND1 3.36Å |
| 176 | Y | 88.7 | Confident | 75.1 | Confident | 29 Ų | 29 | 70.8 Ų | 70.8 | 11% | 0.114 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -126.5 | 143.7 | 176.4 | -178.5 | -90.5 | 0 | 0 | 0 | 110 | L188 V195 L197 Y572 M609 | Y176-L188 HydrophobicContact CD2-CB 4.36Å; Y176-V195 HydrophobicContact CD2-CB 4.2Å; Y176-V195 HydrophobicContact CD2-CG1 3.94Å; Y176-V195 HydrophobicContact CD2-CG2 3.97Å; Y176-V195 HydrophobicContact CE2-CB 4.16Å; Y176-V195 HydrophobicContact CE2-CG1 4.41Å; Y176-V195 HydrophobicContact CE2-CG2 3.72Å; Y176-V195 HydrophobicContact CG-CG1 4.04Å; Y176-L197 VanDerWaalsContact CB-CD2 3.49Å; Y176-L197 HydrophobicContact CD1-CD1 4.35Å; Y176-L197 HydrophobicContact CD1-CD2 4.45Å; Y176-L197 HydrophobicContact CG-CD2 4.22Å; Y176-Y572 PolarHBondContact OH-O 2.88Å; Y176-Y572 VanDerWaalsContact OH-O 3.1Å; Y176-M609 HydrophobicContact CD1-CE 4.37Å; Y176-M609 HydrophobicContact CE1-CE 3.64Å |
| 177 | P | 88 | Confident | 76 | Confident | 8 Ų | 8 | 69.7 Ų | 69.7 | 5% | 0.052 | 35% | 0.347 | C | S | . | . | S | Bend | cis | -82.4 | -18.5 | 3.7 | 32.5 | -36.2 | 0 | 0 | 0 | 114.4 | Y187 L188 M609 | P177-Y187 HydrophobicContact CB-CD2 4.39Å; P177-Y187 HydrophobicContact CB-CE2 3.81Å; P177-Y187 HydrophobicContact CG-CE2 4.19Å; P177-L188 WeakPolarHBondContact O-CB 3.1Å; P177-L188 PolarHBondContact O-N 2.83Å; P177-M609 HydrophobicContact CB-CE 3.84Å; P177-M609 HydrophobicContact CB-SD 4.48Å; P177-M609 HydrophobicContact CG-CE 3.73Å; P177-M609 HydrophobicContact CG-SD 4.37Å |
| 178 | I | 88.6 | Confident | 77.5 | Confident | 19 Ų | 19 | 57.6 Ų | 57.6 | 10% | 0.097 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 125.1 | 178.3 | -59 | 165.8 | 0 | 0 | 0 | 108.6 | T175 P185 I186 Y187 D612 V614 M615 | T175-I178 CarbonylContact C-O 3.37Å; T175-I178 CarbonylContact O-C 3.55Å; T175-I178 PolarHBondContact OG1-O 3.04Å; I178-P185 HydrophobicContact CG2-CB 4.07Å; I178-I186 WeakPolarHBondContact CA-O 3.21Å; I178-Y187 HydrophobicContact CG1-CD2 3.85Å; I178-D612 VanDerWaalsContact CD1-O 3.29Å; I178-D612 WeakPolarHBondContact CD1-O 3.3Å; I178-V614 VanDerWaalsContact CD1-O 3.25Å; I178-V614 WeakPolarHBondContact CD1-O 3.36Å; I178-M615 HydrophobicContact CB-SD 4.31Å; I178-M615 HydrophobicContact CD1-CG 3.75Å; I178-M615 HydrophobicContact CD1-SD 3.35Å; I178-M615 WeakPolarHBondContact CD1-SD 3.29Å; I178-M615 HydrophobicContact CG1-CG 4.08Å; I178-M615 HydrophobicContact CG1-SD 3.57Å; I178-M615 VanDerWaalsContact CG1-SD 3.57Å; I178-M615 HydrophobicContact CG2-SD 3.73Å |
| 179 | T | 87 | Confident | 78.8 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 3% | 0.025 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 154.5 | 168.3 | -165.4 | 0 | 0 | 0 | 0 | 110.2 | L174 T175 I186 L188 | L174-T179 HydrophobicContact CD2-CG2 4.32Å; L174-T179 WeakPolarHBondContact CD2-OG1 3.18Å; T175-T179 WeakPolarHBondContact O-CB 3.47Å; T179-I186 HydrophobicContact CG2-CB 4.1Å; T179-I186 PolarHBondContact N-O 2.99Å; T179-I186 PolarHBondContact O-N 3.32Å; T179-L188 HydrophobicContact CG2-CD1 3.58Å; T179-L188 HydrophobicContact CG2-CD2 4.22Å; T179-L188 HydrophobicContact CG2-CG 3.85Å |
| 180 | R | 80.1 | Confident | 80.3 | Confident | 120 Ų | 120 | 43.6 Ų | 43.6 | 45% | 0.453 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 126.1 | 178.2 | -69.1 | -174.7 | 167.4 | 112.1 | -1.5 | 110.4 | Q184 E620 R623 | R180-Q184 WeakPolarHBondContact CA-O 3.42Å; R180-E620 IonicContact CZ-OE1 3.27Å; R180-E620 IonicContact NE-OE1 2.66Å; R180-E620 IonicContact NH2-OE1 2.99Å; R180-E620 PolarHBondContact NH2-OE1 3.49Å; R180-E620 IonicContact NH2-OE2 2.68Å; R180-R623 VanDerWaalsContact CD-NH1 3.26Å; R180-R623 VanDerWaalsContact NE-NH2 3.13Å |
| 181 | L | 75.9 | Confident | 81.9 | Confident | 46 Ų | 46 | 38.4 Ų | 38.4 | 24% | 0.241 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 102.6 | 176.8 | -72.5 | 155 | 0 | 0 | 0 | 108.1 | V159 S183 Q184 I186 | V159-L181 HydrophobicContact CB-CD1 4.12Å; V159-L181 HydrophobicContact CG1-CD1 3.37Å; V159-L181 HydrophobicContact CG1-CD2 3.35Å; V159-L181 HydrophobicContact CG1-CG 3.95Å; V159-L181 HydrophobicContact CG2-CD1 4.26Å; L181-S183 PolarHBondContact O-N 3.13Å; L181-Q184 PolarHBondContact N-O 2.71Å; L181-Q184 PolarHBondContact O-N 3.06Å; L181-Q184 VanDerWaalsContact O-N 3.12Å; L181-I186 HydrophobicContact CD1-CD1 3.48Å; L181-I186 VanDerWaalsContact CD1-CD1 3.48Å; L181-I186 HydrophobicContact CD1-CG1 4.31Å |
| 182 | G | 76.5 | Confident | 83.6 | Confident | 77 Ų | 77 | 36.1 Ų | 36.1 | 79% | 0.794 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | -120.3 | -163.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 183 | S | 74.7 | Confident | 84.8 | Confident | 37 Ų | 37 | 31.2 Ų | 31.2 | 26% | 0.259 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -16.9 | 177.7 | 51.9 | 0 | 0 | 0 | 0 | 114 | L181 R623 F654 | L181-S183 PolarHBondContact O-N 3.13Å; S183-R623 PolarHBondContact O-NH2 3.2Å; S183-F654 WeakPolarHBondContact O-CE1 3.24Å |
| 184 | Q | 80.7 | Confident | 85.5 | Confident | 65 Ų | 65 | 27 Ų | 27 | 30% | 0.304 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 126.7 | -171.7 | -175.8 | 174.1 | 14.5 | 0 | 0 | 112.9 | R180 L181 A653 | R180-Q184 WeakPolarHBondContact CA-O 3.42Å; L181-Q184 PolarHBondContact N-O 2.71Å; L181-Q184 PolarHBondContact O-N 3.06Å; L181-Q184 VanDerWaalsContact O-N 3.12Å; Q184-A653 HydrophobicContact CB-CB 4.46Å; Q184-A653 WeakPolarHBondContact CG-O 3.3Å |
| 185 | P | 85.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 132.9 | 174.7 | 34.7 | -33.9 | 0 | 0 | 0 | 112.3 | I178 M615 E620 R656 F657 | I178-P185 HydrophobicContact CG2-CB 4.07Å; P185-M615 HydrophobicContact CB-CE 3.79Å; P185-M615 HydrophobicContact CB-SD 4.17Å; P185-M615 HydrophobicContact CG-CE 3.81Å; P185-E620 HydrophobicContact CG-CG 4.05Å; P185-R656 PolarHBondContact O-NH1 2.96Å; P185-F657 HydrophobicContact CG-CE2 3.89Å; P185-F657 HydrophobicContact CG-CZ 3.73Å |
| 186 | I | 85.5 | Confident | 85.9 | Confident | 36 Ų | 36 | 31.3 Ų | 31.3 | 19% | 0.185 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 128.5 | 176.6 | -55.1 | -169.7 | 0 | 0 | 0 | 109.8 | I178 T179 L181 L188 | I178-I186 WeakPolarHBondContact CA-O 3.21Å; T179-I186 HydrophobicContact CG2-CB 4.1Å; T179-I186 PolarHBondContact N-O 2.99Å; T179-I186 PolarHBondContact O-N 3.32Å; L181-I186 HydrophobicContact CD1-CD1 3.48Å; L181-I186 VanDerWaalsContact CD1-CD1 3.48Å; L181-I186 HydrophobicContact CD1-CG1 4.31Å; I186-L188 HydrophobicContact CG2-CD2 4.13Å |
| 187 | Y | 88 | Confident | 85.9 | Confident | 14 Ų | 14 | 33.6 Ų | 33.6 | 6% | 0.055 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 115.1 | 173.7 | -170.4 | -98.7 | 0 | 0 | 0 | 109.7 | P177 I178 G189 G573 E575 M615 G683 | P177-Y187 HydrophobicContact CB-CD2 4.39Å; P177-Y187 HydrophobicContact CB-CE2 3.81Å; P177-Y187 HydrophobicContact CG-CE2 4.19Å; I178-Y187 HydrophobicContact CG1-CD2 3.85Å; Y187-G189 VanDerWaalsContact CE1-CA 3.45Å; Y187-G573 PolarHBondContact OH-O 3.1Å; Y187-E575 HydrophobicContact CD1-CB 4.34Å; Y187-E575 HydrophobicContact CE1-CB 3.85Å; Y187-M615 HydrophobicContact CD2-CG 4.01Å; Y187-M615 HydrophobicContact CG-CG 4.44Å; Y187-G683 WeakPolarHBondContact OH-CA 3.25Å |
| 188 | L | 89.1 | Confident | 85.9 | Confident | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | trans | -93.5 | -11.4 | -178.4 | -65.5 | 179.7 | 0 | 0 | 0 | 113.2 | I160 Y176 P177 T179 I186 S190 S191 L192 I203 | I160-L188 HydrophobicContact CD1-CD2 3.87Å; Y176-L188 HydrophobicContact CD2-CB 4.36Å; P177-L188 WeakPolarHBondContact O-CB 3.1Å; P177-L188 PolarHBondContact O-N 2.83Å; T179-L188 HydrophobicContact CG2-CD1 3.58Å; T179-L188 HydrophobicContact CG2-CD2 4.22Å; T179-L188 HydrophobicContact CG2-CG 3.85Å; I186-L188 HydrophobicContact CG2-CD2 4.13Å; L188-S190 PolarHBondContact O-N 2.95Å; L188-S191 PolarHBondContact O-N 3.34Å; L188-L192 HydrophobicContact CD1-CD1 4.33Å; L188-L192 PolarHBondContact O-N 3.37Å; L188-I203 HydrophobicContact CD1-CD1 3.61Å | ||
| 189 | G | 87.5 | Confident | 85.7 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -24 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y187 G573 | Y187-G189 VanDerWaalsContact CE1-CA 3.45Å; G189-G573 CarbonylContact C-O 3.12Å; G189-G573 WeakPolarHBondContact CA-O 3.41Å |
| 190 | S | 85.1 | Confident | 85.5 | Confident | 31 Ų | 31 | 52.2 Ų | 52.2 | 22% | 0.217 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -16.2 | 173.2 | 51 | 0 | 0 | 0 | 0 | 113.6 | L188 E575 | L188-S190 PolarHBondContact O-N 2.95Å; S190-E575 WeakPolarHBondContact CB-OE1 3.5Å; S190-E575 PolarHBondContact OG-OE1 3.12Å |
| 191 | S | 89.1 | Confident | 85.6 | Confident | 16 Ų | 16 | 47.9 Ų | 47.9 | 11% | 0.112 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -40.8 | -177.8 | -65.3 | 0 | 0 | 0 | 0 | 113.5 | L188 W209 M210 | L188-S191 PolarHBondContact O-N 3.34Å; S191-W209 CarbonylContact O-C 3.57Å; S191-W209 WeakPolarHBondContact O-CA 3.44Å; S191-W209 VanDerWaalsContact O-CD1 3.23Å; S191-M210 PolarHBondContact O-N 2.9Å |
| 192 | L | 91.3 | Very high | 86.1 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 131.6 | -178 | -65.1 | -179.8 | 0 | 0 | 0 | 110.6 | L110 I160 L188 V195 I203 A206 W209 | L110-L192 HydrophobicContact CD2-CD1 4.42Å; L110-L192 HydrophobicContact CD2-CD2 4.03Å; I160-L192 HydrophobicContact CD1-CD1 4.2Å; I160-L192 HydrophobicContact CD1-CG 4.46Å; L188-L192 HydrophobicContact CD1-CD1 4.33Å; L188-L192 PolarHBondContact O-N 3.37Å; L192-V195 HydrophobicContact CB-CG2 3.88Å; L192-I203 HydrophobicContact CD1-CD1 4.21Å; L192-A206 HydrophobicContact CB-CB 4.43Å; L192-A206 HydrophobicContact CD2-CB 4.41Å; L192-W209 HydrophobicContact CD2-CB 4.44Å; L192-W209 HydrophobicContact CD2-CD2 3.98Å; L192-W209 HydrophobicContact CD2-CG 3.96Å |
| 193 | G | 91.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 157.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V195 E207 A208 Y568 | G193-V195 VanDerWaalsContact C-N 3.31Å; G193-V195 PolarHBondContact O-N 2.93Å; G193-E207 PolarHBondContact O-N 2.84Å; G193-A208 PolarHBondContact N-O 2.9Å; G193-A208 PolarHBondContact O-N 2.8Å; G193-A208 VanDerWaalsContact O-N 3.11Å; G193-Y568 CarbonylContact C-O 3.59Å; G193-Y568 WeakPolarHBondContact CA-O 3.32Å |
| 194 | G | 90.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | S | Bend | trans | 66.7 | 31.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y568 Y572 | G194-Y568 PolarHBondContact N-O 3.03Å; G194-Y572 VanDerWaalsContact CA-CZ 3.49Å |
| 195 | V | 91.4 | Very high | 87.5 | Confident | 12 Ų | 12 | 46.4 Ų | 46.4 | 7% | 0.073 | 22% | 0.224 | C | C | . | . | trans | -73.1 | 132.8 | -171.1 | -177.3 | 0 | 0 | 0 | 0 | 111.2 | Y176 L192 G193 L197 I203 S205 A206 Y572 | Y176-V195 HydrophobicContact CD2-CB 4.2Å; Y176-V195 HydrophobicContact CD2-CG1 3.94Å; Y176-V195 HydrophobicContact CD2-CG2 3.97Å; Y176-V195 HydrophobicContact CE2-CB 4.16Å; Y176-V195 HydrophobicContact CE2-CG1 4.41Å; Y176-V195 HydrophobicContact CE2-CG2 3.72Å; Y176-V195 HydrophobicContact CG-CG1 4.04Å; L192-V195 HydrophobicContact CB-CG2 3.88Å; G193-V195 VanDerWaalsContact C-N 3.31Å; G193-V195 PolarHBondContact O-N 2.93Å; V195-L197 HydrophobicContact CG1-CD2 3.97Å; V195-I203 HydrophobicContact CG1-CG1 4.07Å; V195-I203 HydrophobicContact CG1-CG2 4.09Å; V195-S205 CarbonylContact C-O 3.56Å; V195-S205 WeakPolarHBondContact CA-O 3.07Å; V195-A206 HydrophobicContact CG2-CB 4.24Å; V195-Y572 WeakPolarHBondContact O-CE1 3.49Å | ||
| 196 | R | 89.8 | Confident | 87.8 | Confident | 139 Ų | 139 | 46.4 Ų | 46.4 | 53% | 0.525 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 134.8 | 169.5 | -56.6 | -175.4 | -171.9 | 178.1 | 4.7 | 109.3 | E204 S205 E207 | R196-E204 PolarHBondContact O-N 3.14Å; R196-S205 WeakPolarHBondContact CB-OG 3.29Å; R196-S205 PolarHBondContact N-O 3.49Å; R196-S205 PolarHBondContact O-N 2.01Å; R196-E207 IonicContact CZ-OE1 3.53Å; R196-E207 IonicContact NE-OE1 3.67Å; R196-E207 IonicContact NH2-OE1 3.7Å; R196-E207 PolarHBondContact NH2-OE1 3.18Å |
| 197 | L | 88.9 | Confident | 88.1 | Confident | 78 Ų | 78 | 46.1 Ų | 46.1 | 41% | 0.408 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 143.9 | -177.4 | -57.7 | 171.9 | 0 | 0 | 0 | 110.1 | Y176 V195 H202 I203 | Y176-L197 VanDerWaalsContact CB-CD2 3.49Å; Y176-L197 HydrophobicContact CD1-CD1 4.35Å; Y176-L197 HydrophobicContact CD1-CD2 4.45Å; Y176-L197 HydrophobicContact CG-CD2 4.22Å; V195-L197 HydrophobicContact CG1-CD2 3.97Å; L197-H202 CarbonylContact C-O 3.56Å; L197-H202 VanDerWaalsContact CA-O 3.28Å; L197-H202 WeakPolarHBondContact CA-O 3.01Å; L197-I203 HydrophobicContact CD2-CG1 4.21Å |
| 198 | N | 87 | Confident | 88.4 | Confident | 55 Ų | 55 | 45.4 Ų | 45.4 | 29% | 0.294 | 22% | 0.22 | S | C | . | . | trans | -76.1 | 176.9 | 169.1 | 76.7 | 1.6 | 0 | 0 | 0 | 111.2 | Y200 G201 H202 | N198-Y200 PolarHBondContact O-N 3.33Å; N198-Y200 WeakPolarHBondContact OD1-CA 3.34Å; N198-Y200 WeakPolarHBondContact OD1-CB 3.37Å; N198-Y200 PolarHBondContact OD1-N 2.57Å; N198-G201 PolarHBondContact O-N 3.35Å; N198-G201 PolarHBondContact OD1-N 3.04Å; N198-H202 PolarHBondContact N-O 2.89Å; N198-H202 PolarHBondContact OD1-N 2.95Å; N198-H202 PolarHBondContact OD1-O 3.42Å | ||
| 199 | E | 83.8 | Confident | 88.6 | Confident | 187 Ų | 187 | 45.3 Ų | 45.3 | 87% | 0.874 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -21.8 | 178.3 | -62.4 | -176.2 | 172.8 | 0 | 0 | 114.1 | ||
| 200 | Y | 83.1 | Confident | 88.9 | Confident | 180 Ų | 180 | 46.1 Ų | 46.1 | 71% | 0.706 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | 1.8 | -179.1 | -55.3 | -73 | 0 | 0 | 0 | 113.6 | N198 | N198-Y200 PolarHBondContact O-N 3.33Å; N198-Y200 WeakPolarHBondContact OD1-CA 3.34Å; N198-Y200 WeakPolarHBondContact OD1-CB 3.37Å; N198-Y200 PolarHBondContact OD1-N 2.57Å |
| 201 | G | 83.4 | Confident | 89.3 | Confident | 28 Ų | 28 | 44.6 Ų | 44.6 | 29% | 0.289 | 21% | 0.212 | S | C | . | . | S | Bend | trans | 79.6 | 13.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | N198 | N198-G201 PolarHBondContact O-N 3.35Å; N198-G201 PolarHBondContact OD1-N 3.04Å |
| 202 | H | 86.3 | Confident | 89.5 | Confident | 38 Ų | 38 | 45 Ų | 45 | 18% | 0.176 | 21% | 0.214 | C | C | . | . | B | Isolated β-bridge | trans | -88.5 | 150.9 | 173 | -54 | -47.7 | 0 | 0 | 0 | 111.5 | L174 T175 L197 N198 E204 | L174-H202 CarbonylContact O-C 3.54Å; L174-H202 VanDerWaalsContact O-CA 3.25Å; L174-H202 WeakPolarHBondContact O-CA 3.38Å; T175-H202 WeakPolarHBondContact CG2-ND1 3.36Å; L197-H202 CarbonylContact C-O 3.56Å; L197-H202 VanDerWaalsContact CA-O 3.28Å; L197-H202 WeakPolarHBondContact CA-O 3.01Å; N198-H202 PolarHBondContact N-O 2.89Å; N198-H202 PolarHBondContact OD1-N 2.95Å; N198-H202 PolarHBondContact OD1-O 3.42Å; H202-E204 PolarHBondContact O-N 3.39Å |
| 203 | I | 87.6 | Confident | 89.6 | Confident | 12 Ų | 12 | 44.9 Ų | 44.9 | 6% | 0.062 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 118.7 | 179.2 | -60.8 | 169.7 | 0 | 0 | 0 | 109.5 | L110 Y164 L174 L188 L192 V195 L197 | L110-I203 HydrophobicContact CD1-CG2 3.62Å; Y164-I203 WeakPolarHBondContact OH-CB 3.36Å; Y164-I203 WeakPolarHBondContact OH-CG2 3.5Å; Y164-I203 PolarHBondContact OH-O 2.99Å; L174-I203 HydrophobicContact CB-CD1 4.12Å; L174-I203 PolarHBondContact O-N 3.08Å; L188-I203 HydrophobicContact CD1-CD1 3.61Å; L192-I203 HydrophobicContact CD1-CD1 4.21Å; V195-I203 HydrophobicContact CG1-CG1 4.07Å; V195-I203 HydrophobicContact CG1-CG2 4.09Å; L197-I203 HydrophobicContact CD2-CG1 4.21Å |
| 204 | E | 85.6 | Confident | 89.6 | Confident | 127 Ų | 127 | 45 Ų | 45 | 59% | 0.593 | 21% | 0.214 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | -41.7 | 173.7 | -174.7 | -177.9 | -178.8 | 0 | 0 | 111 | N108 R196 H202 | N108-E204 PolarHBondContact ND2-O 3.4Å; R196-E204 PolarHBondContact O-N 3.14Å; H202-E204 PolarHBondContact O-N 3.39Å |
| 205 | S | 88.4 | Confident | 89.8 | Confident | 17 Ų | 17 | 45 Ų | 45 | 12% | 0.119 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 154.8 | 179.7 | 65.4 | 0 | 0 | 0 | 0 | 112.1 | N108 V195 R196 | N108-S205 VanDerWaalsContact CG-CB 3.42Å; N108-S205 WeakPolarHBondContact OD1-CA 3.26Å; V195-S205 CarbonylContact C-O 3.56Å; V195-S205 WeakPolarHBondContact CA-O 3.07Å; R196-S205 WeakPolarHBondContact CB-OG 3.29Å; R196-S205 PolarHBondContact N-O 3.49Å; R196-S205 PolarHBondContact O-N 2.01Å |
| 206 | A | 91.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -130.1 | 145.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | N108 I109 L110 L192 V195 | N108-A206 CarbonylContact C-O 3.6Å; N108-A206 WeakPolarHBondContact CA-O 3.48Å; N108-A206 PolarHBondContact OD1-N 2.91Å; N108-A206 PolarHBondContact OD1-O 2.64Å; I109-A206 HydrophobicContact CG2-CB 4.07Å; I109-A206 WeakPolarHBondContact CG2-O 3.03Å; I109-A206 PolarHBondContact N-O 2.82Å; L110-A206 HydrophobicContact CD1-CB 3.88Å; L110-A206 HydrophobicContact CD2-CB 4.44Å; L110-A206 HydrophobicContact CG-CB 4Å; L192-A206 HydrophobicContact CB-CB 4.43Å; L192-A206 HydrophobicContact CD2-CB 4.41Å; V195-A206 HydrophobicContact CG2-CB 4.24Å | ||
| 207 | E | 92.2 | Very high | 89.6 | Confident | 30 Ų | 30 | 40.7 Ų | 40.7 | 14% | 0.14 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -94.1 | -24.8 | -178.5 | -63.8 | -179 | -172.8 | 0 | 0 | 112 | G193 R196 Y568 | G193-E207 PolarHBondContact O-N 2.84Å; R196-E207 IonicContact CZ-OE1 3.53Å; R196-E207 IonicContact NE-OE1 3.67Å; R196-E207 IonicContact NH2-OE1 3.7Å; R196-E207 PolarHBondContact NH2-OE1 3.18Å; E207-Y568 HydrophobicContact CB-CD1 3.91Å; E207-Y568 HydrophobicContact CB-CE1 3.57Å; E207-Y568 WeakPolarHBondContact OE2-CE1 3.4Å |
| 208 | A | 93.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 153.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | I100 V101 G193 Y568 F569 | I100-A208 HydrophobicContact CG2-CB 4.03Å; V101-A208 CarbonylContact O-C 3.58Å; V101-A208 VanDerWaalsContact O-CA 3.31Å; V101-A208 WeakPolarHBondContact O-CA 3.23Å; G193-A208 PolarHBondContact N-O 2.9Å; G193-A208 PolarHBondContact O-N 2.8Å; G193-A208 VanDerWaalsContact O-N 3.11Å; A208-Y568 HydrophobicContact CB-CD1 3.98Å; A208-Y568 HydrophobicContact CB-CD2 3.74Å; A208-Y568 HydrophobicContact CB-CE1 4.48Å; A208-Y568 HydrophobicContact CB-CE2 4.3Å; A208-Y568 HydrophobicContact CB-CG 3.57Å; A208-F569 HydrophobicContact CB-CE2 4.28Å; A208-F569 HydrophobicContact CB-CZ 4.44Å |
| 209 | W | 93.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 124 | 175.7 | -160.5 | -22.6 | 0 | 0 | 0 | 110 | V101 L110 V118 L157 I160 S191 L192 | V101-W209 PolarHBondContact N-O 2.7Å; V101-W209 PolarHBondContact O-N 3.45Å; L110-W209 HydrophobicContact CD2-CZ3 4.46Å; V118-W209 HydrophobicContact CB-CE3 4.48Å; V118-W209 HydrophobicContact CG1-CD2 4.32Å; V118-W209 HydrophobicContact CG1-CE3 4.09Å; V118-W209 HydrophobicContact CG2-CE3 4.37Å; L157-W209 VanDerWaalsContact CA-CZ2 3.49Å; L157-W209 HydrophobicContact CB-CH2 4.38Å; L157-W209 HydrophobicContact CB-CZ2 4.04Å; L157-W209 HydrophobicContact CD1-CD2 4.37Å; L157-W209 HydrophobicContact CD1-CE3 4.09Å; L157-W209 HydrophobicContact CD1-CH2 3.19Å; L157-W209 HydrophobicContact CD1-CZ2 3.52Å; L157-W209 HydrophobicContact CD1-CZ3 3.49Å; L157-W209 VanDerWaalsContact CD1-CZ3 3.49Å; L157-W209 HydrophobicContact CG-CH2 4.32Å; L157-W209 HydrophobicContact CG-CZ2 4.38Å; I160-W209 HydrophobicContact CB-CH2 3.67Å; I160-W209 HydrophobicContact CB-CZ2 4.02Å; I160-W209 HydrophobicContact CD1-CH2 4.27Å; I160-W209 HydrophobicContact CD1-CZ2 3.77Å; I160-W209 HydrophobicContact CG1-CZ2 4.49Å; I160-W209 HydrophobicContact CG2-CH2 3.58Å; I160-W209 HydrophobicContact CG2-CZ2 4.19Å; I160-W209 HydrophobicContact CG2-CZ3 4.17Å; S191-W209 CarbonylContact O-C 3.57Å; S191-W209 WeakPolarHBondContact O-CA 3.44Å; S191-W209 VanDerWaalsContact O-CD1 3.23Å; L192-W209 HydrophobicContact CD2-CB 4.44Å; L192-W209 HydrophobicContact CD2-CD2 3.98Å; L192-W209 HydrophobicContact CD2-CG 3.96Å |
| 210 | M | 93.2 | Very high | 89.6 | Confident | 17 Ų | 17 | 42.3 Ų | 42.3 | 8% | 0.084 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 127.7 | 173 | -172.2 | 179.5 | -65.6 | 0 | 0 | 111.3 | I100 S191 V212 L565 F569 | I100-M210 HydrophobicContact CD1-CE 4.03Å; I100-M210 HydrophobicContact CG1-CB 4.34Å; I100-M210 HydrophobicContact CG1-CE 4.05Å; I100-M210 HydrophobicContact CG1-CG 4.21Å; S191-M210 PolarHBondContact O-N 2.9Å; M210-V212 HydrophobicContact CG-CG2 3.97Å; M210-V212 HydrophobicContact SD-CG2 4.07Å; M210-L565 HydrophobicContact CE-CD2 3.32Å; M210-F569 HydrophobicContact CB-CE1 3.83Å; M210-F569 HydrophobicContact CB-CE2 4.31Å; M210-F569 HydrophobicContact CB-CZ 3.55Å; M210-F569 HydrophobicContact CE-CD1 3.93Å; M210-F569 HydrophobicContact CE-CD2 3.78Å; M210-F569 HydrophobicContact CE-CE1 3.96Å; M210-F569 HydrophobicContact CE-CE2 3.83Å; M210-F569 HydrophobicContact CE-CG 3.84Å; M210-F569 HydrophobicContact CE-CZ 3.94Å |
| 211 | L | 94.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 128.9 | 169.5 | -58 | 176.4 | 0 | 0 | 0 | 108.2 | Q98 S99 V101 V118 L121 N154 L157 Y213 | Q98-L211 WeakPolarHBondContact CA-O 3.37Å; S99-L211 PolarHBondContact N-O 3.07Å; S99-L211 PolarHBondContact O-N 2.92Å; V101-L211 HydrophobicContact CG2-CD1 4.12Å; V118-L211 HydrophobicContact CG1-CD1 4.27Å; V118-L211 HydrophobicContact CG1-CD2 4.23Å; L121-L211 HydrophobicContact CD2-CD1 4.29Å; N154-L211 HydrophobicContact CB-CD2 4.4Å; L157-L211 HydrophobicContact CD2-CD2 4.37Å; L211-Y213 HydrophobicContact CB-CE2 3.79Å |
| 212 | V | 92.4 | Very high | 90.2 | Very high | 23 Ų | 23 | 37.4 Ų | 37.4 | 14% | 0.139 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 135.6 | 179.7 | -176.4 | 0 | 0 | 0 | 0 | 108.9 | E96 Q98 N154 M210 | E96-V212 HydrophobicContact CG-CG1 3.84Å; Q98-V212 HydrophobicContact CG-CG2 4.5Å; N154-V212 PolarHBondContact ND2-O 3.31Å; N154-V212 PolarHBondContact OD1-N 3.06Å; N154-V212 PolarHBondContact OD1-O 2.9Å; M210-V212 HydrophobicContact CG-CG2 3.97Å; M210-V212 HydrophobicContact SD-CG2 4.07Å |
| 213 | Y | 93.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 105.5 | 178 | -58.9 | -82.3 | 0 | 0 | 0 | 108.2 | C97 N122 I125 I126 Y140 L211 F233 | C97-Y213 PolarHBondContact N-O 2.86Å; C97-Y213 PolarHBondContact O-N 3.46Å; N122-Y213 WeakPolarHBondContact OD1-CE1 3.35Å; N122-Y213 PolarHBondContact OD1-OH 2.95Å; I125-Y213 HydrophobicContact CB-CE1 4.39Å; I125-Y213 HydrophobicContact CD1-CE2 3.64Å; I125-Y213 WeakPolarHBondContact CD1-OH 3.14Å; I125-Y213 HydrophobicContact CG2-CD1 4.08Å; I125-Y213 HydrophobicContact CG2-CD2 4.2Å; I125-Y213 HydrophobicContact CG2-CE1 3.76Å; I125-Y213 HydrophobicContact CG2-CE2 3.89Å; I125-Y213 HydrophobicContact CG2-CG 4.29Å; I126-Y213 HydrophobicContact CG1-CE1 4.28Å; Y140-Y213 HydrophobicContact CD2-CD1 4.41Å; Y140-Y213 HydrophobicContact CE1-CD1 4.33Å; Y140-Y213 AromaticContact CE2-CD1 3.98Å; Y140-Y213 HydrophobicContact CE2-CD1 3.98Å; Y140-Y213 HydrophobicContact CE2-CG 4.37Å; Y140-Y213 AromaticContact CZ-CD1 3.93Å; L211-Y213 HydrophobicContact CB-CE2 3.79Å; Y213-F233 AromaticContact CD2-CE2 3.98Å; Y213-F233 HydrophobicContact CD2-CE2 3.98Å; Y213-F233 HydrophobicContact CD2-CZ 4.24Å; Y213-F233 HydrophobicContact CE2-CE2 4.25Å |
| 214 | Q | 92.2 | Very high | 90.7 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 131.3 | 177.2 | -175.3 | 63.8 | 43.3 | 0 | 0 | 110.5 | Y85 L94 E96 L145 | Y85-Q214 HydrophobicContact CD2-CB 4.3Å; Y85-Q214 HydrophobicContact CD2-CG 3.89Å; Y85-Q214 HydrophobicContact CE1-CB 3.9Å; Y85-Q214 HydrophobicContact CE2-CB 3.62Å; Y85-Q214 HydrophobicContact CE2-CG 3.51Å; Y85-Q214 WeakPolarHBondContact OH-CB 3.47Å; L94-Q214 PolarHBondContact O-NE2 2.79Å; E96-Q214 VanDerWaalsContact CB-OE1 3.3Å; L145-Q214 HydrophobicContact CB-CG 4.18Å; L145-Q214 HydrophobicContact CD1-CG 3.38Å; L145-Q214 HydrophobicContact CG-CG 4.12Å; L145-Q214 PolarHBondContact N-O 3.41Å |
| 215 | L | 93.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | B | Isolated β-bridge | trans | -110.9 | 162.3 | 177.8 | -51.8 | 164.5 | 0 | 0 | 0 | 111.5 | R95 Y140 L143 W229 E230 | R95-L215 HydrophobicContact CB-CB 4Å; R95-L215 WeakPolarHBondContact O-CB 3.5Å; R95-L215 PolarHBondContact O-N 3.12Å; R95-L215 VanDerWaalsContact O-N 3.13Å; Y140-L215 HydrophobicContact CD2-CD2 3.76Å; Y140-L215 HydrophobicContact CE2-CD2 3.8Å; L143-L215 HydrophobicContact CB-CD2 4.05Å; L143-L215 CarbonylContact O-C 3.48Å; L143-L215 VanDerWaalsContact O-CA 3.26Å; L143-L215 WeakPolarHBondContact O-CA 3.41Å; L215-W229 HydrophobicContact CD1-CD2 4.23Å; L215-W229 HydrophobicContact CD1-CE3 3.46Å; L215-W229 VanDerWaalsContact CD1-CE3 3.46Å; L215-W229 HydrophobicContact CD1-CZ3 3.99Å; L215-W229 HydrophobicContact CD2-CD2 4.26Å; L215-W229 HydrophobicContact CD2-CE3 3.96Å; L215-W229 HydrophobicContact CD2-CZ3 4.13Å; L215-W229 HydrophobicContact CG-CE3 4.24Å; L215-W229 HydrophobicContact CG-CZ3 4.44Å; L215-E230 HydrophobicContact CD1-CG 3.88Å |
| 216 | Q | 90.9 | Very high | 91.4 | Very high | 15 Ų | 15 | 35.3 Ų | 35.3 | 7% | 0.07 | 17% | 0.17 | C | C | . | . | trans | -67.8 | 130.8 | 173.2 | -66.2 | -177.9 | -2.5 | 0 | 0 | 110.6 | D82 L143 C144 L145 N222 S226 | D82-Q216 PolarHBondContact OD1-NE2 3.5Å; D82-Q216 VanDerWaalsContact OD1-NE2 3.15Å; D82-Q216 PolarHBondContact OD2-NE2 2.86Å; L143-Q216 WeakPolarHBondContact O-CG 3.32Å; L143-Q216 PolarHBondContact O-N 3.22Å; C144-Q216 VanDerWaalsContact O-CG 3.28Å; C144-Q216 WeakPolarHBondContact O-CG 3.22Å; C144-Q216 PolarHBondContact O-NE2 2.95Å; C144-Q216 VanDerWaalsContact O-NE2 3.17Å; L145-Q216 HydrophobicContact CD2-CG 3.97Å; L145-Q216 HydrophobicContact CG-CG 4.33Å; Q216-N222 HydrophobicContact CB-CB 4.46Å; Q216-N222 PolarHBondContact OE1-ND2 2.92Å; Q216-S226 VanDerWaalsContact O-CB 3.29Å; Q216-S226 WeakPolarHBondContact O-CB 3.48Å; Q216-S226 PolarHBondContact O-OG 3.2Å | ||
| 217 | F | 88.1 | Confident | 91.6 | Very high | 46 Ų | 46 | 35.6 Ų | 35.6 | 20% | 0.202 | 17% | 0.172 | C | C | . | . | trans | -113.1 | 1.7 | 175.3 | 57 | -94 | 0 | 0 | 0 | 112.8 | L80 L94 R95 L145 S223 | L80-F217 HydrophobicContact CB-CE1 4.41Å; L80-F217 HydrophobicContact CB-CZ 4Å; L80-F217 HydrophobicContact CD2-CE1 3.6Å; L80-F217 HydrophobicContact CD2-CZ 4.02Å; L80-F217 HydrophobicContact CG-CE1 3.81Å; L80-F217 HydrophobicContact CG-CZ 3.89Å; L80-F217 VanDerWaalsContact O-CZ 3.26Å; L80-F217 WeakPolarHBondContact O-CZ 3.45Å; L94-F217 HydrophobicContact CB-CG 4.48Å; R95-F217 HydrophobicContact CB-CB 4.32Å; R95-F217 HydrophobicContact CG-CB 3.62Å; L145-F217 HydrophobicContact CD1-CD1 4.29Å; L145-F217 HydrophobicContact CD1-CE1 3.87Å; F217-S223 VanDerWaalsContact O-CB 3.25Å; F217-S223 WeakPolarHBondContact O-CB 3.44Å; F217-S223 PolarHBondContact O-OG 3.37Å | ||
| 218 | Y | 85.6 | Confident | 91.7 | Very high | 174 Ų | 174 | 36.7 Ų | 36.7 | 68% | 0.682 | 18% | 0.179 | S | C | * | . | trans | -139.5 | 142.5 | 176.5 | -177.2 | -93 | 0 | 0 | 0 | 110 | ||||
| 219 | P | 88 | Confident | 91.8 | Very high | 61 Ų | 61 | 36.7 Ų | 36.7 | 40% | 0.396 | 18% | 0.179 | S | C | . | . | S | Bend | cis | -68.7 | 173.5 | -8.5 | 30.9 | -36.7 | 0 | 0 | 0 | 112.4 | N221 N222 S223 | P219-N221 PolarHBondContact O-N 3.42Å; P219-N221 VanDerWaalsContact O-N 3.08Å; P219-N222 WeakPolarHBondContact O-CA 3.29Å; P219-N222 WeakPolarHBondContact O-CB 3.23Å; P219-N222 PolarHBondContact O-N 3.28Å; P219-S223 PolarHBondContact O-N 3.31Å |
| 220 | D | 85.4 | Confident | 91.9 | Very high | 120 Ų | 120 | 36.7 Ų | 36.7 | 64% | 0.642 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -54.1 | -35.3 | -174.4 | -61.5 | -35.7 | 0 | 0 | 0 | 114.1 | N222 S223 Y224 | D220-N222 VanDerWaalsContact C-N 3.32Å; D220-N222 PolarHBondContact O-N 3.09Å; D220-S223 WeakPolarHBondContact O-CB 3Å; D220-S223 PolarHBondContact O-N 2.69Å; D220-Y224 WeakPolarHBondContact O-CB 3.42Å; D220-Y224 PolarHBondContact O-N 3Å |
| 221 | N | 89.6 | Confident | 92 | Very high | 66 Ų | 66 | 39.4 Ų | 39.4 | 35% | 0.353 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.9 | -38.9 | 176.1 | -175.3 | 50.2 | 0 | 0 | 0 | 111.9 | Y133 P219 V225 | Y133-N221 WeakPolarHBondContact CE1-OD1 3.45Å; P219-N221 PolarHBondContact O-N 3.42Å; P219-N221 VanDerWaalsContact O-N 3.08Å; N221-V225 WeakPolarHBondContact O-CG2 3.38Å; N221-V225 PolarHBondContact O-N 2.86Å |
| 222 | N | 89.9 | Confident | 92.1 | Very high | 39 Ų | 39 | 42.9 Ų | 42.9 | 21% | 0.209 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -72 | -40.9 | 174.4 | -72.2 | 12.5 | 0 | 0 | 0 | 110.2 | Q216 P219 D220 Y224 V225 S226 | Q216-N222 HydrophobicContact CB-CB 4.46Å; Q216-N222 PolarHBondContact OE1-ND2 2.92Å; P219-N222 WeakPolarHBondContact O-CA 3.29Å; P219-N222 WeakPolarHBondContact O-CB 3.23Å; P219-N222 PolarHBondContact O-N 3.28Å; D220-N222 VanDerWaalsContact C-N 3.32Å; D220-N222 PolarHBondContact O-N 3.09Å; N222-Y224 VanDerWaalsContact C-N 3.27Å; N222-Y224 PolarHBondContact O-N 3.32Å; N222-V225 PolarHBondContact O-N 3.49Å; N222-V225 VanDerWaalsContact O-N 3.17Å; N222-S226 WeakPolarHBondContact O-CB 3.36Å; N222-S226 PolarHBondContact O-N 3.07Å; N222-S226 PolarHBondContact O-OG 2.77Å |
| 223 | S | 91.3 | Very high | 92.3 | Very high | 19 Ų | 19 | 41.8 Ų | 41.8 | 13% | 0.133 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.1 | -42.7 | 174.3 | -164.8 | 0 | 0 | 0 | 0 | 112.6 | R95 F217 P219 D220 S226 G227 | R95-S223 VanDerWaalsContact CZ-O 3.25Å; R95-S223 PolarHBondContact NE-O 3.06Å; R95-S223 VanDerWaalsContact NE-O 3.11Å; R95-S223 PolarHBondContact NE-OG 3.03Å; R95-S223 PolarHBondContact NH2-O 3.44Å; R95-S223 PolarHBondContact NH2-OG 3.45Å; F217-S223 VanDerWaalsContact O-CB 3.25Å; F217-S223 WeakPolarHBondContact O-CB 3.44Å; F217-S223 PolarHBondContact O-OG 3.37Å; P219-S223 PolarHBondContact O-N 3.31Å; D220-S223 WeakPolarHBondContact O-CB 3Å; D220-S223 PolarHBondContact O-N 2.69Å; S223-S226 PolarHBondContact O-N 3.24Å; S223-G227 PolarHBondContact O-N 3.31Å |
| 224 | Y | 92.6 | Very high | 92.4 | Very high | 130 Ų | 130 | 43.5 Ų | 43.5 | 51% | 0.51 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.7 | -46.1 | 177.9 | -178.3 | -99 | 0 | 0 | 0 | 111.9 | Y133 D220 N222 G227 L228 | Y133-Y224 HydrophobicContact CD2-CE1 4.26Å; Y133-Y224 HydrophobicContact CE2-CD1 4.05Å; Y133-Y224 AromaticContact CE2-CE1 3.74Å; Y133-Y224 HydrophobicContact CE2-CE1 3.74Å; D220-Y224 WeakPolarHBondContact O-CB 3.42Å; D220-Y224 PolarHBondContact O-N 3Å; N222-Y224 VanDerWaalsContact C-N 3.27Å; N222-Y224 PolarHBondContact O-N 3.32Å; Y224-G227 PolarHBondContact O-N 2.93Å; Y224-L228 HydrophobicContact CD1-CD1 4.22Å; Y224-L228 HydrophobicContact CE1-CD1 3.75Å; Y224-L228 HydrophobicContact CE1-CG 4.27Å; Y224-L228 PolarHBondContact O-N 3.12Å; Y224-L228 VanDerWaalsContact O-N 3.07Å |
| 225 | V | 94.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.3 | -39.1 | 177.9 | -179 | 0 | 0 | 0 | 0 | 111.4 | Y133 Y138 L143 N221 N222 G227 L228 W229 | Y133-V225 HydrophobicContact CD1-CG2 3.33Å; Y133-V225 HydrophobicContact CE1-CG2 3.77Å; Y133-V225 HydrophobicContact CG-CG2 3.79Å; Y138-V225 HydrophobicContact CD1-CG1 4.32Å; Y138-V225 HydrophobicContact CD2-CG1 3.75Å; Y138-V225 HydrophobicContact CE2-CG1 4.28Å; Y138-V225 HydrophobicContact CG-CG1 3.78Å; L143-V225 HydrophobicContact CD1-CG1 3.99Å; L143-V225 HydrophobicContact CD2-CB 4.23Å; L143-V225 HydrophobicContact CD2-CG1 3.86Å; N221-V225 WeakPolarHBondContact O-CG2 3.38Å; N221-V225 PolarHBondContact O-N 2.86Å; N222-V225 PolarHBondContact O-N 3.49Å; N222-V225 VanDerWaalsContact O-N 3.17Å; V225-G227 VanDerWaalsContact C-N 3.31Å; V225-G227 PolarHBondContact O-N 3.09Å; V225-L228 WeakPolarHBondContact O-CB 3.47Å; V225-L228 PolarHBondContact O-N 3.39Å; V225-L228 VanDerWaalsContact O-N 3.15Å; V225-W229 PolarHBondContact O-N 3.35Å |
| 226 | S | 94.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.2 | -44.1 | 171.7 | -64.4 | 0 | 0 | 0 | 0 | 111 | Q216 N222 S223 L228 W229 E230 | Q216-S226 VanDerWaalsContact O-CB 3.29Å; Q216-S226 WeakPolarHBondContact O-CB 3.48Å; Q216-S226 PolarHBondContact O-OG 3.2Å; N222-S226 WeakPolarHBondContact O-CB 3.36Å; N222-S226 PolarHBondContact O-N 3.07Å; N222-S226 PolarHBondContact O-OG 2.77Å; S223-S226 PolarHBondContact O-N 3.24Å; S226-L228 VanDerWaalsContact C-N 3.32Å; S226-L228 PolarHBondContact O-N 2.75Å; S226-W229 CarbonylContact O-C 3.54Å; S226-W229 WeakPolarHBondContact O-CA 3.33Å; S226-W229 WeakPolarHBondContact O-CB 3.31Å; S226-W229 PolarHBondContact O-N 3.32Å; S226-E230 WeakPolarHBondContact O-CG 3.39Å; S226-E230 PolarHBondContact O-N 2.97Å |
| 227 | G | 94.2 | Very high | 92.9 | Very high | 5 Ų | 5 | 49.2 Ų | 49.2 | 5% | 0.052 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.6 | -38.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.7 | S223 Y224 V225 W229 E230 K231 | S223-G227 PolarHBondContact O-N 3.31Å; Y224-G227 PolarHBondContact O-N 2.93Å; V225-G227 VanDerWaalsContact C-N 3.31Å; V225-G227 PolarHBondContact O-N 3.09Å; G227-W229 VanDerWaalsContact C-N 3.3Å; G227-W229 PolarHBondContact O-N 3.29Å; G227-E230 PolarHBondContact O-N 2.8Å; G227-K231 PolarHBondContact O-N 2.81Å |
| 228 | L | 94.9 | Very high | 93.2 | Very high | 54 Ų | 54 | 51.3 Ų | 51.3 | 28% | 0.283 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -64.4 | -37 | 171.5 | -65.8 | 174.8 | 0 | 0 | 0 | 111.8 | V131 Y133 Y224 V225 S226 K231 E232 | V131-L228 HydrophobicContact CG1-CB 3.78Å; V131-L228 HydrophobicContact CG1-CD1 4.23Å; Y133-L228 HydrophobicContact CD2-CD1 4.3Å; Y224-L228 HydrophobicContact CD1-CD1 4.22Å; Y224-L228 HydrophobicContact CE1-CD1 3.75Å; Y224-L228 HydrophobicContact CE1-CG 4.27Å; Y224-L228 PolarHBondContact O-N 3.12Å; Y224-L228 VanDerWaalsContact O-N 3.07Å; V225-L228 WeakPolarHBondContact O-CB 3.47Å; V225-L228 PolarHBondContact O-N 3.39Å; V225-L228 VanDerWaalsContact O-N 3.15Å; S226-L228 VanDerWaalsContact C-N 3.32Å; S226-L228 PolarHBondContact O-N 2.75Å; L228-K231 PolarHBondContact O-N 3.14Å; L228-E232 PolarHBondContact O-N 2.89Å; L228-E232 VanDerWaalsContact O-N 3.14Å |
| 229 | W | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.6 | -38.8 | 177 | -169.8 | 99.1 | 0 | 0 | 0 | 112.1 | C97 I125 I129 V131 Y140 L143 L215 V225 S226 G227 K231 E232 F233 | C97-W229 HydrophobicContact CB-CZ3 4.23Å; I125-W229 HydrophobicContact CG2-CH2 4.03Å; I125-W229 HydrophobicContact CG2-CZ2 4.24Å; I129-W229 HydrophobicContact CB-CZ2 4.23Å; I129-W229 HydrophobicContact CG2-CD2 4.46Å; I129-W229 HydrophobicContact CG2-CZ2 4.09Å; I129-W229 PolarHBondContact O-NE1 3.28Å; V131-W229 VanDerWaalsContact CG2-CA 3.5Å; V131-W229 HydrophobicContact CG2-CB 3.89Å; V131-W229 HydrophobicContact CG2-CG 4.29Å; Y140-W229 AromaticContact CD2-CH2 3.92Å; Y140-W229 HydrophobicContact CD2-CH2 3.92Å; Y140-W229 AromaticContact CD2-CZ2 3.87Å; Y140-W229 HydrophobicContact CD2-CZ2 3.87Å; Y140-W229 HydrophobicContact CG-CZ2 4.3Å; L143-W229 HydrophobicContact CD1-CB 3.8Å; L143-W229 HydrophobicContact CD1-CG 4.04Å; L215-W229 HydrophobicContact CD1-CD2 4.23Å; L215-W229 HydrophobicContact CD1-CE3 3.46Å; L215-W229 VanDerWaalsContact CD1-CE3 3.46Å; L215-W229 HydrophobicContact CD1-CZ3 3.99Å; L215-W229 HydrophobicContact CD2-CD2 4.26Å; L215-W229 HydrophobicContact CD2-CE3 3.96Å; L215-W229 HydrophobicContact CD2-CZ3 4.13Å; L215-W229 HydrophobicContact CG-CE3 4.24Å; L215-W229 HydrophobicContact CG-CZ3 4.44Å; V225-W229 PolarHBondContact O-N 3.35Å; S226-W229 CarbonylContact O-C 3.54Å; S226-W229 WeakPolarHBondContact O-CA 3.33Å; S226-W229 WeakPolarHBondContact O-CB 3.31Å; S226-W229 PolarHBondContact O-N 3.32Å; G227-W229 VanDerWaalsContact C-N 3.3Å; G227-W229 PolarHBondContact O-N 3.29Å; W229-K231 VanDerWaalsContact C-N 3.29Å; W229-K231 PolarHBondContact O-N 3.26Å; W229-E232 CarbonylContact O-C 3.56Å; W229-E232 PolarHBondContact O-N 3.15Å; W229-F233 HydrophobicContact CD2-CB 4.46Å; W229-F233 HydrophobicContact CE3-CB 3.83Å; W229-F233 HydrophobicContact CE3-CG 4.48Å; W229-F233 HydrophobicContact CH2-CB 4.08Å; W229-F233 AromaticContact CH2-CD2 3.6Å; W229-F233 HydrophobicContact CH2-CD2 3.6Å; W229-F233 HydrophobicContact CH2-CE2 4.33Å; W229-F233 HydrophobicContact CH2-CG 4.1Å; W229-F233 HydrophobicContact CZ2-CD2 4.45Å; W229-F233 HydrophobicContact CZ3-CB 3.64Å; W229-F233 AromaticContact CZ3-CD2 3.79Å; W229-F233 HydrophobicContact CZ3-CD2 3.79Å; W229-F233 AromaticContact CZ3-CG 3.81Å; W229-F233 HydrophobicContact CZ3-CG 3.81Å; W229-F233 VanDerWaalsContact O-CB 3.28Å; W229-F233 WeakPolarHBondContact O-CB 3.47Å; W229-F233 PolarHBondContact O-N 2.89Å |
| 230 | E | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.6 | -43.2 | 173.8 | -63.1 | -177.7 | 110 | 0 | 0 | 111.6 | R95 L215 S226 G227 F233 Q234 H251 S252 | R95-E230 WeakPolarHBondContact CA-OE1 3.4Å; R95-E230 VanDerWaalsContact CD-OE2 3.24Å; R95-E230 WeakPolarHBondContact CD-OE2 3.18Å; R95-E230 IonicContact CZ-OE2 3.29Å; R95-E230 IonicContact NE-OE2 2.98Å; R95-E230 IonicContact NH1-OE2 3.24Å; R95-E230 PolarHBondContact NH1-OE2 2.92Å; L215-E230 HydrophobicContact CD1-CG 3.88Å; S226-E230 WeakPolarHBondContact O-CG 3.39Å; S226-E230 PolarHBondContact O-N 2.97Å; G227-E230 PolarHBondContact O-N 2.8Å; E230-F233 WeakPolarHBondContact O-CB 3.19Å; E230-F233 PolarHBondContact O-N 2.83Å; E230-Q234 PolarHBondContact O-N 2.8Å; E230-H251 HydrophobicContact CB-CB 4.14Å; E230-H251 HydrophobicContact CG-CB 4.43Å; E230-S252 VanDerWaalsContact CD-OG 3.29Å; E230-S252 WeakPolarHBondContact OE1-CB 3.48Å; E230-S252 PolarHBondContact OE1-N 3.26Å; E230-S252 PolarHBondContact OE1-OG 2.88Å; E230-S252 PolarHBondContact OE2-OG 3.3Å |
| 231 | K | 95.2 | Very high | 94.1 | Very high | 74 Ų | 74 | 54 Ų | 54 | 32% | 0.322 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67.8 | -38.3 | 178 | -65.7 | -168.5 | 176.4 | -157.9 | 0 | 112.5 | G227 L228 W229 K235 D257 | G227-K231 PolarHBondContact O-N 2.81Å; L228-K231 PolarHBondContact O-N 3.14Å; W229-K231 VanDerWaalsContact C-N 3.29Å; W229-K231 PolarHBondContact O-N 3.26Å; K231-K235 VanDerWaalsContact O-CG 3.3Å; K231-K235 WeakPolarHBondContact O-CG 3.28Å; K231-K235 PolarHBondContact O-N 3.39Å; K231-K235 VanDerWaalsContact O-N 3.13Å; K231-D257 WeakPolarHBondContact CE-OD2 3.4Å; K231-D257 IonicContact NZ-OD1 3.12Å; K231-D257 PolarHBondContact NZ-OD1 3.1Å; K231-D257 IonicContact NZ-OD2 2.93Å; K231-D257 PolarHBondContact NZ-OD2 2.91Å |
| 232 | E | 95.4 | Very high | 94.1 | Very high | 72 Ų | 72 | 51.2 Ų | 51.2 | 34% | 0.336 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -72 | -33.8 | 173.2 | -70.7 | -53.7 | 127.1 | 0 | 0 | 112.4 | I129 V131 L228 W229 K235 A236 | I129-E232 HydrophobicContact CG2-CB 4.3Å; V131-E232 HydrophobicContact CG2-CB 4.08Å; V131-E232 HydrophobicContact CG2-CG 3.86Å; L228-E232 PolarHBondContact O-N 2.89Å; L228-E232 VanDerWaalsContact O-N 3.14Å; W229-E232 CarbonylContact O-C 3.56Å; W229-E232 PolarHBondContact O-N 3.15Å; E232-K235 PolarHBondContact O-N 2.83Å; E232-K235 IonicContact OE1-NZ 2.69Å; E232-K235 PolarHBondContact OE1-NZ 2.83Å; E232-A236 WeakPolarHBondContact O-CB 3.39Å; E232-A236 PolarHBondContact O-N 3.33Å |
| 233 | F | 97 | Very high | 94.1 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.4 | -48.5 | 172.6 | 168.2 | -97.5 | 0 | 0 | 0 | 111.3 | C97 I125 I129 Y213 W229 E230 A236 L237 V249 | C97-F233 HydrophobicContact CB-CD1 3.9Å; C97-F233 HydrophobicContact CB-CE1 3.61Å; C97-F233 HydrophobicContact CB-CE2 4.38Å; C97-F233 HydrophobicContact CB-CG 4.39Å; C97-F233 HydrophobicContact CB-CZ 3.88Å; I125-F233 HydrophobicContact CD1-CE2 4.13Å; I125-F233 HydrophobicContact CG1-CE2 4.29Å; I125-F233 HydrophobicContact CG2-CD2 4.01Å; I125-F233 HydrophobicContact CG2-CE2 3.88Å; I129-F233 HydrophobicContact CD1-CD2 3.99Å; Y213-F233 AromaticContact CD2-CE2 3.98Å; Y213-F233 HydrophobicContact CD2-CE2 3.98Å; Y213-F233 HydrophobicContact CD2-CZ 4.24Å; Y213-F233 HydrophobicContact CE2-CE2 4.25Å; W229-F233 HydrophobicContact CD2-CB 4.46Å; W229-F233 HydrophobicContact CE3-CB 3.83Å; W229-F233 HydrophobicContact CE3-CG 4.48Å; W229-F233 HydrophobicContact CH2-CB 4.08Å; W229-F233 AromaticContact CH2-CD2 3.6Å; W229-F233 HydrophobicContact CH2-CD2 3.6Å; W229-F233 HydrophobicContact CH2-CE2 4.33Å; W229-F233 HydrophobicContact CH2-CG 4.1Å; W229-F233 HydrophobicContact CZ2-CD2 4.45Å; W229-F233 HydrophobicContact CZ3-CB 3.64Å; W229-F233 AromaticContact CZ3-CD2 3.79Å; W229-F233 HydrophobicContact CZ3-CD2 3.79Å; W229-F233 AromaticContact CZ3-CG 3.81Å; W229-F233 HydrophobicContact CZ3-CG 3.81Å; W229-F233 VanDerWaalsContact O-CB 3.28Å; W229-F233 WeakPolarHBondContact O-CB 3.47Å; W229-F233 PolarHBondContact O-N 2.89Å; E230-F233 WeakPolarHBondContact O-CB 3.19Å; E230-F233 PolarHBondContact O-N 2.83Å; F233-A236 PolarHBondContact O-N 3.04Å; F233-L237 HydrophobicContact CD1-CD1 4.39Å; F233-L237 HydrophobicContact CD2-CD1 3.99Å; F233-L237 HydrophobicContact CD2-CG 4.39Å; F233-L237 HydrophobicContact CE1-CD1 3.83Å; F233-L237 HydrophobicContact CE2-CD1 3.36Å; F233-L237 HydrophobicContact CE2-CG 4.18Å; F233-L237 HydrophobicContact CG-CD1 4.47Å; F233-L237 HydrophobicContact CZ-CD1 3.27Å; F233-L237 HydrophobicContact CZ-CG 4.44Å; F233-L237 WeakPolarHBondContact O-CB 3.46Å; F233-L237 WeakPolarHBondContact O-CG 3.27Å; F233-L237 PolarHBondContact O-N 3.25Å; F233-V249 HydrophobicContact CD1-CG1 4.03Å; F233-V249 HydrophobicContact CE1-CG1 3.61Å; F233-V249 HydrophobicContact CZ-CG1 4.49Å |
| 234 | Q | 95.3 | Very high | 94.1 | Very high | 37 Ų | 37 | 56 Ų | 56 | 17% | 0.173 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56 | -54.1 | 173.4 | -176.4 | -160.7 | -27.4 | 0 | 0 | 111.4 | E230 A236 L237 L238 H251 Y557 | E230-Q234 PolarHBondContact O-N 2.8Å; Q234-A236 VanDerWaalsContact C-N 3.34Å; Q234-A236 PolarHBondContact O-N 2.97Å; Q234-L237 PolarHBondContact O-N 2.85Å; Q234-L238 HydrophobicContact CG-CD1 3.85Å; Q234-L238 HydrophobicContact CG-CG 4.44Å; Q234-L238 WeakPolarHBondContact O-CB 3.32Å; Q234-L238 VanDerWaalsContact O-CG 3.26Å; Q234-L238 WeakPolarHBondContact O-CG 3.33Å; Q234-L238 PolarHBondContact O-N 3.48Å; Q234-H251 PolarHBondContact OE1-NE2 3.23Å; Q234-H251 VanDerWaalsContact OE1-NE2 3.14Å; Q234-Y557 VanDerWaalsContact CD-CZ 3.43Å; Q234-Y557 HydrophobicContact CG-CD2 4.36Å; Q234-Y557 HydrophobicContact CG-CE1 4.27Å; Q234-Y557 HydrophobicContact CG-CE2 3.95Å; Q234-Y557 PolarHBondContact OE1-OH 3.35Å |
| 235 | K | 95.5 | Very high | 94.1 | Very high | 106 Ų | 106 | 50 Ų | 50 | 46% | 0.461 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.2 | -40.9 | -178.9 | -69.9 | 172.3 | -163.1 | 167.5 | 0 | 112.7 | K231 E232 N239 | K231-K235 VanDerWaalsContact O-CG 3.3Å; K231-K235 WeakPolarHBondContact O-CG 3.28Å; K231-K235 PolarHBondContact O-N 3.39Å; K231-K235 VanDerWaalsContact O-N 3.13Å; E232-K235 PolarHBondContact O-N 2.83Å; E232-K235 IonicContact OE1-NZ 2.69Å; E232-K235 PolarHBondContact OE1-NZ 2.83Å; K235-N239 WeakPolarHBondContact O-CB 3.47Å; K235-N239 PolarHBondContact O-N 3.42Å; K235-N239 PolarHBondContact O-ND2 3.23Å |
| 236 | A | 96.1 | Very high | 94.1 | Very high | 24 Ų | 24 | 53.9 Ų | 53.9 | 20% | 0.198 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.5 | -44.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | F124 I129 E232 F233 Q234 N239 Y240 | F124-A236 HydrophobicContact CE1-CB 4.34Å; I129-A236 HydrophobicContact CD1-CB 3.75Å; I129-A236 HydrophobicContact CG1-CB 3.87Å; E232-A236 WeakPolarHBondContact O-CB 3.39Å; E232-A236 PolarHBondContact O-N 3.33Å; F233-A236 PolarHBondContact O-N 3.04Å; Q234-A236 VanDerWaalsContact C-N 3.34Å; Q234-A236 PolarHBondContact O-N 2.97Å; A236-N239 PolarHBondContact O-N 3.16Å; A236-Y240 WeakPolarHBondContact O-CB 3.39Å; A236-Y240 PolarHBondContact O-N 2.97Å |
| 237 | L | 95.3 | Very high | 94.1 | Very high | 5 Ų | 5 | 55.4 Ų | 55.4 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -73.1 | -37.2 | -179.1 | -73 | -172.7 | 0 | 0 | 0 | 113.6 | L121 I125 F233 Q234 N239 Y240 V249 | L121-L237 HydrophobicContact CD1-CD2 3.74Å; I125-L237 HydrophobicContact CD1-CD1 4.3Å; I125-L237 HydrophobicContact CD1-CD2 3.99Å; I125-L237 HydrophobicContact CG1-CD2 3.9Å; F233-L237 HydrophobicContact CD1-CD1 4.39Å; F233-L237 HydrophobicContact CD2-CD1 3.99Å; F233-L237 HydrophobicContact CD2-CG 4.39Å; F233-L237 HydrophobicContact CE1-CD1 3.83Å; F233-L237 HydrophobicContact CE2-CD1 3.36Å; F233-L237 HydrophobicContact CE2-CG 4.18Å; F233-L237 HydrophobicContact CG-CD1 4.47Å; F233-L237 HydrophobicContact CZ-CD1 3.27Å; F233-L237 HydrophobicContact CZ-CG 4.44Å; F233-L237 WeakPolarHBondContact O-CB 3.46Å; F233-L237 WeakPolarHBondContact O-CG 3.27Å; F233-L237 PolarHBondContact O-N 3.25Å; Q234-L237 PolarHBondContact O-N 2.85Å; L237-N239 PolarHBondContact O-N 2.81Å; L237-Y240 PolarHBondContact O-N 2.73Å; L237-Y240 VanDerWaalsContact O-N 3.14Å; L237-V249 HydrophobicContact CB-CG2 3.47Å; L237-V249 VanDerWaalsContact CB-CG2 3.47Å; L237-V249 HydrophobicContact CD1-CG1 4.33Å; L237-V249 HydrophobicContact CD1-CG2 3.71Å; L237-V249 HydrophobicContact CG-CG2 4.26Å |
| 238 | L | 93.7 | Very high | 94.1 | Very high | 91 Ų | 91 | 55.8 Ų | 55.8 | 48% | 0.476 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.6 | -28.8 | 174.1 | -68.1 | 176.5 | 0 | 0 | 0 | 112.6 | Q234 Y557 | Q234-L238 HydrophobicContact CG-CD1 3.85Å; Q234-L238 HydrophobicContact CG-CG 4.44Å; Q234-L238 WeakPolarHBondContact O-CB 3.32Å; Q234-L238 VanDerWaalsContact O-CG 3.26Å; Q234-L238 WeakPolarHBondContact O-CG 3.33Å; Q234-L238 PolarHBondContact O-N 3.48Å; L238-Y557 HydrophobicContact CD1-CG 4.25Å; L238-Y557 HydrophobicContact CD2-CG 4.44Å |
| 239 | N | 94.4 | Very high | 94.1 | Very high | 129 Ų | 129 | 53.3 Ų | 53.3 | 69% | 0.69 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -89.5 | -14 | 176 | -71 | -43.3 | 0 | 0 | 0 | 113.6 | K235 A236 L237 R241 | K235-N239 WeakPolarHBondContact O-CB 3.47Å; K235-N239 PolarHBondContact O-N 3.42Å; K235-N239 PolarHBondContact O-ND2 3.23Å; A236-N239 PolarHBondContact O-N 3.16Å; L237-N239 PolarHBondContact O-N 2.81Å; N239-R241 PolarHBondContact O-N 3.33Å |
| 240 | Y | 93.6 | Very high | 94 | Very high | 47 Ų | 47 | 54.1 Ų | 54.1 | 18% | 0.184 | 26% | 0.264 | C | S | . | . | trans | -75.5 | 116.5 | -179 | -173.3 | -91 | 0 | 0 | 0 | 110 | L121 F124 A236 L237 D242 I247 | L121-Y240 HydrophobicContact CD1-CD1 3.74Å; L121-Y240 HydrophobicContact CD1-CE1 3.61Å; L121-Y240 HydrophobicContact CD1-CE2 4.5Å; L121-Y240 HydrophobicContact CD1-CG 4.23Å; F124-Y240 HydrophobicContact CB-CE2 4.34Å; F124-Y240 AromaticContact CD1-CD2 3.78Å; F124-Y240 HydrophobicContact CD1-CD2 3.78Å; F124-Y240 AromaticContact CD1-CE2 4Å; F124-Y240 HydrophobicContact CD1-CE2 4Å; F124-Y240 HydrophobicContact CD2-CD2 4.22Å; F124-Y240 HydrophobicContact CD2-CE2 4.02Å; F124-Y240 AromaticContact CE1-CD2 3.68Å; F124-Y240 HydrophobicContact CE1-CD2 3.68Å; F124-Y240 HydrophobicContact CE1-CE2 4.32Å; F124-Y240 HydrophobicContact CE1-CG 4.41Å; F124-Y240 HydrophobicContact CE2-CD2 4.15Å; F124-Y240 HydrophobicContact CE2-CE2 4.35Å; F124-Y240 HydrophobicContact CG-CD2 4.06Å; F124-Y240 AromaticContact CG-CE2 3.85Å; F124-Y240 HydrophobicContact CG-CE2 3.85Å; F124-Y240 AromaticContact CZ-CD2 3.88Å; F124-Y240 HydrophobicContact CZ-CD2 3.88Å; F124-Y240 HydrophobicContact CZ-CE2 4.49Å; A236-Y240 WeakPolarHBondContact O-CB 3.39Å; A236-Y240 PolarHBondContact O-N 2.97Å; L237-Y240 PolarHBondContact O-N 2.73Å; L237-Y240 VanDerWaalsContact O-N 3.14Å; Y240-D242 HydrophobicContact CD1-CB 4.46Å; Y240-D242 HydrophobicContact CE1-CB 3.88Å; Y240-I247 HydrophobicContact CD1-CD1 3.55Å; Y240-I247 HydrophobicContact CE1-CD1 3.95Å | ||
| 241 | R | 90.3 | Very high | 94 | Very high | 234 Ų | 234 | 54.5 Ų | 54.5 | 88% | 0.883 | 27% | 0.266 | S | S | * | . | trans | -109.3 | 115.1 | 178.9 | -65.6 | -176.1 | -178.3 | -177.4 | 0.5 | 110 | N239 | N239-R241 PolarHBondContact O-N 3.33Š| ||
| 242 | D | 90.4 | Very high | 93.8 | Very high | 9 Ų | 9 | 52.7 Ų | 52.7 | 5% | 0.048 | 26% | 0.262 | C | S | . | . | trans | -109.2 | 139.5 | 171.1 | -166 | -80.7 | 0 | 0 | 0 | 110.1 | K104 R120 Y240 M244 L245 | K104-D242 WeakPolarHBondContact CE-O 3.35Å; K104-D242 PolarHBondContact NZ-O 2.88Å; R120-D242 IonicContact CZ-OD2 3.5Å; R120-D242 IonicContact NE-OD2 3.23Å; R120-D242 IonicContact NH2-OD2 2.87Å; R120-D242 PolarHBondContact NH2-OD2 3.45Å; Y240-D242 HydrophobicContact CD1-CB 4.46Å; Y240-D242 HydrophobicContact CE1-CB 3.88Å; D242-M244 VanDerWaalsContact C-N 3.31Å; D242-M244 PolarHBondContact O-N 3.41Å; D242-M244 PolarHBondContact OD1-N 3.2Å; D242-L245 HydrophobicContact CB-CB 4.01Å; D242-L245 HydrophobicContact CB-CG 4.41Å; D242-L245 PolarHBondContact OD1-N 3.03Å; D242-L245 VanDerWaalsContact OD1-N 3.07Å | ||
| 243 | P | 89.7 | Confident | 93.5 | Very high | 104 Ų | 104 | 51.3 Ų | 51.3 | 68% | 0.675 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -68.5 | -27.5 | 178.5 | 26.6 | -34.1 | 0 | 0 | 0 | 113.4 | ||
| 244 | M | 90.8 | Very high | 93.2 | Very high | 55 Ų | 55 | 51.3 Ų | 51.3 | 27% | 0.271 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -105.4 | -31.8 | -171.7 | -67.1 | 175.6 | -80.5 | 0 | 0 | 113.5 | K104 D113 Y114 S117 D242 | K104-M244 WeakPolarHBondContact CB-O 3.47Å; K104-M244 WeakPolarHBondContact CG-O 3.4Å; K104-M244 PolarHBondContact N-O 2.88Å; D113-M244 HydrophobicContact CB-SD 4.47Å; Y114-M244 HydrophobicContact CD1-CB 4.3Å; Y114-M244 HydrophobicContact CE1-CB 4.04Å; S117-M244 WeakPolarHBondContact OG-CE 3.31Å; D242-M244 VanDerWaalsContact C-N 3.31Å; D242-M244 PolarHBondContact O-N 3.41Å; D242-M244 PolarHBondContact OD1-N 3.2Å |
| 245 | L | 93.5 | Very high | 92.9 | Very high | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 135.7 | -171.8 | -55.1 | 178.7 | 0 | 0 | 0 | 112.7 | V101 K104 I109 Y114 V118 D242 I247 | V101-L245 HydrophobicContact CG1-CB 3.85Å; V101-L245 HydrophobicContact CG1-CD1 3.94Å; V101-L245 HydrophobicContact CG1-CD2 3.74Å; V101-L245 HydrophobicContact CG1-CG 4.04Å; K104-L245 WeakPolarHBondContact CE-O 3.48Å; I109-L245 HydrophobicContact CD1-CD2 3.94Å; Y114-L245 HydrophobicContact CD1-CD2 4.05Å; V118-L245 HydrophobicContact CG2-CD1 4.24Å; V118-L245 HydrophobicContact CG2-CD2 4.06Å; D242-L245 HydrophobicContact CB-CB 4.01Å; D242-L245 HydrophobicContact CB-CG 4.41Å; D242-L245 PolarHBondContact OD1-N 3.03Å; D242-L245 VanDerWaalsContact OD1-N 3.07Å; L245-I247 HydrophobicContact CB-CG1 4.23Å |
| 246 | D | 93.2 | Very high | 92.5 | Very high | 82 Ų | 82 | 47.2 Ų | 47.2 | 44% | 0.439 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 124.3 | 163.6 | -168.7 | 30.3 | 0 | 0 | 0 | 108.9 | V101 S102 K104 | V101-D246 WeakPolarHBondContact CA-O 3.49Å; S102-D246 PolarHBondContact N-O 2.9Å; S102-D246 PolarHBondContact O-N 2.89Å; K104-D246 HydrophobicContact CG-CB 4.04Å |
| 247 | I | 95 | Very high | 92.2 | Very high | 31 Ų | 31 | 47.8 Ų | 47.8 | 16% | 0.159 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 129.7 | -168.2 | -58.2 | 166 | 0 | 0 | 0 | 108.4 | L121 Y240 L245 | L121-I247 HydrophobicContact CD1-CD1 3.9Å; L121-I247 HydrophobicContact CD2-CD1 3.67Å; L121-I247 HydrophobicContact CD2-CG1 3.99Å; L121-I247 HydrophobicContact CD2-CG2 4.47Å; L121-I247 HydrophobicContact CG-CD1 4.42Å; Y240-I247 HydrophobicContact CD1-CD1 3.55Å; Y240-I247 HydrophobicContact CE1-CD1 3.95Å; L245-I247 HydrophobicContact CB-CG1 4.23Å |
| 248 | T | 95 | Very high | 91.9 | Very high | 13 Ų | 13 | 47.9 Ų | 47.9 | 8% | 0.08 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 147 | 175.5 | 64.2 | 0 | 0 | 0 | 0 | 109.8 | S99 I100 P560 H561 | S99-T248 CarbonylContact C-O 3.52Å; S99-T248 VanDerWaalsContact CA-O 3.23Å; S99-T248 WeakPolarHBondContact CA-O 3.32Å; I100-T248 WeakPolarHBondContact CB-OG1 3.18Å; I100-T248 PolarHBondContact N-O 3.4Å; I100-T248 VanDerWaalsContact N-O 3.07Å; I100-T248 PolarHBondContact O-N 3.14Å; I100-T248 PolarHBondContact O-OG1 3.49Å; I100-T248 VanDerWaalsContact O-OG1 3.11Å; T248-P560 HydrophobicContact CG2-CB 3.8Å; T248-H561 PolarHBondContact O-ND1 3.3Å; T248-H561 PolarHBondContact OG1-ND1 2.72Å |
| 249 | V | 95.2 | Very high | 91.6 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.012 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 138.8 | -167.9 | -175.4 | 0 | 0 | 0 | 0 | 110.5 | F233 L237 Y557 | F233-V249 HydrophobicContact CD1-CG1 4.03Å; F233-V249 HydrophobicContact CE1-CG1 3.61Å; F233-V249 HydrophobicContact CZ-CG1 4.49Å; L237-V249 HydrophobicContact CB-CG2 3.47Å; L237-V249 VanDerWaalsContact CB-CG2 3.47Å; L237-V249 HydrophobicContact CD1-CG1 4.33Å; L237-V249 HydrophobicContact CD1-CG2 3.71Å; L237-V249 HydrophobicContact CG-CG2 4.26Å; V249-Y557 HydrophobicContact CB-CD2 4.39Å |
| 250 | L | 94.5 | Very high | 91.3 | Very high | 18 Ų | 18 | 41.5 Ų | 41.5 | 9% | 0.094 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 141.7 | 170 | -175.9 | 74.4 | 0 | 0 | 0 | 108.8 | Q98 T254 A558 H561 Y562 | Q98-L250 HydrophobicContact CB-CB 4.44Å; Q98-L250 PolarHBondContact N-O 3.33Å; Q98-L250 PolarHBondContact O-N 3Å; Q98-L250 VanDerWaalsContact O-O 3.07Å; L250-T254 HydrophobicContact CD1-CG2 3.88Å; L250-A558 HydrophobicContact CD1-CB 4.2Å; L250-H561 HydrophobicContact CB-CB 4.41Å; L250-H561 VanDerWaalsContact CB-CD2 3.42Å; L250-H561 WeakPolarHBondContact CB-CD2 3.4Å; L250-H561 WeakPolarHBondContact CB-NE2 3.07Å; L250-Y562 HydrophobicContact CD1-CE2 3.93Å |
| 251 | H | 94.2 | Very high | 91 | Very high | 7 Ų | 7 | 41.9 Ų | 41.9 | 3% | 0.032 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 170.5 | 169.9 | 63.4 | 87.8 | 0 | 0 | 0 | 110.5 | E96 E230 Q234 Q253 T254 D257 Y557 | E96-H251 CarbonylContact O-C 3.57Å; E96-H251 WeakPolarHBondContact O-CA 3.39Å; E230-H251 HydrophobicContact CB-CB 4.14Å; E230-H251 HydrophobicContact CG-CB 4.43Å; Q234-H251 PolarHBondContact OE1-NE2 3.23Å; Q234-H251 VanDerWaalsContact OE1-NE2 3.14Å; H251-Q253 VanDerWaalsContact C-N 3.28Å; H251-Q253 PolarHBondContact ND1-N 3.02Å; H251-Q253 PolarHBondContact O-N 3.26Å; H251-T254 PolarHBondContact CD2-OG1 3.4Å; H251-T254 PolarHBondContact CE1-N 3.46Å; H251-T254 PolarHBondContact N-OG1 3.09Å; H251-T254 PolarHBondContact ND1-N 3.38Å; H251-T254 PolarHBondContact NE2-OG1 2.82Å; H251-T254 VanDerWaalsContact O-CB 3.31Å; H251-T254 WeakPolarHBondContact O-CB 3.38Å; H251-T254 PolarHBondContact O-N 3.38Å; H251-T254 VanDerWaalsContact O-N 3.09Å; H251-T254 PolarHBondContact O-OG1 3.39Å; H251-D257 IonicContact CE1-OD2 2.77Å; H251-Y557 PolarHBondContact CD2-OH 3.06Å; H251-Y557 PolarHBondContact NE2-OH 3.5Å |
| 252 | S | 90.9 | Very high | 90.7 | Very high | 36 Ų | 36 | 30.9 Ų | 30.9 | 25% | 0.252 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -36.5 | -171.4 | 71 | 0 | 0 | 0 | 0 | 114.2 | A93 R95 E96 E230 | A93-S252 WeakPolarHBondContact O-CB 3.27Å; R95-S252 WeakPolarHBondContact CA-OG 3.14Å; R95-S252 VanDerWaalsContact N-CB 3.31Å; R95-S252 PolarHBondContact N-OG 2.83Å; R95-S252 VanDerWaalsContact N-OG 3.1Å; E96-S252 PolarHBondContact O-N 3.49Å; E230-S252 VanDerWaalsContact CD-OG 3.29Å; E230-S252 WeakPolarHBondContact OE1-CB 3.48Å; E230-S252 PolarHBondContact OE1-N 3.26Å; E230-S252 PolarHBondContact OE1-OG 2.88Å; E230-S252 PolarHBondContact OE2-OG 3.3Å |
| 253 | Q | 89.6 | Confident | 90.4 | Very high | 44 Ų | 44 | 31.1 Ų | 31.1 | 21% | 0.206 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -2.9 | -179.7 | -48.8 | -170.3 | -54.5 | 0 | 0 | 114.6 | H251 L255 D256 D257 | H251-Q253 VanDerWaalsContact C-N 3.28Å; H251-Q253 PolarHBondContact ND1-N 3.02Å; H251-Q253 PolarHBondContact O-N 3.26Å; Q253-L255 VanDerWaalsContact C-N 3.31Å; Q253-L255 PolarHBondContact O-N 3.35Å; Q253-D256 PolarHBondContact O-N 3.33Å; Q253-D257 WeakPolarHBondContact O-CB 3.44Å; Q253-D257 PolarHBondContact O-N 3.02Å |
| 254 | T | 91.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.4 | -44.6 | -172.1 | -66.6 | 0 | 0 | 0 | 0 | 112.4 | L250 H251 E258 Y557 A558 | L250-T254 HydrophobicContact CD1-CG2 3.88Å; H251-T254 PolarHBondContact CD2-OG1 3.4Å; H251-T254 PolarHBondContact CE1-N 3.46Å; H251-T254 PolarHBondContact N-OG1 3.09Å; H251-T254 PolarHBondContact ND1-N 3.38Å; H251-T254 PolarHBondContact NE2-OG1 2.82Å; H251-T254 VanDerWaalsContact O-CB 3.31Å; H251-T254 WeakPolarHBondContact O-CB 3.38Å; H251-T254 PolarHBondContact O-N 3.38Å; H251-T254 VanDerWaalsContact O-N 3.09Å; H251-T254 PolarHBondContact O-OG1 3.39Å; T254-E258 HydrophobicContact CG2-CG 4.37Å; T254-E258 VanDerWaalsContact O-CB 3.31Å; T254-E258 WeakPolarHBondContact O-CB 3.41Å; T254-E258 WeakPolarHBondContact O-CG 3.19Å; T254-E258 PolarHBondContact O-N 3.01Å; T254-Y557 WeakPolarHBondContact CB-OH 3.43Å; T254-Y557 HydrophobicContact CG2-CE1 4.5Å; T254-Y557 HydrophobicContact CG2-CE2 4.01Å; T254-Y557 VanDerWaalsContact CG2-OH 3.25Å; T254-Y557 WeakPolarHBondContact CG2-OH 3.23Å; T254-Y557 PolarHBondContact OG1-OH 2.96Å; T254-A558 HydrophobicContact CG2-CB 3.42Å; T254-A558 VanDerWaalsContact CG2-CB 3.42Å |
| 255 | L | 88.5 | Confident | 90 | Very high | 15 Ų | 15 | 33 Ų | 33 | 8% | 0.079 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.3 | -38.5 | -177.8 | -171.6 | 56 | 0 | 0 | 0 | 111.7 | A56 Q253 L259 L551 L552 F721 | A56-L255 HydrophobicContact CB-CB 4.36Å; A56-L255 HydrophobicContact CB-CD2 3.28Å; A56-L255 HydrophobicContact CB-CG 3.5Å; Q253-L255 VanDerWaalsContact C-N 3.31Å; Q253-L255 PolarHBondContact O-N 3.35Å; L255-L259 VanDerWaalsContact O-CB 3.27Å; L255-L259 WeakPolarHBondContact O-CB 3.26Å; L255-L259 VanDerWaalsContact O-CG 3.26Å; L255-L259 WeakPolarHBondContact O-CG 3.35Å; L255-L259 PolarHBondContact O-N 2.94Å; L255-L551 HydrophobicContact CD1-CB 3.64Å; L255-L551 HydrophobicContact CD1-CD1 4.01Å; L255-L551 HydrophobicContact CD1-CG 4.49Å; L255-L551 HydrophobicContact CD2-CD1 4.14Å; L255-L551 HydrophobicContact CG-CD1 4.49Å; L255-L552 HydrophobicContact CD1-CD2 3.91Å; L255-F721 HydrophobicContact CD2-CZ 4.24Å |
| 256 | D | 87.9 | Confident | 89.7 | Confident | 41 Ų | 41 | 32.9 Ų | 32.9 | 22% | 0.219 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.9 | -42.8 | 179.2 | -58.2 | -17 | 0 | 0 | 0 | 111.5 | A56 Q253 L259 E260 | A56-D256 PolarHBondContact N-OD1 2.84Å; A56-D256 VanDerWaalsContact N-OD1 3.13Å; Q253-D256 PolarHBondContact O-N 3.33Å; D256-L259 WeakPolarHBondContact O-CB 3.46Å; D256-L259 PolarHBondContact O-N 3.31Å; D256-E260 PolarHBondContact O-N 3.43Å |
| 257 | D | 89.8 | Confident | 89.4 | Confident | 37 Ų | 37 | 33.7 Ų | 33.7 | 20% | 0.198 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.1 | -38.5 | 176.2 | -76.3 | -32.3 | 0 | 0 | 0 | 111 | K231 H251 Q253 E260 R261 | K231-D257 WeakPolarHBondContact CE-OD2 3.4Å; K231-D257 IonicContact NZ-OD1 3.12Å; K231-D257 PolarHBondContact NZ-OD1 3.1Å; K231-D257 IonicContact NZ-OD2 2.93Å; K231-D257 PolarHBondContact NZ-OD2 2.91Å; H251-D257 IonicContact CE1-OD2 2.77Å; Q253-D257 WeakPolarHBondContact O-CB 3.44Å; Q253-D257 PolarHBondContact O-N 3.02Å; D257-E260 PolarHBondContact O-N 3.14Å; D257-R261 WeakPolarHBondContact O-CB 3.28Å; D257-R261 PolarHBondContact O-N 3.27Å |
| 258 | E | 88.7 | Confident | 89.1 | Confident | 6 Ų | 6 | 36.5 Ų | 36.5 | 3% | 0.028 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -72.2 | -34.2 | 178.6 | -73.4 | -74.3 | 179.1 | 0 | 0 | 112.9 | T254 R261 N262 L552 V553 S556 | T254-E258 HydrophobicContact CG2-CG 4.37Å; T254-E258 VanDerWaalsContact O-CB 3.31Å; T254-E258 WeakPolarHBondContact O-CB 3.41Å; T254-E258 WeakPolarHBondContact O-CG 3.19Å; T254-E258 PolarHBondContact O-N 3.01Å; E258-R261 IonicContact OE1-CZ 3.99Å; E258-R261 IonicContact OE1-NE 3.56Å; E258-R261 IonicContact OE1-NH2 3.55Å; E258-R261 PolarHBondContact OE1-NH2 2.88Å; E258-R261 IonicContact OE2-CZ 2.73Å; E258-R261 VanDerWaalsContact OE2-CZ 3.23Å; E258-R261 IonicContact OE2-NE 3.18Å; E258-R261 PolarHBondContact OE2-NE 2.86Å; E258-R261 IonicContact OE2-NH2 3.12Å; E258-R261 PolarHBondContact OE2-NH2 3.15Å; E258-N262 PolarHBondContact O-N 2.98Å; E258-N262 PolarHBondContact O-ND2 3.13Å; E258-L552 HydrophobicContact CB-CD2 3.88Å; E258-L552 HydrophobicContact CG-CD2 3.87Å; E258-V553 WeakPolarHBondContact OE2-CG2 3.42Å; E258-S556 WeakPolarHBondContact OE1-CB 3.42Å; E258-S556 PolarHBondContact OE1-OG 3.44Å |
| 259 | L | 87.2 | Confident | 88.9 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.6 | -54.3 | 166.2 | -84.8 | 178.8 | 0 | 0 | 0 | 109.2 | A56 Y60 L255 D256 R261 N262 A263 Q332 L551 | A56-L259 HydrophobicContact CB-CD1 3.74Å; Y60-L259 HydrophobicContact CE2-CD1 3.94Å; Y60-L259 HydrophobicContact CE2-CD2 4.25Å; L255-L259 VanDerWaalsContact O-CB 3.27Å; L255-L259 WeakPolarHBondContact O-CB 3.26Å; L255-L259 VanDerWaalsContact O-CG 3.26Å; L255-L259 WeakPolarHBondContact O-CG 3.35Å; L255-L259 PolarHBondContact O-N 2.94Å; D256-L259 WeakPolarHBondContact O-CB 3.46Å; D256-L259 PolarHBondContact O-N 3.31Å; L259-R261 VanDerWaalsContact C-N 3.26Å; L259-R261 PolarHBondContact O-N 3.17Å; L259-N262 WeakPolarHBondContact O-CA 3.28Å; L259-N262 VanDerWaalsContact O-CB 3.28Å; L259-N262 WeakPolarHBondContact O-CB 3.43Å; L259-N262 PolarHBondContact O-N 3Å; L259-A263 PolarHBondContact O-N 2.84Å; L259-Q332 PolarHBondContact O-NE2 2.74Å; L259-Q332 PolarHBondContact O-OE1 3.23Å; L259-L551 HydrophobicContact CD2-CD2 4.5Å |
| 260 | E | 86.7 | Confident | 88.7 | Confident | 85 Ų | 85 | 41.6 Ų | 41.6 | 40% | 0.397 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -56.7 | -42 | -179.2 | -172.3 | 174.4 | 178.3 | 0 | 0 | 111.9 | D256 D257 N262 A263 E264 | D256-E260 PolarHBondContact O-N 3.43Å; D257-E260 PolarHBondContact O-N 3.14Å; E260-N262 VanDerWaalsContact C-N 3.29Å; E260-N262 PolarHBondContact O-N 2.79Å; E260-A263 WeakPolarHBondContact O-CB 3.41Å; E260-A263 PolarHBondContact O-N 2.98Å; E260-E264 PolarHBondContact O-N 2.77Å; E260-E264 VanDerWaalsContact O-N 3.1Å |
| 261 | R | 88.2 | Confident | 88.5 | Confident | 56 Ų | 56 | 44 Ų | 44 | 21% | 0.211 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.7 | -37.5 | 174.8 | -168.8 | 164.4 | 76.1 | 124.5 | -7.9 | 113.2 | D257 E258 L259 A263 E264 H265 V553 D555 | D257-R261 WeakPolarHBondContact O-CB 3.28Å; D257-R261 PolarHBondContact O-N 3.27Å; E258-R261 IonicContact OE1-CZ 3.99Å; E258-R261 IonicContact OE1-NE 3.56Å; E258-R261 IonicContact OE1-NH2 3.55Å; E258-R261 PolarHBondContact OE1-NH2 2.88Å; E258-R261 IonicContact OE2-CZ 2.73Å; E258-R261 VanDerWaalsContact OE2-CZ 3.23Å; E258-R261 IonicContact OE2-NE 3.18Å; E258-R261 PolarHBondContact OE2-NE 2.86Å; E258-R261 IonicContact OE2-NH2 3.12Å; E258-R261 PolarHBondContact OE2-NH2 3.15Å; L259-R261 VanDerWaalsContact C-N 3.26Å; L259-R261 PolarHBondContact O-N 3.17Å; R261-A263 VanDerWaalsContact C-N 3.33Å; R261-A263 PolarHBondContact O-N 3.13Å; R261-E264 PolarHBondContact O-N 3.34Å; R261-H265 PolarHBondContact O-CD2 2.77Å; R261-H265 PolarHBondContact O-N 2.96Å; R261-H265 VanDerWaalsContact O-N 3.11Å; R261-V553 HydrophobicContact CG-CG2 4.5Å; R261-D555 IonicContact CZ-OD1 2.86Å; R261-D555 IonicContact CZ-OD2 2.73Å; R261-D555 VanDerWaalsContact NH1-CG 3.31Å; R261-D555 IonicContact NH1-OD1 3.83Å; R261-D555 PolarHBondContact NH1-OD1 3.18Å; R261-D555 IonicContact NH1-OD2 2.75Å; R261-D555 PolarHBondContact NH1-OD2 2.87Å; R261-D555 IonicContact NH2-OD1 3.57Å; R261-D555 PolarHBondContact NH2-OD1 3.43Å |
| 262 | N | 85 | Confident | 88.5 | Confident | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.011 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.7 | -42.2 | 174.1 | -78.1 | -62.8 | 0 | 0 | 0 | 111.8 | E258 L259 E260 H265 L266 L551 V553 S850 M852 | E258-N262 PolarHBondContact O-N 2.98Å; E258-N262 PolarHBondContact O-ND2 3.13Å; L259-N262 WeakPolarHBondContact O-CA 3.28Å; L259-N262 VanDerWaalsContact O-CB 3.28Å; L259-N262 WeakPolarHBondContact O-CB 3.43Å; L259-N262 PolarHBondContact O-N 3Å; E260-N262 VanDerWaalsContact C-N 3.29Å; E260-N262 PolarHBondContact O-N 2.79Å; N262-H265 PolarHBondContact O-N 3.34Å; N262-L266 WeakPolarHBondContact O-CG 3.33Å; N262-L266 PolarHBondContact O-N 3.29Å; N262-L266 VanDerWaalsContact O-N 3.08Å; N262-L551 PolarHBondContact ND2-O 3.07Å; N262-V553 WeakPolarHBondContact OD1-CG2 3.09Å; N262-S850 WeakPolarHBondContact OD1-CB 3.48Å; N262-S850 PolarHBondContact OD1-OG 3.19Å; N262-M852 HydrophobicContact CB-CE 4.09Å |
| 263 | A | 83.7 | Confident | 88.6 | Confident | 15 Ų | 15 | 45.8 Ų | 45.8 | 12% | 0.124 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.5 | -39.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L259 E260 R261 H265 L266 T267 Q332 | L259-A263 PolarHBondContact O-N 2.84Å; E260-A263 WeakPolarHBondContact O-CB 3.41Å; E260-A263 PolarHBondContact O-N 2.98Å; R261-A263 VanDerWaalsContact C-N 3.33Å; R261-A263 PolarHBondContact O-N 3.13Å; A263-H265 VanDerWaalsContact C-N 3.3Å; A263-H265 PolarHBondContact O-N 3.34Å; A263-L266 PolarHBondContact O-N 3.14Å; A263-L266 VanDerWaalsContact O-N 3.14Å; A263-T267 PolarHBondContact O-N 3Å; A263-T267 PolarHBondContact O-OG1 2.85Å; A263-Q332 HydrophobicContact CB-CB 4.1Å; A263-Q332 HydrophobicContact CB-CG 3.85Å |
| 264 | E | 85.9 | Confident | 88.8 | Confident | 123 Ų | 123 | 45.2 Ų | 45.2 | 58% | 0.575 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -60 | -40.9 | 173.3 | -66.8 | -171.5 | 153 | 0 | 0 | 111.7 | E260 R261 L266 P268 | E260-E264 PolarHBondContact O-N 2.77Å; E260-E264 VanDerWaalsContact O-N 3.1Å; R261-E264 PolarHBondContact O-N 3.34Å; E264-L266 VanDerWaalsContact C-N 3.33Å; E264-L266 PolarHBondContact O-N 3.4Å; E264-P268 WeakPolarHBondContact O-CD 3.43Å |
| 265 | H | 86 | Confident | 88.9 | Confident | 74 Ų | 74 | 50.2 Ų | 50.2 | 34% | 0.343 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -68.9 | -28 | 176 | -74.1 | -56.1 | 0 | 0 | 0 | 113.6 | R261 N262 A263 R269 L848 | R261-H265 PolarHBondContact O-CD2 2.77Å; R261-H265 PolarHBondContact O-N 2.96Å; R261-H265 VanDerWaalsContact O-N 3.11Å; N262-H265 PolarHBondContact O-N 3.34Å; A263-H265 VanDerWaalsContact C-N 3.3Å; A263-H265 PolarHBondContact O-N 3.34Å; H265-R269 PolarHBondContact O-NH1 2.83Å; H265-L848 HydrophobicContact CB-CD2 3.91Å |
| 266 | L | 87.8 | Confident | 89.2 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.016 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -76.3 | -38.5 | 177 | -75.1 | 166.4 | 0 | 0 | 0 | 112.4 | N262 A263 E264 R269 F270 A335 V336 L845 L848 V853 | N262-L266 WeakPolarHBondContact O-CG 3.33Å; N262-L266 PolarHBondContact O-N 3.29Å; N262-L266 VanDerWaalsContact O-N 3.08Å; A263-L266 PolarHBondContact O-N 3.14Å; A263-L266 VanDerWaalsContact O-N 3.14Å; E264-L266 VanDerWaalsContact C-N 3.33Å; E264-L266 PolarHBondContact O-N 3.4Å; L266-R269 WeakPolarHBondContact O-CB 3.06Å; L266-R269 PolarHBondContact O-N 3.22Å; L266-R269 VanDerWaalsContact O-N 3.08Å; L266-F270 PolarHBondContact O-N 3.19Å; L266-A335 HydrophobicContact CD1-CB 4.31Å; L266-V336 HydrophobicContact CD1-CG2 3.76Å; L266-V336 HydrophobicContact CD2-CG2 4.38Å; L266-L845 HydrophobicContact CD2-CD2 3.63Å; L266-L848 HydrophobicContact CD2-CD1 3.53Å; L266-L848 HydrophobicContact CG-CD1 4.36Å; L266-V853 HydrophobicContact CD1-CG2 4.33Å; L266-V853 HydrophobicContact CD2-CG1 4.2Å; L266-V853 HydrophobicContact CD2-CG2 4.25Å |
| 267 | T | 87 | Confident | 89.6 | Confident | 99 Ų | 99 | 50 Ų | 50 | 61% | 0.607 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -51.7 | -52.4 | -174.5 | -60.3 | 0 | 0 | 0 | 0 | 114.8 | A263 R269 F270 | A263-T267 PolarHBondContact O-N 3Å; A263-T267 PolarHBondContact O-OG1 2.85Å; T267-R269 VanDerWaalsContact C-N 3.25Å; T267-R269 PolarHBondContact O-N 3Å; T267-F270 VanDerWaalsContact O-CB 3.31Å; T267-F270 WeakPolarHBondContact O-CB 3.21Å; T267-F270 PolarHBondContact O-N 3.23Å |
| 268 | P | 88.8 | Confident | 89.8 | Confident | 89 Ų | 89 | 50.1 Ų | 50.1 | 58% | 0.578 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -67.7 | -25.8 | -179.3 | 26.8 | -34.7 | 0 | 0 | 0 | 113 | E264 F270 | E264-P268 WeakPolarHBondContact O-CD 3.43Å; P268-F270 PolarHBondContact O-N 2.78Å |
| 269 | R | 90.5 | Very high | 90.1 | Very high | 49 Ų | 49 | 53.6 Ų | 53.6 | 19% | 0.185 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -70.6 | -22.3 | 178.5 | -76.1 | 177.7 | 172.8 | 93.7 | -10.5 | 112.4 | H265 L266 T267 A271 L272 C273 F339 V844 N847 | H265-R269 PolarHBondContact O-NH1 2.83Å; L266-R269 WeakPolarHBondContact O-CB 3.06Å; L266-R269 PolarHBondContact O-N 3.22Å; L266-R269 VanDerWaalsContact O-N 3.08Å; T267-R269 VanDerWaalsContact C-N 3.25Å; T267-R269 PolarHBondContact O-N 3Å; R269-A271 VanDerWaalsContact C-N 3.35Å; R269-A271 PolarHBondContact O-N 2.95Å; R269-L272 WeakPolarHBondContact O-CB 3.38Å; R269-L272 PolarHBondContact O-N 3.09Å; R269-C273 PolarHBondContact O-N 2.81Å; R269-F339 HydrophobicContact CB-CE1 4.14Å; R269-F339 HydrophobicContact CB-CZ 4.11Å; R269-F339 WeakPolarHBondContact O-CE1 3.37Å; R269-V844 HydrophobicContact CB-CG1 3.66Å; R269-V844 HydrophobicContact CG-CG1 3.85Å; R269-N847 PolarHBondContact NH2-O 3Å |
| 270 | F | 90 | Very high | 90.5 | Very high | 73 Ų | 73 | 55.1 Ų | 55.1 | 32% | 0.32 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.3 | -45.8 | 176.4 | -176.7 | -105.5 | 0 | 0 | 0 | 111.7 | L266 T267 P268 L272 C273 F274 P338 F339 | L266-F270 PolarHBondContact O-N 3.19Å; T267-F270 VanDerWaalsContact O-CB 3.31Å; T267-F270 WeakPolarHBondContact O-CB 3.21Å; T267-F270 PolarHBondContact O-N 3.23Å; P268-F270 PolarHBondContact O-N 2.78Å; F270-L272 VanDerWaalsContact C-N 3.31Å; F270-L272 PolarHBondContact O-N 2.9Å; F270-C273 WeakPolarHBondContact O-CB 3.37Å; F270-C273 PolarHBondContact O-N 3.07Å; F270-F274 HydrophobicContact CD1-CD2 4.2Å; F270-F274 HydrophobicContact CD1-CE2 4.31Å; F270-F274 HydrophobicContact CD2-CD2 4.22Å; F270-F274 AromaticContact CD2-CE2 4Å; F270-F274 HydrophobicContact CD2-CE2 4Å; F270-F274 AromaticContact CE1-CD2 3.86Å; F270-F274 HydrophobicContact CE1-CD2 3.86Å; F270-F274 AromaticContact CE1-CE2 3.61Å; F270-F274 HydrophobicContact CE1-CE2 3.61Å; F270-F274 HydrophobicContact CE1-CZ 4.2Å; F270-F274 AromaticContact CE2-CD2 3.87Å; F270-F274 HydrophobicContact CE2-CD2 3.87Å; F270-F274 AromaticContact CE2-CE2 3.22Å; F270-F274 HydrophobicContact CE2-CE2 3.22Å; F270-F274 HydrophobicContact CE2-CZ 4.12Å; F270-F274 HydrophobicContact CG-CD2 4.39Å; F270-F274 HydrophobicContact CG-CE2 4.49Å; F270-F274 AromaticContact CZ-CD2 3.71Å; F270-F274 HydrophobicContact CZ-CD2 3.71Å; F270-F274 AromaticContact CZ-CE2 3.01Å; F270-F274 HydrophobicContact CZ-CE2 3.01Å; F270-F274 AromaticContact CZ-CZ 3.58Å; F270-F274 HydrophobicContact CZ-CZ 3.58Å; F270-F274 WeakPolarHBondContact O-CD2 3.37Å; F270-F274 PolarHBondContact O-N 2.86Å; F270-P338 HydrophobicContact CD2-CB 4.03Å; F270-P338 HydrophobicContact CE2-CB 3.39Å; F270-P338 HydrophobicContact CE2-CG 4.4Å; F270-P338 HydrophobicContact CZ-CB 4.31Å; F270-F339 VanDerWaalsContact CA-CZ 3.48Å; F270-F339 HydrophobicContact CB-CE1 4.38Å; F270-F339 HydrophobicContact CB-CE2 4.46Å; F270-F339 HydrophobicContact CB-CZ 3.86Å; F270-F339 HydrophobicContact CD2-CE2 4.33Å; F270-F339 HydrophobicContact CD2-CZ 4.32Å |
| 271 | A | 91.4 | Very high | 90.8 | Very high | 68 Ų | 68 | 51.1 Ų | 51.1 | 56% | 0.562 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -62.2 | -39.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R269 F274 L275 | R269-A271 VanDerWaalsContact C-N 3.35Å; R269-A271 PolarHBondContact O-N 2.95Å; A271-F274 PolarHBondContact O-N 3.13Å; A271-L275 WeakPolarHBondContact O-CB 3.48Å; A271-L275 PolarHBondContact O-N 3.03Å |
| 272 | L | 92.7 | Very high | 91 | Very high | 82 Ų | 82 | 50.2 Ų | 50.2 | 43% | 0.429 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 176.3 | 179.1 | 58.4 | 0 | 0 | 0 | 111.9 | R269 F270 L275 I276 V844 | R269-L272 WeakPolarHBondContact O-CB 3.38Å; R269-L272 PolarHBondContact O-N 3.09Å; F270-L272 VanDerWaalsContact C-N 3.31Å; F270-L272 PolarHBondContact O-N 2.9Å; L272-L275 PolarHBondContact O-N 2.86Å; L272-I276 HydrophobicContact CD1-CD1 3.86Å; L272-I276 HydrophobicContact CD1-CG1 4.16Å; L272-I276 HydrophobicContact CG-CD1 3.89Å; L272-I276 WeakPolarHBondContact O-CG1 3.23Å; L272-I276 PolarHBondContact O-N 3.29Å; L272-V844 HydrophobicContact CB-CG1 4.28Å; L272-V844 HydrophobicContact CD2-CG1 3.84Å; L272-V844 HydrophobicContact CG-CG1 4.1Å; L272-V844 HydrophobicContact CG-CG2 4.34Å |
| 273 | C | 93.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.7 | -49.2 | 174.4 | 176.3 | 0 | 0 | 0 | 0 | 111.4 | R269 F270 L275 I276 L277 F339 V844 | R269-C273 PolarHBondContact O-N 2.81Å; F270-C273 WeakPolarHBondContact O-CB 3.37Å; F270-C273 PolarHBondContact O-N 3.07Å; C273-L275 VanDerWaalsContact C-N 3.34Å; C273-L275 PolarHBondContact O-N 3.13Å; C273-I276 PolarHBondContact O-N 3.37Å; C273-L277 WeakPolarHBondContact O-CB 3.48Å; C273-L277 VanDerWaalsContact O-CG 3.3Å; C273-L277 WeakPolarHBondContact O-CG 3.26Å; C273-L277 PolarHBondContact O-N 2.86Å; C273-F339 HydrophobicContact CB-CD1 3.56Å; C273-F339 HydrophobicContact CB-CE1 3.71Å; C273-V844 HydrophobicContact CB-CG2 4.21Å |
| 274 | F | 93.6 | Very high | 91.6 | Very high | 32 Ų | 32 | 55.7 Ų | 55.7 | 14% | 0.14 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.9 | -45.3 | 176.4 | -92.3 | -103.6 | 0 | 0 | 0 | 112.2 | F270 A271 L277 L278 V309 V342 | F270-F274 HydrophobicContact CD1-CD2 4.2Å; F270-F274 HydrophobicContact CD1-CE2 4.31Å; F270-F274 HydrophobicContact CD2-CD2 4.22Å; F270-F274 AromaticContact CD2-CE2 4Å; F270-F274 HydrophobicContact CD2-CE2 4Å; F270-F274 AromaticContact CE1-CD2 3.86Å; F270-F274 HydrophobicContact CE1-CD2 3.86Å; F270-F274 AromaticContact CE1-CE2 3.61Å; F270-F274 HydrophobicContact CE1-CE2 3.61Å; F270-F274 HydrophobicContact CE1-CZ 4.2Å; F270-F274 AromaticContact CE2-CD2 3.87Å; F270-F274 HydrophobicContact CE2-CD2 3.87Å; F270-F274 AromaticContact CE2-CE2 3.22Å; F270-F274 HydrophobicContact CE2-CE2 3.22Å; F270-F274 HydrophobicContact CE2-CZ 4.12Å; F270-F274 HydrophobicContact CG-CD2 4.39Å; F270-F274 HydrophobicContact CG-CE2 4.49Å; F270-F274 AromaticContact CZ-CD2 3.71Å; F270-F274 HydrophobicContact CZ-CD2 3.71Å; F270-F274 AromaticContact CZ-CE2 3.01Å; F270-F274 HydrophobicContact CZ-CE2 3.01Å; F270-F274 AromaticContact CZ-CZ 3.58Å; F270-F274 HydrophobicContact CZ-CZ 3.58Å; F270-F274 WeakPolarHBondContact O-CD2 3.37Å; F270-F274 PolarHBondContact O-N 2.86Å; A271-F274 PolarHBondContact O-N 3.13Å; F274-L277 PolarHBondContact O-N 3.33Å; F274-L278 WeakPolarHBondContact O-CB 3.42Å; F274-L278 WeakPolarHBondContact O-CD1 3.49Å; F274-L278 WeakPolarHBondContact O-CG 3.19Å; F274-L278 PolarHBondContact O-N 2.9Å; F274-V309 HydrophobicContact CD1-CG1 3.98Å; F274-V309 HydrophobicContact CE1-CG1 4.17Å; F274-V342 HydrophobicContact CE1-CG1 4.3Å; F274-V342 HydrophobicContact CE2-CB 4.45Å; F274-V342 HydrophobicContact CE2-CG1 4.15Å; F274-V342 HydrophobicContact CE2-CG2 3.99Å; F274-V342 HydrophobicContact CZ-CB 4.36Å; F274-V342 HydrophobicContact CZ-CG1 3.88Å; F274-V342 HydrophobicContact CZ-CG2 3.7Å |
| 275 | L | 94.6 | Very high | 91.6 | Very high | 105 Ų | 105 | 49.9 Ų | 49.9 | 55% | 0.55 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 178.4 | -178.6 | 64.9 | 0 | 0 | 0 | 111.9 | A271 L272 C273 L278 V279 | A271-L275 WeakPolarHBondContact O-CB 3.48Å; A271-L275 PolarHBondContact O-N 3.03Å; L272-L275 PolarHBondContact O-N 2.86Å; C273-L275 VanDerWaalsContact C-N 3.34Å; C273-L275 PolarHBondContact O-N 3.13Å; L275-L278 PolarHBondContact O-N 3.03Å; L275-V279 HydrophobicContact CD1-CG2 4.46Å; L275-V279 VanDerWaalsContact O-CG2 3.31Å; L275-V279 WeakPolarHBondContact O-CG2 3.31Å; L275-V279 PolarHBondContact O-N 2.99Å |
| 276 | I | 95 | Very high | 91.7 | Very high | 52 Ų | 52 | 48 Ų | 48 | 27% | 0.267 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 179.3 | -69.9 | 167.9 | 0 | 0 | 0 | 110.5 | L272 C273 V279 F280 L840 V844 | L272-I276 HydrophobicContact CD1-CD1 3.86Å; L272-I276 HydrophobicContact CD1-CG1 4.16Å; L272-I276 HydrophobicContact CG-CD1 3.89Å; L272-I276 WeakPolarHBondContact O-CG1 3.23Å; L272-I276 PolarHBondContact O-N 3.29Å; C273-I276 PolarHBondContact O-N 3.37Å; I276-V279 PolarHBondContact O-N 2.74Å; I276-F280 VanDerWaalsContact O-CB 3.29Å; I276-F280 WeakPolarHBondContact O-CB 3.36Å; I276-F280 PolarHBondContact O-N 2.79Å; I276-L840 HydrophobicContact CG2-CB 4.01Å; I276-V844 HydrophobicContact CD1-CG2 3.68Å |
| 277 | L | 95.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.1 | -41.2 | 179 | -68.6 | 178.5 | 0 | 0 | 0 | 112.1 | C273 F274 F280 A281 V309 V342 L346 S837 | C273-L277 WeakPolarHBondContact O-CB 3.48Å; C273-L277 VanDerWaalsContact O-CG 3.3Å; C273-L277 WeakPolarHBondContact O-CG 3.26Å; C273-L277 PolarHBondContact O-N 2.86Å; F274-L277 PolarHBondContact O-N 3.33Å; L277-F280 PolarHBondContact O-N 2.97Å; L277-A281 WeakPolarHBondContact O-CB 3.29Å; L277-A281 PolarHBondContact O-N 2.77Å; L277-V309 HydrophobicContact CB-CG1 4.18Å; L277-V309 HydrophobicContact CB-CG2 4.33Å; L277-V342 HydrophobicContact CD1-CG1 3.92Å; L277-L346 HydrophobicContact CD2-CD2 4.38Å; L277-S837 VanDerWaalsContact CD2-O 3.31Å; L277-S837 WeakPolarHBondContact CD2-O 3.5Å |
| 278 | L | 95 | Very high | 90.9 | Very high | 39 Ų | 39 | 49.2 Ų | 49.2 | 20% | 0.204 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 176.4 | -73.6 | 166.8 | 0 | 0 | 0 | 111.5 | F274 L275 T282 L306 V309 I310 | F274-L278 WeakPolarHBondContact O-CB 3.42Å; F274-L278 WeakPolarHBondContact O-CD1 3.49Å; F274-L278 WeakPolarHBondContact O-CG 3.19Å; F274-L278 PolarHBondContact O-N 2.9Å; L275-L278 PolarHBondContact O-N 3.03Å; L278-T282 VanDerWaalsContact O-CB 3.3Å; L278-T282 WeakPolarHBondContact O-CB 3.4Å; L278-T282 PolarHBondContact O-N 3.37Å; L278-T282 PolarHBondContact O-OG1 2.73Å; L278-L306 HydrophobicContact CB-CD2 4.23Å; L278-L306 HydrophobicContact CD2-CB 4.44Å; L278-L306 HydrophobicContact CD2-CD2 3.54Å; L278-L306 HydrophobicContact CG-CD2 4.45Å; L278-V309 HydrophobicContact CD2-CB 3.72Å; L278-V309 HydrophobicContact CD2-CG1 3.9Å; L278-V309 HydrophobicContact CD2-CG2 4.23Å; L278-V309 HydrophobicContact CG-CB 4.32Å; L278-V309 HydrophobicContact CG-CG1 3.99Å; L278-I310 HydrophobicContact CD2-CG1 4.27Å |
| 279 | V | 95 | Very high | 90.1 | Very high | 78 Ų | 78 | 45.2 Ų | 45.2 | 47% | 0.473 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.1 | -51.1 | 177.5 | 171.9 | 0 | 0 | 0 | 0 | 110.3 | L275 I276 A281 T282 L283 | L275-V279 HydrophobicContact CD1-CG2 4.46Å; L275-V279 VanDerWaalsContact O-CG2 3.31Å; L275-V279 WeakPolarHBondContact O-CG2 3.31Å; L275-V279 PolarHBondContact O-N 2.99Å; I276-V279 PolarHBondContact O-N 2.74Å; V279-A281 PolarHBondContact O-N 3.12Å; V279-T282 PolarHBondContact O-N 2.89Å; V279-L283 HydrophobicContact CG1-CD1 3.92Å; V279-L283 HydrophobicContact CG1-CG 4.46Å; V279-L283 VanDerWaalsContact O-CG 3.3Å; V279-L283 WeakPolarHBondContact O-CG 3.49Å; V279-L283 PolarHBondContact O-N 2.88Å |
| 280 | F | 95.2 | Very high | 89 | Confident | 34 Ų | 34 | 45.7 Ų | 45.7 | 15% | 0.149 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.7 | -48.5 | 179.7 | 175.8 | -102.8 | 0 | 0 | 0 | 112.2 | I276 L277 T282 L283 C284 F350 I836 L840 | I276-F280 VanDerWaalsContact O-CB 3.29Å; I276-F280 WeakPolarHBondContact O-CB 3.36Å; I276-F280 PolarHBondContact O-N 2.79Å; L277-F280 PolarHBondContact O-N 2.97Å; F280-T282 VanDerWaalsContact C-N 3.3Å; F280-T282 PolarHBondContact O-N 3.16Å; F280-L283 PolarHBondContact O-N 3.29Å; F280-C284 WeakPolarHBondContact CE2-SG 3.37Å; F280-C284 WeakPolarHBondContact CZ-SG 3.36Å; F280-C284 WeakPolarHBondContact O-CB 3.25Å; F280-C284 PolarHBondContact O-N 3.38Å; F280-C284 PolarHBondContact O-SG 3.3Å; F280-F350 HydrophobicContact CE1-CE2 4.3Å; F280-F350 HydrophobicContact CE1-CZ 4.23Å; F280-I836 HydrophobicContact CD2-CG2 4.49Å; F280-I836 HydrophobicContact CE1-CG2 4.37Å; F280-I836 HydrophobicContact CE2-CB 4.37Å; F280-I836 HydrophobicContact CE2-CG2 3.52Å; F280-I836 HydrophobicContact CZ-CB 3.81Å; F280-I836 HydrophobicContact CZ-CG2 3.44Å; F280-I836 VanDerWaalsContact CZ-CG2 3.44Å; F280-L840 HydrophobicContact CB-CD1 3.95Å; F280-L840 HydrophobicContact CD1-CD1 4.12Å; F280-L840 HydrophobicContact CD2-CD1 3.33Å; F280-L840 HydrophobicContact CE1-CD1 4.5Å; F280-L840 HydrophobicContact CE2-CD1 3.78Å; F280-L840 HydrophobicContact CG-CD1 3.52Å; F280-L840 HydrophobicContact CZ-CD1 4.34Å |
| 281 | A | 93.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62 | -39.4 | 180 | 0 | 0 | 0 | 0 | 0 | 111.9 | L277 V279 T285 A305 V309 L346 F350 | L277-A281 WeakPolarHBondContact O-CB 3.29Å; L277-A281 PolarHBondContact O-N 2.77Å; V279-A281 PolarHBondContact O-N 3.12Å; A281-T285 WeakPolarHBondContact O-CG2 3.4Å; A281-T285 PolarHBondContact O-N 3.5Å; A281-T285 PolarHBondContact O-OG1 3.3Å; A281-A305 HydrophobicContact CB-CB 3.77Å; A281-A305 WeakPolarHBondContact O-CB 3.01Å; A281-V309 HydrophobicContact CB-CG2 4.1Å; A281-L346 HydrophobicContact CB-CD1 4.08Å; A281-L346 HydrophobicContact CB-CD2 3.98Å; A281-F350 HydrophobicContact CB-CZ 4.16Å |
| 282 | T | 92.1 | Very high | 86.7 | Confident | 37 Ų | 37 | 44.4 Ų | 44.4 | 23% | 0.227 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.4 | -48.9 | 174.6 | -58.2 | 0 | 0 | 0 | 0 | 110.5 | L278 V279 F280 C284 T285 I286 P302 L306 | L278-T282 VanDerWaalsContact O-CB 3.3Å; L278-T282 WeakPolarHBondContact O-CB 3.4Å; L278-T282 PolarHBondContact O-N 3.37Å; L278-T282 PolarHBondContact O-OG1 2.73Å; V279-T282 PolarHBondContact O-N 2.89Å; F280-T282 VanDerWaalsContact C-N 3.3Å; F280-T282 PolarHBondContact O-N 3.16Å; T282-C284 PolarHBondContact O-N 2.98Å; T282-T285 PolarHBondContact O-N 3.34Å; T282-T285 PolarHBondContact O-OG1 3.07Å; T282-I286 WeakPolarHBondContact O-CG1 3.45Å; T282-I286 PolarHBondContact O-N 3.43Å; T282-P302 HydrophobicContact CG2-CB 3.86Å; T282-L306 WeakPolarHBondContact OG1-CD2 3.41Å |
| 283 | L | 91.2 | Very high | 85.8 | Confident | 111 Ų | 111 | 46.2 Ų | 46.2 | 58% | 0.581 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -62.1 | -41.7 | 179.4 | -68.3 | 174 | 0 | 0 | 0 | 112.5 | V279 F280 T285 I286 | V279-L283 HydrophobicContact CG1-CD1 3.92Å; V279-L283 HydrophobicContact CG1-CG 4.46Å; V279-L283 VanDerWaalsContact O-CG 3.3Å; V279-L283 WeakPolarHBondContact O-CG 3.49Å; V279-L283 PolarHBondContact O-N 2.88Å; F280-L283 PolarHBondContact O-N 3.29Å; L283-T285 PolarHBondContact O-N 3.4Å; L283-I286 HydrophobicContact CD2-CD1 4.25Å; L283-I286 PolarHBondContact O-N 3.41Å |
| 284 | C | 88.9 | Confident | 85.1 | Confident | 21 Ų | 21 | 49 Ų | 49 | 14% | 0.142 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.8 | -21.1 | 179.3 | -78.9 | 0 | 0 | 0 | 0 | 114.5 | F280 T282 F350 Q833 | F280-C284 WeakPolarHBondContact CE2-SG 3.37Å; F280-C284 WeakPolarHBondContact CZ-SG 3.36Å; F280-C284 WeakPolarHBondContact O-CB 3.25Å; F280-C284 PolarHBondContact O-N 3.38Å; F280-C284 PolarHBondContact O-SG 3.3Å; T282-C284 PolarHBondContact O-N 2.98Å; C284-F350 HydrophobicContact CB-CE1 3.83Å; C284-F350 HydrophobicContact CB-CZ 4.11Å; C284-Q833 PolarHBondContact O-NE2 3.3Å; C284-Q833 VanDerWaalsContact O-NE2 3.09Å |
| 285 | T | 87.1 | Confident | 84.5 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -98.7 | -2.3 | -179.9 | 57.8 | 0 | 0 | 0 | 0 | 114.1 | A281 T282 L283 S287 K301 A305 F350 I353 R357 | A281-T285 WeakPolarHBondContact O-CG2 3.4Å; A281-T285 PolarHBondContact O-N 3.5Å; A281-T285 PolarHBondContact O-OG1 3.3Å; T282-T285 PolarHBondContact O-N 3.34Å; T282-T285 PolarHBondContact O-OG1 3.07Å; L283-T285 PolarHBondContact O-N 3.4Å; T285-S287 PolarHBondContact O-N 2.95Å; T285-K301 PolarHBondContact O-N 3Å; T285-K301 PolarHBondContact OG1-O 3.15Å; T285-A305 HydrophobicContact CG2-CB 3.79Å; T285-F350 HydrophobicContact CG2-CE1 4.25Å; T285-I353 HydrophobicContact CG2-CD1 3.6Å; T285-R357 PolarHBondContact O-NH2 2.88Å |
| 286 | I | 86.5 | Confident | 83.8 | Confident | 36 Ų | 36 | 44.1 Ų | 44.1 | 19% | 0.185 | 26% | 0.259 | C | S | . | . | trans | -73.7 | 124.4 | 172.1 | -69.2 | 170.1 | 0 | 0 | 0 | 108.9 | T282 L283 F288 I295 | T282-I286 WeakPolarHBondContact O-CG1 3.45Å; T282-I286 PolarHBondContact O-N 3.43Å; L283-I286 HydrophobicContact CD2-CD1 4.25Å; L283-I286 PolarHBondContact O-N 3.41Å; I286-F288 HydrophobicContact CG2-CE1 4.38Å; I286-F288 HydrophobicContact CG2-CE2 4.31Å; I286-F288 HydrophobicContact CG2-CZ 4.1Å; I286-I295 HydrophobicContact CD1-CD1 4.44Å; I286-I295 HydrophobicContact CG2-CB 4.34Å; I286-I295 HydrophobicContact CG2-CD1 3.98Å; I286-I295 HydrophobicContact CG2-CG1 3.73Å; I286-I295 HydrophobicContact CG2-CG2 3.88Å | ||
| 287 | S | 80 | Confident | 83.2 | Confident | 6 Ų | 6 | 43.1 Ų | 43.1 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | trans | -107.1 | 137.2 | 172.2 | -74 | 0 | 0 | 0 | 0 | 109.4 | T285 D296 S300 R357 D501 | T285-S287 PolarHBondContact O-N 2.95Å; S287-D296 PolarHBondContact O-N 3.14Å; S287-S300 PolarHBondContact N-OG 3.09Å; S287-S300 PolarHBondContact O-OG 3.15Å; S287-R357 VanDerWaalsContact OG-CZ 3.24Å; S287-R357 PolarHBondContact OG-NH1 3.02Å; S287-R357 PolarHBondContact OG-NH2 3.33Å; S287-D501 PolarHBondContact OG-OD1 2.77Å | ||
| 288 | F | 79.9 | Confident | 82.3 | Confident | 121 Ų | 121 | 43.3 Ų | 43.3 | 53% | 0.531 | 25% | 0.253 | S | S | . | . | B | Isolated β-bridge | trans | -95.6 | 149.6 | 177.6 | -63.6 | -81.7 | 0 | 0 | 0 | 111.2 | I286 C293 F294 I295 | I286-F288 HydrophobicContact CG2-CE1 4.38Å; I286-F288 HydrophobicContact CG2-CE2 4.31Å; I286-F288 HydrophobicContact CG2-CZ 4.1Å; F288-C293 WeakPolarHBondContact CD1-O 3.23Å; F288-F294 WeakPolarHBondContact CA-O 3.4Å; F288-I295 HydrophobicContact CD1-CG1 4.33Å; F288-I295 HydrophobicContact CE1-CG1 4.01Å |
| 289 | I | 71.2 | Confident | 81.6 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | trans | -73.1 | 128.3 | 175 | -59.8 | 172.7 | 0 | 0 | 0 | 109.2 | G291 T292 F294 D296 Y451 L481 T483 | I289-G291 PolarHBondContact O-N 2.64Å; I289-G291 VanDerWaalsContact O-N 3.14Å; I289-T292 WeakPolarHBondContact CB-OG1 3.27Å; I289-T292 PolarHBondContact O-N 3.46Å; I289-T292 VanDerWaalsContact O-O 3.06Å; I289-T292 PolarHBondContact O-OG1 3.21Å; I289-F294 PolarHBondContact N-O 2.86Å; I289-D296 HydrophobicContact CG1-CB 3.79Å; I289-Y451 HydrophobicContact CD1-CG 4.38Å; I289-Y451 HydrophobicContact CG2-CD1 3.61Å; I289-Y451 HydrophobicContact CG2-CE1 3.92Å; I289-Y451 HydrophobicContact CG2-CG 4.25Å; I289-L481 HydrophobicContact CD1-CB 4.13Å; I289-T483 HydrophobicContact CD1-CG2 4.49Å; I289-T483 HydrophobicContact CG1-CG2 4.11Å; I289-T483 HydrophobicContact CG2-CG2 4Å | ||
| 290 | D | 66.6 | Low | 81.1 | Confident | 59 Ų | 59 | 39 Ų | 39 | 32% | 0.316 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | 115.8 | -176.4 | -64.5 | -77 | 0 | 0 | 0 | 113.4 | R499 K505 | D290-R499 IonicContact OD2-CZ 3.95Å; D290-R499 IonicContact OD2-NE 2.94Å; D290-R499 PolarHBondContact OD2-NE 3.35Å; D290-R499 IonicContact OD2-NH2 2.76Å; D290-R499 PolarHBondContact OD2-NH2 3.38Å; D290-K505 IonicContact OD1-NZ 3.92Å; D290-K505 PolarHBondContact OD1-NZ 3.42Å |
| 291 | G | 64.2 | Low | 80.8 | Confident | 84 Ų | 84 | 37.8 Ų | 37.8 | 87% | 0.866 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.5 | 5.7 | 179 | 0 | 0 | 0 | 0 | 0 | 115.2 | I289 | I289-G291 PolarHBondContact O-N 2.64Å; I289-G291 VanDerWaalsContact O-N 3.14Å |
| 292 | T | 70.3 | Confident | 80.6 | Confident | 31 Ų | 31 | 38.1 Ų | 38.1 | 19% | 0.19 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -133 | 160 | 175.6 | 72.5 | 0 | 0 | 0 | 0 | 111.1 | I289 F294 | I289-T292 WeakPolarHBondContact CB-OG1 3.27Å; I289-T292 PolarHBondContact O-N 3.46Å; I289-T292 VanDerWaalsContact O-O 3.06Å; I289-T292 PolarHBondContact O-OG1 3.21Å; T292-F294 VanDerWaalsContact C-N 3.26Å; T292-F294 HydrophobicContact CG2-CD2 4.44Å; T292-F294 PolarHBondContact OG1-N 2.77Å |
| 293 | C | 74 | Confident | 80.4 | Confident | 120 Ų | 120 | 38.6 Ų | 38.6 | 81% | 0.811 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -87.4 | 10.8 | 171.2 | -63.6 | 0 | 0 | 0 | 0 | 113 | F288 | F288-C293 WeakPolarHBondContact CD1-O 3.23Š|
| 294 | F | 78.4 | Confident | 80.4 | Confident | 58 Ų | 58 | 33.3 Ų | 33.3 | 25% | 0.254 | 20% | 0.198 | S | C | . | . | trans | -84.9 | 140.8 | -179.9 | -63.7 | -66.8 | 0 | 0 | 0 | 111.4 | F288 I289 T292 L469 R477 L481 | F288-F294 WeakPolarHBondContact CA-O 3.4Å; I289-F294 PolarHBondContact N-O 2.86Å; T292-F294 VanDerWaalsContact C-N 3.26Å; T292-F294 HydrophobicContact CG2-CD2 4.44Å; T292-F294 PolarHBondContact OG1-N 2.77Å; F294-L469 HydrophobicContact CD2-CD2 4.23Å; F294-L469 HydrophobicContact CE2-CD1 4.06Å; F294-L469 HydrophobicContact CE2-CD2 4Å; F294-R477 WeakPolarHBondContact CD1-O 3.46Å; F294-R477 HydrophobicContact CE1-CB 4.08Å; F294-L481 HydrophobicContact CB-CD1 3.92Å; F294-L481 HydrophobicContact CD1-CD1 4.26Å; F294-L481 HydrophobicContact CD2-CD1 4.3Å; F294-L481 HydrophobicContact CG-CD1 3.9Å | ||
| 295 | I | 80.1 | Confident | 80.5 | Confident | 35 Ų | 35 | 32.3 Ų | 32.3 | 18% | 0.179 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -75.5 | 134.1 | -179.2 | -63.1 | 172.9 | 0 | 0 | 0 | 109.6 | I286 F288 W297 | I286-I295 HydrophobicContact CD1-CD1 4.44Å; I286-I295 HydrophobicContact CG2-CB 4.34Å; I286-I295 HydrophobicContact CG2-CD1 3.98Å; I286-I295 HydrophobicContact CG2-CG1 3.73Å; I286-I295 HydrophobicContact CG2-CG2 3.88Å; F288-I295 HydrophobicContact CD1-CG1 4.33Å; F288-I295 HydrophobicContact CE1-CG1 4.01Å; I295-W297 HydrophobicContact CB-CZ2 4.25Å; I295-W297 HydrophobicContact CD1-CH2 4.34Å; I295-W297 HydrophobicContact CD1-CZ2 3.88Å; I295-W297 HydrophobicContact CG2-CD2 3.86Å; I295-W297 HydrophobicContact CG2-CE3 4.31Å; I295-W297 HydrophobicContact CG2-CG 4.2Å; I295-W297 HydrophobicContact CG2-CH2 4.47Å; I295-W297 HydrophobicContact CG2-CZ2 4.04Å; I295-W297 PolarHBondContact O-N 2.76Å |
| 296 | D | 80.7 | Confident | 80.7 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -85.4 | 94.7 | 169.1 | -167.7 | -25.9 | 0 | 0 | 0 | 110 | S287 I289 S298 I299 S300 G482 T483 R499 | S287-D296 PolarHBondContact O-N 3.14Å; I289-D296 HydrophobicContact CG1-CB 3.79Å; D296-S298 PolarHBondContact O-N 3.2Å; D296-S298 WeakPolarHBondContact OD1-CB 3.35Å; D296-S298 PolarHBondContact OD1-N 2.95Å; D296-S298 PolarHBondContact OD1-OG 2.97Å; D296-I299 PolarHBondContact O-N 3.41Å; D296-I299 PolarHBondContact OD1-N 3.48Å; D296-I299 WeakPolarHBondContact OD2-CD1 3.36Å; D296-S300 WeakPolarHBondContact O-CB 3.14Å; D296-S300 PolarHBondContact O-N 3.14Å; D296-S300 PolarHBondContact O-OG 3.36Å; D296-G482 VanDerWaalsContact OD1-CA 3.32Å; D296-G482 WeakPolarHBondContact OD1-CA 3.43Å; D296-T483 PolarHBondContact OD1-N 2.89Å; D296-T483 WeakPolarHBondContact OD2-CG2 3.21Å; D296-T483 PolarHBondContact OD2-OG1 3.1Å; D296-T483 VanDerWaalsContact OD2-OG1 3.05Å; D296-R499 IonicContact OD2-CZ 2.96Å; D296-R499 IonicContact OD2-NH1 3.57Å; D296-R499 PolarHBondContact OD2-NH1 3.43Å | ||
| 297 | W | 82.7 | Confident | 81 | Confident | 30 Ų | 30 | 35.1 Ų | 35.1 | 11% | 0.114 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -9.2 | 179.7 | -64.2 | 98.4 | 0 | 0 | 0 | 113.6 | I295 C441 V442 T448 L478 F479 L481 | I295-W297 HydrophobicContact CB-CZ2 4.25Å; I295-W297 HydrophobicContact CD1-CH2 4.34Å; I295-W297 HydrophobicContact CD1-CZ2 3.88Å; I295-W297 HydrophobicContact CG2-CD2 3.86Å; I295-W297 HydrophobicContact CG2-CE3 4.31Å; I295-W297 HydrophobicContact CG2-CG 4.2Å; I295-W297 HydrophobicContact CG2-CH2 4.47Å; I295-W297 HydrophobicContact CG2-CZ2 4.04Å; I295-W297 PolarHBondContact O-N 2.76Å; W297-C441 VanDerWaalsContact O-CB 3.31Å; W297-C441 WeakPolarHBondContact O-CB 3.14Å; W297-C441 PolarHBondContact O-N 3.44Å; W297-C441 PolarHBondContact O-SG 3.43Å; W297-V442 HydrophobicContact CE3-CG2 4.06Å; W297-V442 HydrophobicContact CZ3-CB 4.48Å; W297-V442 HydrophobicContact CZ3-CG2 3.66Å; W297-T448 HydrophobicContact CB-CG2 4.06Å; W297-L478 PolarHBondContact NE1-O 3.32Å; W297-F479 VanDerWaalsContact CD1-C 3.41Å; W297-F479 AromaticContact CZ2-CD1 3.97Å; W297-F479 HydrophobicContact CZ2-CD1 3.97Å; W297-F479 VanDerWaalsContact NE1-C 3.32Å; W297-F479 VanDerWaalsContact NE1-CA 3.31Å; W297-L481 WeakPolarHBondContact CB-O 3.34Å; W297-L481 VanDerWaalsContact CD1-O 3.31Å; W297-L481 PolarHBondContact N-O 3.1Å |
| 298 | S | 75.7 | Confident | 81.7 | Confident | 4 Ų | 4 | 35 Ų | 35 | 3% | 0.028 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -30 | 177.1 | 71 | 0 | 0 | 0 | 0 | 112.5 | D296 T483 | D296-S298 PolarHBondContact O-N 3.2Å; D296-S298 WeakPolarHBondContact OD1-CB 3.35Å; D296-S298 PolarHBondContact OD1-N 2.95Å; D296-S298 PolarHBondContact OD1-OG 2.97Å; S298-T483 PolarHBondContact OG-N 3.19Å |
| 299 | I | 80.1 | Confident | 82.4 | Confident | 26 Ų | 26 | 29.3 Ų | 29.3 | 13% | 0.133 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -31.4 | -176.7 | -61.5 | -177.1 | 0 | 0 | 0 | 112.7 | D296 K301 | D296-I299 PolarHBondContact O-N 3.41Å; D296-I299 PolarHBondContact OD1-N 3.48Å; D296-I299 WeakPolarHBondContact OD2-CD1 3.36Å; I299-K301 PolarHBondContact O-NZ 3.34Å |
| 300 | S | 85.6 | Confident | 83.4 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.014 | 20% | 0.202 | C | C | . | . | trans | -57.1 | 143.5 | 178.3 | -62.3 | 0 | 0 | 0 | 0 | 111.1 | S287 D296 P302 C441 | S287-S300 PolarHBondContact N-OG 3.09Å; S287-S300 PolarHBondContact O-OG 3.15Å; D296-S300 WeakPolarHBondContact O-CB 3.14Å; D296-S300 PolarHBondContact O-N 3.14Å; D296-S300 PolarHBondContact O-OG 3.36Å; S300-P302 WeakPolarHBondContact O-CD 3.49Å; S300-C441 WeakPolarHBondContact O-CB 3.26Å; S300-C441 PolarHBondContact O-SG 2.88Å | ||
| 301 | K | 88.2 | Confident | 84.8 | Confident | 7 Ų | 7 | 30.9 Ų | 30.9 | 3% | 0.03 | 19% | 0.193 | C | C | . | . | trans | -125.6 | 53.3 | -173.9 | -74 | 166.8 | 179.8 | 46.2 | 0 | 113.2 | T285 I299 I303 L304 A305 E435 | T285-K301 PolarHBondContact O-N 3Å; T285-K301 PolarHBondContact OG1-O 3.15Å; I299-K301 PolarHBondContact O-NZ 3.34Å; K301-I303 PolarHBondContact O-N 2.7Å; K301-L304 HydrophobicContact CB-CB 4.12Å; K301-L304 HydrophobicContact CD-CD2 4.34Å; K301-L304 PolarHBondContact O-N 3.34Å; K301-A305 PolarHBondContact O-N 2.89Å; K301-E435 IonicContact NZ-OE2 2.76Å; K301-E435 PolarHBondContact NZ-OE2 3.4Å | ||
| 302 | P | 88.4 | Confident | 86.2 | Confident | 8 Ų | 8 | 27.2 Ų | 27.2 | 5% | 0.052 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.3 | -41.6 | -177.9 | 27.5 | -35 | 0 | 0 | 0 | 112.4 | T282 S300 L304 A305 L306 C441 V442 | T282-P302 HydrophobicContact CG2-CB 3.86Å; S300-P302 WeakPolarHBondContact O-CD 3.49Å; P302-L304 PolarHBondContact O-N 3.42Å; P302-A305 WeakPolarHBondContact O-CB 3.42Å; P302-A305 PolarHBondContact O-N 3.37Å; P302-A305 VanDerWaalsContact O-N 3.14Å; P302-L306 WeakPolarHBondContact O-CG 3.39Å; P302-L306 PolarHBondContact O-N 2.96Å; P302-C441 WeakPolarHBondContact CD-SG 3.45Å; P302-V442 HydrophobicContact CG-CG2 3.64Å |
| 303 | I | 88.9 | Confident | 87.3 | Confident | 46 Ų | 46 | 26.1 Ų | 26.1 | 24% | 0.236 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.9 | -39.2 | 178.3 | -63.6 | -174.1 | 0 | 0 | 0 | 111.3 | K301 L306 V307 C441 I444 | K301-I303 PolarHBondContact O-N 2.7Å; I303-L306 PolarHBondContact O-N 2.94Å; I303-V307 HydrophobicContact CG2-CG2 4.31Å; I303-V307 WeakPolarHBondContact O-CB 3.44Å; I303-V307 WeakPolarHBondContact O-CG2 3.32Å; I303-V307 PolarHBondContact O-N 3.04Å; I303-C441 WeakPolarHBondContact CD1-O 3.25Å; I303-C441 WeakPolarHBondContact CG1-O 3.3Å; I303-I444 HydrophobicContact CD1-CD1 4.22Å; I303-I444 HydrophobicContact CD1-CG1 4.27Å |
| 304 | L | 90.9 | Very high | 88.3 | Confident | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67.6 | -39.5 | -179.2 | -167.6 | 66 | 0 | 0 | 0 | 111.8 | K301 P302 V307 G308 I353 M424 V427 L428 | K301-L304 HydrophobicContact CB-CB 4.12Å; K301-L304 HydrophobicContact CD-CD2 4.34Å; K301-L304 PolarHBondContact O-N 3.34Å; P302-L304 PolarHBondContact O-N 3.42Å; L304-V307 PolarHBondContact O-N 2.75Å; L304-G308 PolarHBondContact O-N 2.77Å; L304-I353 HydrophobicContact CD2-CD1 3.89Å; L304-I353 HydrophobicContact CD2-CG1 3.53Å; L304-I353 HydrophobicContact CG-CD1 4.3Å; L304-I353 HydrophobicContact CG-CG1 4.41Å; L304-M424 HydrophobicContact CD1-SD 3.27Å; L304-M424 WeakPolarHBondContact CD1-SD 3.36Å; L304-M424 HydrophobicContact CG-SD 3.74Å; L304-V427 HydrophobicContact CD1-CB 4.28Å; L304-V427 HydrophobicContact CD1-CG1 3.85Å; L304-L428 HydrophobicContact CD1-CB 3.98Å; L304-L428 HydrophobicContact CD2-CB 4.31Å; L304-L428 HydrophobicContact CD2-CD1 3.54Å; L304-L428 HydrophobicContact CD2-CG 4.47Å |
| 305 | A | 90.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.3 | -45.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A281 T285 K301 P302 V307 G308 V309 | A281-A305 HydrophobicContact CB-CB 3.77Å; A281-A305 WeakPolarHBondContact O-CB 3.01Å; T285-A305 HydrophobicContact CG2-CB 3.79Å; K301-A305 PolarHBondContact O-N 2.89Å; P302-A305 WeakPolarHBondContact O-CB 3.42Å; P302-A305 PolarHBondContact O-N 3.37Å; P302-A305 VanDerWaalsContact O-N 3.14Å; A305-V307 PolarHBondContact O-N 2.87Å; A305-G308 PolarHBondContact O-N 2.87Å; A305-G308 VanDerWaalsContact O-N 3.1Å; A305-V309 PolarHBondContact O-N 3.18Å; A305-V309 VanDerWaalsContact O-N 3.14Å |
| 306 | L | 92.7 | Very high | 89.9 | Confident | 61 Ų | 61 | 18.5 Ų | 18.5 | 32% | 0.319 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -60.4 | -45.9 | 177.4 | -64.2 | 172.9 | 0 | 0 | 0 | 111.5 | L278 T282 P302 I303 G308 V309 I310 | L278-L306 HydrophobicContact CB-CD2 4.23Å; L278-L306 HydrophobicContact CD2-CB 4.44Å; L278-L306 HydrophobicContact CD2-CD2 3.54Å; L278-L306 HydrophobicContact CG-CD2 4.45Å; T282-L306 WeakPolarHBondContact OG1-CD2 3.41Å; P302-L306 WeakPolarHBondContact O-CG 3.39Å; P302-L306 PolarHBondContact O-N 2.96Å; I303-L306 PolarHBondContact O-N 2.94Å; L306-G308 PolarHBondContact O-N 2.73Å; L306-V309 PolarHBondContact O-N 3.26Å; L306-I310 WeakPolarHBondContact O-CB 3.4Å; L306-I310 VanDerWaalsContact O-CG1 3.3Å; L306-I310 WeakPolarHBondContact O-CG1 3.26Å; L306-I310 PolarHBondContact O-N 3.24Å |
| 307 | V | 93.2 | Very high | 90.6 | Very high | 34 Ų | 34 | 20.5 Ų | 20.5 | 21% | 0.206 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.7 | -29.9 | 176.1 | 170.2 | 0 | 0 | 0 | 0 | 111.7 | I303 L304 A305 G311 I423 M424 V427 | I303-V307 HydrophobicContact CG2-CG2 4.31Å; I303-V307 WeakPolarHBondContact O-CB 3.44Å; I303-V307 WeakPolarHBondContact O-CG2 3.32Å; I303-V307 PolarHBondContact O-N 3.04Å; L304-V307 PolarHBondContact O-N 2.75Å; A305-V307 PolarHBondContact O-N 2.87Å; V307-G311 VanDerWaalsContact O-CA 3.29Å; V307-G311 WeakPolarHBondContact O-CA 3.4Å; V307-G311 PolarHBondContact O-N 3.4Å; V307-I423 HydrophobicContact CG1-CG2 4.26Å; V307-M424 HydrophobicContact CG1-CE 4.49Å; V307-V427 HydrophobicContact CB-CG1 4.4Å; V307-V427 HydrophobicContact CG1-CB 4.35Å; V307-V427 HydrophobicContact CG1-CG1 4.33Å; V307-V427 HydrophobicContact CG1-CG2 4.09Å; V307-V427 HydrophobicContact CG2-CG1 4.17Å |
| 308 | G | 93.1 | Very high | 91.3 | Very high | 5 Ų | 5 | 19 Ų | 19 | 5% | 0.052 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.3 | -50.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L304 A305 L306 A312 M424 | L304-G308 PolarHBondContact O-N 2.77Å; A305-G308 PolarHBondContact O-N 2.87Å; A305-G308 VanDerWaalsContact O-N 3.1Å; L306-G308 PolarHBondContact O-N 2.73Å; G308-A312 VanDerWaalsContact O-CB 3.3Å; G308-A312 WeakPolarHBondContact O-CB 3.29Å; G308-A312 PolarHBondContact O-N 2.86Å; G308-M424 VanDerWaalsContact N-CE 3.28Å |
| 309 | V | 94.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.5 | -48.5 | 178.5 | -178.3 | 0 | 0 | 0 | 0 | 110.8 | F274 L277 L278 A281 A305 L306 A312 G313 V342 L346 | F274-V309 HydrophobicContact CD1-CG1 3.98Å; F274-V309 HydrophobicContact CE1-CG1 4.17Å; L277-V309 HydrophobicContact CB-CG1 4.18Å; L277-V309 HydrophobicContact CB-CG2 4.33Å; L278-V309 HydrophobicContact CD2-CB 3.72Å; L278-V309 HydrophobicContact CD2-CG1 3.9Å; L278-V309 HydrophobicContact CD2-CG2 4.23Å; L278-V309 HydrophobicContact CG-CB 4.32Å; L278-V309 HydrophobicContact CG-CG1 3.99Å; A281-V309 HydrophobicContact CB-CG2 4.1Å; A305-V309 PolarHBondContact O-N 3.18Å; A305-V309 VanDerWaalsContact O-N 3.14Å; L306-V309 PolarHBondContact O-N 3.26Å; V309-A312 PolarHBondContact O-N 3.4Å; V309-G313 PolarHBondContact O-N 3.27Å; V309-V342 HydrophobicContact CG1-CG1 4.08Å; V309-L346 HydrophobicContact CG2-CD1 3.63Å; V309-L346 HydrophobicContact CG2-CD2 4.09Å; V309-L346 HydrophobicContact CG2-CG 4.45Å |
| 310 | I | 93.7 | Very high | 93 | Very high | 85 Ų | 85 | 18.2 Ų | 18.2 | 44% | 0.436 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -65 | -43.6 | -179.8 | -65.2 | 169.1 | 0 | 0 | 0 | 110.7 | L278 L306 A312 G313 I314 | L278-I310 HydrophobicContact CD2-CG1 4.27Å; L306-I310 WeakPolarHBondContact O-CB 3.4Å; L306-I310 VanDerWaalsContact O-CG1 3.3Å; L306-I310 WeakPolarHBondContact O-CG1 3.26Å; L306-I310 PolarHBondContact O-N 3.24Å; I310-A312 VanDerWaalsContact C-N 3.34Å; I310-A312 PolarHBondContact O-N 3.09Å; I310-G313 PolarHBondContact O-N 2.55Å; I310-I314 HydrophobicContact CG2-CD1 3.85Å; I310-I314 HydrophobicContact CG2-CG1 4.34Å; I310-I314 WeakPolarHBondContact O-CG1 3.5Å; I310-I314 PolarHBondContact O-N 3Å |
| 311 | G | 94 | Very high | 93.5 | Very high | 12 Ų | 12 | 18.1 Ų | 18.1 | 12% | 0.124 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65 | -35.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V307 G315 N419 | V307-G311 VanDerWaalsContact O-CA 3.29Å; V307-G311 WeakPolarHBondContact O-CA 3.4Å; V307-G311 PolarHBondContact O-N 3.4Å; G311-G315 PolarHBondContact O-N 3.48Å; G311-N419 PolarHBondContact O-ND2 3.31Å |
| 312 | A | 94 | Very high | 93.9 | Very high | 7 Ų | 7 | 20.7 Ų | 20.7 | 6% | 0.058 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.6 | -43.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | G308 V309 I310 I314 G315 V316 V342 R345 T416 | G308-A312 VanDerWaalsContact O-CB 3.3Å; G308-A312 WeakPolarHBondContact O-CB 3.29Å; G308-A312 PolarHBondContact O-N 2.86Å; V309-A312 PolarHBondContact O-N 3.4Å; I310-A312 VanDerWaalsContact C-N 3.34Å; I310-A312 PolarHBondContact O-N 3.09Å; A312-I314 PolarHBondContact O-N 3.27Å; A312-G315 PolarHBondContact O-N 3.21Å; A312-V316 WeakPolarHBondContact O-CG2 3.42Å; A312-V316 PolarHBondContact O-N 2.83Å; A312-V342 HydrophobicContact CB-CG1 4.3Å; A312-V342 HydrophobicContact CB-CG2 4.43Å; A312-R345 HydrophobicContact CB-CB 4.38Å; A312-T416 WeakPolarHBondContact O-CG2 3.41Å |
| 313 | G | 94.7 | Very high | 94.3 | Very high | 8 Ų | 8 | 21.5 Ų | 21.5 | 8% | 0.082 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62 | -41.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.9 | V309 I310 G315 V316 S317 | V309-G313 PolarHBondContact O-N 3.27Å; I310-G313 PolarHBondContact O-N 2.55Å; G313-G315 VanDerWaalsContact C-N 3.35Å; G313-V316 PolarHBondContact O-N 3.1Å; G313-S317 WeakPolarHBondContact O-CB 3.44Å; G313-S317 PolarHBondContact O-N 3.18Å; G313-S317 PolarHBondContact O-OG 3.22Å |
| 314 | I | 95.2 | Very high | 94.6 | Very high | 47 Ų | 47 | 19.6 Ų | 19.6 | 24% | 0.241 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.5 | -43.2 | 173 | -69.2 | 169.5 | 0 | 0 | 0 | 110.3 | L37 N40 I310 A312 S317 S318 | L37-I314 HydrophobicContact CD1-CD1 4.19Å; N40-I314 HydrophobicContact CB-CG2 3.44Å; N40-I314 VanDerWaalsContact CB-CG2 3.44Å; N40-I314 VanDerWaalsContact CG-CG2 3.5Å; I310-I314 HydrophobicContact CG2-CD1 3.85Å; I310-I314 HydrophobicContact CG2-CG1 4.34Å; I310-I314 WeakPolarHBondContact O-CG1 3.5Å; I310-I314 PolarHBondContact O-N 3Å; A312-I314 PolarHBondContact O-N 3.27Å; I314-S317 PolarHBondContact O-N 2.61Å; I314-S318 WeakPolarHBondContact O-CB 3.46Å; I314-S318 PolarHBondContact O-N 2.79Å; I314-S318 PolarHBondContact O-OG 3.28Å |
| 315 | G | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.4 | -46.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G311 A312 G313 S317 S318 A319 T415 N419 | G311-G315 PolarHBondContact O-N 3.48Å; A312-G315 PolarHBondContact O-N 3.21Å; G313-G315 VanDerWaalsContact C-N 3.35Å; G315-S317 VanDerWaalsContact C-N 3.35Å; G315-S317 PolarHBondContact O-N 3.27Å; G315-S318 PolarHBondContact O-N 2.99Å; G315-A319 PolarHBondContact O-N 3.44Å; G315-T415 PolarHBondContact O-OG1 3.41Å; G315-N419 VanDerWaalsContact CA-ND2 3.31Å; G315-N419 WeakPolarHBondContact CA-ND2 3.25Å; G315-N419 PolarHBondContact N-ND2 3.29Å |
| 316 | V | 95.6 | Very high | 94.9 | Very high | 5 Ų | 5 | 28.2 Ų | 28.2 | 3% | 0.03 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.4 | -45.5 | 175.4 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | A312 G313 S318 A319 V320 M337 P338 V341 V342 A412 T416 | A312-V316 WeakPolarHBondContact O-CG2 3.42Å; A312-V316 PolarHBondContact O-N 2.83Å; G313-V316 PolarHBondContact O-N 3.1Å; V316-S318 VanDerWaalsContact C-N 3.34Å; V316-S318 PolarHBondContact O-N 2.76Å; V316-A319 PolarHBondContact O-N 2.89Å; V316-V320 WeakPolarHBondContact O-CG2 3.18Å; V316-V320 PolarHBondContact O-N 3.24Å; V316-M337 HydrophobicContact CG1-CE 3.76Å; V316-P338 HydrophobicContact CG1-CB 3.89Å; V316-P338 HydrophobicContact CG1-CG 3.86Å; V316-V341 HydrophobicContact CG2-CB 3.94Å; V316-V341 HydrophobicContact CG2-CG1 3.65Å; V316-V342 HydrophobicContact CG2-CG2 4.04Å; V316-A412 HydrophobicContact CG2-CB 4.42Å; V316-T416 HydrophobicContact CG2-CG2 4.27Å |
| 317 | S | 95 | Very high | 94.8 | Very high | 42 Ų | 42 | 27.9 Ų | 27.9 | 29% | 0.294 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.3 | -42.8 | 178.5 | -55.1 | 0 | 0 | 0 | 0 | 111.8 | G313 I314 G315 A319 V320 G321 | G313-S317 WeakPolarHBondContact O-CB 3.44Å; G313-S317 PolarHBondContact O-N 3.18Å; G313-S317 PolarHBondContact O-OG 3.22Å; I314-S317 PolarHBondContact O-N 2.61Å; G315-S317 VanDerWaalsContact C-N 3.35Å; G315-S317 PolarHBondContact O-N 3.27Å; S317-A319 VanDerWaalsContact C-N 3.35Å; S317-A319 PolarHBondContact O-N 3.02Å; S317-V320 PolarHBondContact O-N 3.29Å; S317-G321 PolarHBondContact O-N 3.09Å |
| 318 | S | 96.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.9 | -35.9 | 175.5 | -61.9 | 0 | 0 | 0 | 0 | 113 | N40 S44 I314 G315 V316 L322 | N40-S318 WeakPolarHBondContact CA-OG 3.33Å; N40-S318 WeakPolarHBondContact CB-OG 3.24Å; N40-S318 VanDerWaalsContact CG-OG 3.28Å; N40-S318 PolarHBondContact O-OG 3.34Å; N40-S318 VanDerWaalsContact O-OG 3.14Å; N40-S318 WeakPolarHBondContact OD1-CB 3.24Å; N40-S318 PolarHBondContact OD1-OG 3.29Å; S44-S318 PolarHBondContact OG-OG 2.85Å; I314-S318 WeakPolarHBondContact O-CB 3.46Å; I314-S318 PolarHBondContact O-N 2.79Å; I314-S318 PolarHBondContact O-OG 3.28Å; G315-S318 PolarHBondContact O-N 2.99Å; V316-S318 VanDerWaalsContact C-N 3.34Å; V316-S318 PolarHBondContact O-N 2.76Å; S318-L322 VanDerWaalsContact O-CB 3.26Å; S318-L322 WeakPolarHBondContact O-CB 3.34Å; S318-L322 PolarHBondContact O-N 3.32Å |
| 319 | A | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.1 | -47.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G315 V316 S317 G321 L322 M323 A411 A412 T415 | G315-A319 PolarHBondContact O-N 3.44Å; V316-A319 PolarHBondContact O-N 2.89Å; S317-A319 VanDerWaalsContact C-N 3.35Å; S317-A319 PolarHBondContact O-N 3.02Å; A319-G321 VanDerWaalsContact C-N 3.28Å; A319-G321 PolarHBondContact O-N 2.85Å; A319-L322 PolarHBondContact O-N 3.18Å; A319-M323 VanDerWaalsContact O-CG 3.27Å; A319-M323 WeakPolarHBondContact O-CG 3.19Å; A319-M323 PolarHBondContact O-N 3.5Å; A319-A411 VanDerWaalsContact CB-C 3.49Å; A319-A411 HydrophobicContact CB-CB 4.01Å; A319-A412 HydrophobicContact CB-CB 3.92Å; A319-A412 VanDerWaalsContact CB-N 3.35Å; A319-T415 HydrophobicContact CB-CG2 4.15Å |
| 320 | V | 96 | Very high | 94.6 | Very high | 13 Ų | 13 | 32.3 Ų | 32.3 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.3 | -44 | 176 | 179.2 | 0 | 0 | 0 | 0 | 109.9 | L47 V316 S317 M323 N324 Y330 M337 Y408 | L47-V320 HydrophobicContact CD2-CB 3.83Å; L47-V320 HydrophobicContact CD2-CG1 3.47Å; L47-V320 VanDerWaalsContact CD2-CG1 3.47Å; V316-V320 WeakPolarHBondContact O-CG2 3.18Å; V316-V320 PolarHBondContact O-N 3.24Å; S317-V320 PolarHBondContact O-N 3.29Å; V320-M323 PolarHBondContact O-N 3.33Å; V320-N324 WeakPolarHBondContact O-CB 3.26Å; V320-N324 PolarHBondContact O-N 2.81Å; V320-N324 PolarHBondContact O-ND2 3.37Å; V320-N324 PolarHBondContact O-OD1 2.94Å; V320-Y330 HydrophobicContact CG1-CD2 4.3Å; V320-Y330 HydrophobicContact CG1-CE2 4.2Å; V320-M337 HydrophobicContact CG2-CE 3.97Å; V320-Y408 HydrophobicContact CB-CD1 4.41Å; V320-Y408 HydrophobicContact CB-CE1 4.33Å; V320-Y408 HydrophobicContact CG1-CD1 4.45Å; V320-Y408 HydrophobicContact CG1-CE1 3.99Å; V320-Y408 HydrophobicContact CG2-CD1 4.12Å; V320-Y408 HydrophobicContact CG2-CE1 4.47Å |
| 321 | G | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.5 | -45.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L43 G46 S317 A319 M323 N324 L325 | L43-G321 CarbonylContact O-C 3.56Å; L43-G321 VanDerWaalsContact O-CA 3.29Å; L43-G321 WeakPolarHBondContact O-CA 3.29Å; G46-G321 WeakPolarHBondContact CA-O 3.4Å; S317-G321 PolarHBondContact O-N 3.09Å; A319-G321 VanDerWaalsContact C-N 3.28Å; A319-G321 PolarHBondContact O-N 2.85Å; G321-M323 PolarHBondContact O-N 3.26Å; G321-N324 PolarHBondContact O-N 3.01Å; G321-L325 VanDerWaalsContact O-CG 3.3Å; G321-L325 WeakPolarHBondContact O-CG 3.16Å; G321-L325 PolarHBondContact O-N 2.99Å |
| 322 | L | 95.9 | Very high | 94.1 | Very high | 60 Ų | 60 | 27.9 Ų | 27.9 | 31% | 0.314 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -59.3 | -47.7 | 176.5 | 174.8 | 62.8 | 0 | 0 | 0 | 111.9 | L43 S318 A319 N324 L325 C326 | L43-L322 HydrophobicContact CD2-CB 4.35Å; L43-L322 HydrophobicContact CD2-CD1 3.99Å; S318-L322 VanDerWaalsContact O-CB 3.26Å; S318-L322 WeakPolarHBondContact O-CB 3.34Å; S318-L322 PolarHBondContact O-N 3.32Å; A319-L322 PolarHBondContact O-N 3.18Å; L322-N324 VanDerWaalsContact C-N 3.35Å; L322-N324 PolarHBondContact O-N 3.15Å; L322-L325 PolarHBondContact O-N 3.12Å; L322-C326 PolarHBondContact O-N 3.04Å; L322-C326 PolarHBondContact O-SG 3.13Å; L322-C326 VanDerWaalsContact O-SG 3.41Å |
| 323 | M | 95.6 | Very high | 93.8 | Very high | 25 Ų | 25 | 27.9 Ų | 27.9 | 12% | 0.123 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.7 | -41.7 | -179.1 | -67.3 | -57.2 | -76.9 | 0 | 0 | 111.5 | A319 V320 G321 L325 C326 G327 M328 A407 Y408 A411 | A319-M323 VanDerWaalsContact O-CG 3.27Å; A319-M323 WeakPolarHBondContact O-CG 3.19Å; A319-M323 PolarHBondContact O-N 3.5Å; V320-M323 PolarHBondContact O-N 3.33Å; G321-M323 PolarHBondContact O-N 3.26Å; M323-L325 PolarHBondContact O-N 3.2Å; M323-C326 WeakPolarHBondContact O-CB 3.02Å; M323-C326 PolarHBondContact O-N 3.08Å; M323-C326 VanDerWaalsContact O-N 3.15Å; M323-G327 PolarHBondContact O-N 3.38Å; M323-M328 HydrophobicContact CB-CB 4.26Å; M323-M328 HydrophobicContact CE-CB 4.37Å; M323-M328 HydrophobicContact CE-CE 3.93Å; M323-M328 HydrophobicContact CE-CG 3.71Å; M323-M328 HydrophobicContact CE-SD 4.39Å; M323-M328 VanDerWaalsContact O-CB 3.31Å; M323-M328 WeakPolarHBondContact O-CB 3.43Å; M323-M328 PolarHBondContact O-N 3.49Å; M323-M328 VanDerWaalsContact O-N 3.07Å; M323-A407 HydrophobicContact CE-CB 3.7Å; M323-Y408 HydrophobicContact CB-CD1 3.82Å; M323-Y408 HydrophobicContact CB-CE1 3.4Å; M323-Y408 VanDerWaalsContact CB-CE1 3.4Å; M323-Y408 HydrophobicContact CB-CE2 4.27Å; M323-Y408 HydrophobicContact CB-CG 4.42Å; M323-Y408 HydrophobicContact CG-CD1 3.95Å; M323-Y408 HydrophobicContact CG-CE1 4.08Å; M323-Y408 HydrophobicContact CG-CG 4.3Å; M323-A411 HydrophobicContact CG-CB 3.89Å; M323-A411 HydrophobicContact SD-CB 3.86Å |
| 324 | N | 95.3 | Very high | 93.6 | Very high | 7 Ų | 7 | 27.5 Ų | 27.5 | 4% | 0.037 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.3 | -38.3 | 175.2 | -66.3 | -6.4 | 0 | 0 | 0 | 112 | G46 V320 G321 L322 C326 G327 Y408 | G46-N324 VanDerWaalsContact O-CB 3.28Å; G46-N324 WeakPolarHBondContact O-CB 3.45Å; G46-N324 PolarHBondContact O-ND2 3.27Å; V320-N324 WeakPolarHBondContact O-CB 3.26Å; V320-N324 PolarHBondContact O-N 2.81Å; V320-N324 PolarHBondContact O-ND2 3.37Å; V320-N324 PolarHBondContact O-OD1 2.94Å; G321-N324 PolarHBondContact O-N 3.01Å; L322-N324 VanDerWaalsContact C-N 3.35Å; L322-N324 PolarHBondContact O-N 3.15Å; N324-C326 VanDerWaalsContact C-N 3.26Å; N324-C326 PolarHBondContact O-N 3.3Å; N324-G327 PolarHBondContact O-N 3.37Å; N324-Y408 PolarHBondContact OD1-OH 3.37Å |
| 325 | L | 94.1 | Very high | 93.4 | Very high | 90 Ų | 90 | 26 Ų | 26 | 47% | 0.471 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -65.3 | -29.5 | 174.2 | -71.9 | 169.4 | 0 | 0 | 0 | 112.7 | Y49 G321 L322 M323 G327 | Y49-L325 HydrophobicContact CD2-CD2 4.09Å; G321-L325 VanDerWaalsContact O-CG 3.3Å; G321-L325 WeakPolarHBondContact O-CG 3.16Å; G321-L325 PolarHBondContact O-N 2.99Å; L322-L325 PolarHBondContact O-N 3.12Å; M323-L325 PolarHBondContact O-N 3.2Å; L325-G327 PolarHBondContact O-N 3.2Å |
| 326 | C | 93.7 | Very high | 93.1 | Very high | 91 Ų | 91 | 26.2 Ų | 26.2 | 62% | 0.615 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | 0.2 | 171.9 | -68.4 | 0 | 0 | 0 | 0 | 113.4 | L322 M323 N324 | L322-C326 PolarHBondContact O-N 3.04Å; L322-C326 PolarHBondContact O-SG 3.13Å; L322-C326 VanDerWaalsContact O-SG 3.41Å; M323-C326 WeakPolarHBondContact O-CB 3.02Å; M323-C326 PolarHBondContact O-N 3.08Å; M323-C326 VanDerWaalsContact O-N 3.15Å; N324-C326 VanDerWaalsContact C-N 3.26Å; N324-C326 PolarHBondContact O-N 3.3Å |
| 327 | G | 91.4 | Very high | 92.9 | Very high | 55 Ų | 55 | 26 Ų | 26 | 57% | 0.567 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.5 | 16.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | M323 N324 L325 | M323-G327 PolarHBondContact O-N 3.38Å; N324-G327 PolarHBondContact O-N 3.37Å; L325-G327 PolarHBondContact O-N 3.2Å |
| 328 | M | 92.9 | Very high | 92.8 | Very high | 67 Ų | 67 | 24.7 Ų | 24.7 | 33% | 0.33 | 15% | 0.149 | S | C | . | . | P | Polyproline II helix | trans | -72.7 | 142.4 | 174.8 | -67.2 | -75.6 | -65.3 | 0 | 0 | 110.7 | M323 A407 Y408 | M323-M328 HydrophobicContact CB-CB 4.26Å; M323-M328 HydrophobicContact CE-CB 4.37Å; M323-M328 HydrophobicContact CE-CE 3.93Å; M323-M328 HydrophobicContact CE-CG 3.71Å; M323-M328 HydrophobicContact CE-SD 4.39Å; M323-M328 VanDerWaalsContact O-CB 3.31Å; M323-M328 WeakPolarHBondContact O-CB 3.43Å; M323-M328 PolarHBondContact O-N 3.49Å; M323-M328 VanDerWaalsContact O-N 3.07Å; M328-A407 HydrophobicContact CE-CB 4.01Å; M328-Y408 HydrophobicContact CB-CE2 4.25Å; M328-Y408 PolarHBondContact O-OH 3.39Å |
| 329 | I | 92 | Very high | 92.6 | Very high | 32 Ų | 32 | 24.8 Ų | 24.8 | 16% | 0.164 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -78.4 | 137.2 | 178.1 | 52.6 | 172 | 0 | 0 | 0 | 110.9 | I53 Y58 I404 Y408 | I53-I329 HydrophobicContact CD1-CB 4.12Å; I53-I329 HydrophobicContact CD1-CD1 4.02Å; I53-I329 HydrophobicContact CD1-CG2 3.69Å; I53-I329 HydrophobicContact CG1-CG2 4.4Å; Y58-I329 HydrophobicContact CE1-CD1 3.57Å; I329-I404 HydrophobicContact CD1-CD1 3.51Å; I329-I404 HydrophobicContact CD1-CG1 4.33Å; I329-I404 HydrophobicContact CG1-CD1 3.73Å; I329-I404 HydrophobicContact CG1-CG1 4.15Å; I329-I404 WeakPolarHBondContact O-CG2 3.12Å; I329-Y408 WeakPolarHBondContact O-CE2 3.31Å; I329-Y408 PolarHBondContact O-OH 2.87Å |
| 330 | Y | 92.2 | Very high | 92.3 | Very high | 33 Ų | 33 | 24.8 Ų | 24.8 | 13% | 0.129 | 15% | 0.15 | C | C | . | . | B | Isolated β-bridge | trans | -91.1 | 142.9 | 174.7 | -172 | -96.8 | 0 | 0 | 0 | 110.2 | M50 H51 E52 I53 V320 V334 Y408 | M50-Y330 HydrophobicContact CE-CD1 4.37Å; M50-Y330 HydrophobicContact CG-CD1 4.09Å; M50-Y330 HydrophobicContact CG-CD2 4.35Å; M50-Y330 HydrophobicContact CG-CG 3.78Å; M50-Y330 HydrophobicContact SD-CD1 3.67Å; M50-Y330 HydrophobicContact SD-CD2 4.07Å; M50-Y330 HydrophobicContact SD-CE1 3.94Å; M50-Y330 HydrophobicContact SD-CE2 4.31Å; M50-Y330 HydrophobicContact SD-CG 3.73Å; H51-Y330 PolarHBondContact O-N 3.14Å; E52-Y330 WeakPolarHBondContact CA-O 3.32Å; E52-Y330 HydrophobicContact CB-CD1 4.49Å; E52-Y330 HydrophobicContact CG-CD1 4.34Å; I53-Y330 PolarHBondContact N-O 2.77Å; V320-Y330 HydrophobicContact CG1-CD2 4.3Å; V320-Y330 HydrophobicContact CG1-CE2 4.2Å; Y330-V334 HydrophobicContact CD2-CB 4.43Å; Y330-V334 HydrophobicContact CD2-CG1 4.24Å; Y330-V334 HydrophobicContact CE2-CB 3.95Å; Y330-V334 HydrophobicContact CE2-CG1 3.67Å; Y330-Y408 HydrophobicContact CD2-CE1 4.29Å |
| 331 | T | 90.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | trans | -140.1 | 158 | 178.5 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | L59 I333 V334 I404 | L59-T331 WeakPolarHBondContact CD1-OG1 3.46Å; T331-I333 VanDerWaalsContact C-N 3.31Å; T331-I333 HydrophobicContact CG2-CG2 3.65Å; T331-I333 PolarHBondContact O-N 2.7Å; T331-V334 HydrophobicContact CG2-CB 4.5Å; T331-V334 HydrophobicContact CG2-CG2 3.66Å; T331-V334 VanDerWaalsContact O-CB 3.25Å; T331-V334 WeakPolarHBondContact O-CB 3.31Å; T331-V334 PolarHBondContact O-N 2.83Å; T331-I404 HydrophobicContact CG2-CB 4.24Å; T331-I404 HydrophobicContact CG2-CD1 4.41Å; T331-I404 HydrophobicContact CG2-CG2 3.72Å | ||
| 332 | Q | 86.1 | Confident | 92 | Very high | 3 Ų | 3 | 24.4 Ų | 24.4 | 1% | 0.014 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -68.1 | -27.9 | -172.2 | -59.3 | 164.1 | 2.8 | 0 | 0 | 113.7 | E52 L259 A263 V334 A335 | E52-Q332 WeakPolarHBondContact OE1-CG 3.48Å; L259-Q332 PolarHBondContact O-NE2 2.74Å; L259-Q332 PolarHBondContact O-OE1 3.23Å; A263-Q332 HydrophobicContact CB-CB 4.1Å; A263-Q332 HydrophobicContact CB-CG 3.85Å; Q332-V334 PolarHBondContact O-N 3.06Å; Q332-A335 WeakPolarHBondContact O-CB 3.26Å; Q332-A335 PolarHBondContact O-N 3.36Å |
| 333 | I | 87.7 | Confident | 91.8 | Very high | 6 Ų | 6 | 21.5 Ų | 21.5 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -64.5 | -27 | 175.2 | -165.4 | 149.8 | 0 | 0 | 0 | 111.5 | T331 A335 V336 F405 V785 I788 M852 | T331-I333 VanDerWaalsContact C-N 3.31Å; T331-I333 HydrophobicContact CG2-CG2 3.65Å; T331-I333 PolarHBondContact O-N 2.7Å; I333-A335 PolarHBondContact O-N 3.37Å; I333-V336 PolarHBondContact O-N 3.38Å; I333-F405 HydrophobicContact CG1-CD2 4.2Å; I333-F405 HydrophobicContact CG2-CB 4.34Å; I333-F405 HydrophobicContact CG2-CD2 4.48Å; I333-V785 HydrophobicContact CD1-CG2 4.24Å; I333-I788 HydrophobicContact CD1-CD1 3.46Å; I333-I788 VanDerWaalsContact CD1-CD1 3.46Å; I333-I788 HydrophobicContact CG1-CD1 4.1Å; I333-M852 HydrophobicContact CD1-SD 4.4Å |
| 334 | V | 91.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -66.9 | -22.8 | 172 | -179.7 | 0 | 0 | 0 | 0 | 111.1 | Y330 T331 Q332 V336 M337 P338 I404 Y408 | Y330-V334 HydrophobicContact CD2-CB 4.43Å; Y330-V334 HydrophobicContact CD2-CG1 4.24Å; Y330-V334 HydrophobicContact CE2-CB 3.95Å; Y330-V334 HydrophobicContact CE2-CG1 3.67Å; T331-V334 HydrophobicContact CG2-CB 4.5Å; T331-V334 HydrophobicContact CG2-CG2 3.66Å; T331-V334 VanDerWaalsContact O-CB 3.25Å; T331-V334 WeakPolarHBondContact O-CB 3.31Å; T331-V334 PolarHBondContact O-N 2.83Å; Q332-V334 PolarHBondContact O-N 3.06Å; V334-V336 PolarHBondContact O-N 2.89Å; V334-V336 VanDerWaalsContact O-N 3.16Å; V334-M337 HydrophobicContact CG1-CE 4.33Å; V334-M337 HydrophobicContact CG1-SD 4.43Å; V334-M337 VanDerWaalsContact O-CB 3.3Å; V334-M337 WeakPolarHBondContact O-CB 2.95Å; V334-M337 PolarHBondContact O-N 3.17Å; V334-M337 VanDerWaalsContact O-N 3.1Å; V334-P338 WeakPolarHBondContact O-CD 3.24Å; V334-I404 HydrophobicContact CG2-CG2 3.95Å; V334-Y408 HydrophobicContact CG1-CD1 3.99Å; V334-Y408 HydrophobicContact CG1-CD2 4.34Å; V334-Y408 HydrophobicContact CG1-CG 3.82Å; V334-Y408 HydrophobicContact CG2-CD2 4Å; V334-Y408 HydrophobicContact CG2-CG 4.24Å |
| 335 | A | 90.2 | Very high | 91.5 | Very high | 15 Ų | 15 | 20.4 Ų | 20.4 | 12% | 0.124 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -64.2 | -19.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L266 Q332 I333 P338 F339 | L266-A335 HydrophobicContact CD1-CB 4.31Å; Q332-A335 WeakPolarHBondContact O-CB 3.26Å; Q332-A335 PolarHBondContact O-N 3.36Å; I333-A335 PolarHBondContact O-N 3.37Å; A335-P338 WeakPolarHBondContact O-CD 3.44Å; A335-F339 WeakPolarHBondContact O-CE2 3.32Å |
| 336 | V | 90.2 | Very high | 91.4 | Very high | 4 Ų | 4 | 16.1 Ų | 16.1 | 2% | 0.024 | 10% | 0.104 | C | C | . | . | G | 310 helix | trans | -83.7 | -27.7 | 175.5 | -172.1 | 0 | 0 | 0 | 0 | 112.1 | L266 I333 V334 P338 F339 L845 F856 | L266-V336 HydrophobicContact CD1-CG2 3.76Å; L266-V336 HydrophobicContact CD2-CG2 4.38Å; I333-V336 PolarHBondContact O-N 3.38Å; V334-V336 PolarHBondContact O-N 2.89Å; V334-V336 VanDerWaalsContact O-N 3.16Å; V336-P338 VanDerWaalsContact C-CD 3.49Å; V336-F339 PolarHBondContact O-N 2.61Å; V336-L845 HydrophobicContact CG1-CD1 3.9Å; V336-F856 HydrophobicContact CG1-CD1 3.46Å; V336-F856 VanDerWaalsContact CG1-CD1 3.46Å; V336-F856 HydrophobicContact CG1-CD2 4.06Å; V336-F856 HydrophobicContact CG1-CE1 3.29Å; V336-F856 HydrophobicContact CG1-CE2 3.92Å; V336-F856 HydrophobicContact CG1-CG 3.85Å; V336-F856 HydrophobicContact CG1-CZ 3.54Å |
| 337 | M | 92.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -52.2 | -44.3 | -178.6 | 174 | -152.8 | 71.8 | 0 | 0 | 113.7 | V316 V320 V334 F339 L340 V341 F405 Y408 T409 A412 | V316-M337 HydrophobicContact CG1-CE 3.76Å; V320-M337 HydrophobicContact CG2-CE 3.97Å; V334-M337 HydrophobicContact CG1-CE 4.33Å; V334-M337 HydrophobicContact CG1-SD 4.43Å; V334-M337 VanDerWaalsContact O-CB 3.3Å; V334-M337 WeakPolarHBondContact O-CB 2.95Å; V334-M337 PolarHBondContact O-N 3.17Å; V334-M337 VanDerWaalsContact O-N 3.1Å; M337-F339 VanDerWaalsContact C-N 3.34Å; M337-F339 PolarHBondContact O-N 2.87Å; M337-L340 WeakPolarHBondContact O-CB 3.32Å; M337-L340 PolarHBondContact O-N 2.86Å; M337-L340 VanDerWaalsContact O-N 3.11Å; M337-V341 HydrophobicContact CG-CG2 3.75Å; M337-V341 WeakPolarHBondContact O-CG2 3.15Å; M337-V341 PolarHBondContact O-N 3.11Å; M337-F405 HydrophobicContact CB-CE2 3.84Å; M337-F405 HydrophobicContact CB-CZ 4.24Å; M337-Y408 VanDerWaalsContact SD-C 3.53Å; M337-T409 HydrophobicContact CG-CG2 4.34Å; M337-T409 WeakPolarHBondContact CG-OG1 3.28Å; M337-T409 VanDerWaalsContact SD-CA 3.57Å; M337-A412 HydrophobicContact CE-CB 4.17Å; M337-A412 HydrophobicContact SD-CB 3.94Å |
| 338 | P | 92.7 | Very high | 91.3 | Very high | 15 Ų | 15 | 9.6 Ų | 9.6 | 10% | 0.097 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -59.6 | -38.3 | -178.7 | -27.8 | 36.3 | 0 | 0 | 0 | 114.5 | F270 V316 V334 A335 V336 L340 V342 | F270-P338 HydrophobicContact CD2-CB 4.03Å; F270-P338 HydrophobicContact CE2-CB 3.39Å; F270-P338 HydrophobicContact CE2-CG 4.4Å; F270-P338 HydrophobicContact CZ-CB 4.31Å; V316-P338 HydrophobicContact CG1-CB 3.89Å; V316-P338 HydrophobicContact CG1-CG 3.86Å; V334-P338 WeakPolarHBondContact O-CD 3.24Å; A335-P338 WeakPolarHBondContact O-CD 3.44Å; V336-P338 VanDerWaalsContact C-CD 3.49Å; P338-L340 PolarHBondContact O-N 3.29Å; P338-V342 VanDerWaalsContact O-CB 3.3Å; P338-V342 WeakPolarHBondContact O-CB 3.32Å; P338-V342 WeakPolarHBondContact O-CG2 3.4Å; P338-V342 PolarHBondContact O-N 2.83Å |
| 339 | F | 91.8 | Very high | 91.3 | Very high | 3 Ų | 3 | 6.5 Ų | 6.5 | 1% | 0.013 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -59.6 | -38.6 | 177.1 | -65.5 | -94.8 | 0 | 0 | 0 | 111.2 | R269 F270 C273 A335 V336 M337 S343 L845 | R269-F339 HydrophobicContact CB-CE1 4.14Å; R269-F339 HydrophobicContact CB-CZ 4.11Å; R269-F339 WeakPolarHBondContact O-CE1 3.37Å; F270-F339 VanDerWaalsContact CA-CZ 3.48Å; F270-F339 HydrophobicContact CB-CE1 4.38Å; F270-F339 HydrophobicContact CB-CE2 4.46Å; F270-F339 HydrophobicContact CB-CZ 3.86Å; F270-F339 HydrophobicContact CD2-CE2 4.33Å; F270-F339 HydrophobicContact CD2-CZ 4.32Å; C273-F339 HydrophobicContact CB-CD1 3.56Å; C273-F339 HydrophobicContact CB-CE1 3.71Å; A335-F339 WeakPolarHBondContact O-CE2 3.32Å; V336-F339 PolarHBondContact O-N 2.61Å; M337-F339 VanDerWaalsContact C-N 3.34Å; M337-F339 PolarHBondContact O-N 2.87Å; F339-S343 VanDerWaalsContact O-CB 3.24Å; F339-S343 WeakPolarHBondContact O-CB 3.22Å; F339-S343 PolarHBondContact O-N 3.24Å; F339-S343 PolarHBondContact O-OG 2.98Å; F339-L845 HydrophobicContact CD1-CD2 4.25Å; F339-L845 HydrophobicContact CE1-CD2 4.23Å; F339-L845 HydrophobicContact CE2-CD2 4.5Å; F339-L845 HydrophobicContact CG-CD2 4.4Å; F339-L845 HydrophobicContact CZ-CD2 4.35Å |
| 340 | L | 90.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -74 | -57.4 | 179.7 | -170.3 | 69.9 | 0 | 0 | 0 | 111.6 | M337 P338 V342 S343 V344 M792 F796 V842 F856 V860 | M337-L340 WeakPolarHBondContact O-CB 3.32Å; M337-L340 PolarHBondContact O-N 2.86Å; M337-L340 VanDerWaalsContact O-N 3.11Å; P338-L340 PolarHBondContact O-N 3.29Å; L340-V342 VanDerWaalsContact C-N 3.35Å; L340-V342 PolarHBondContact O-N 2.88Å; L340-S343 PolarHBondContact O-N 3.48Å; L340-S343 PolarHBondContact O-OG 3.01Å; L340-V344 HydrophobicContact CD1-CG2 4.36Å; L340-V344 HydrophobicContact CG-CG2 4.47Å; L340-V344 WeakPolarHBondContact O-CB 3.49Å; L340-V344 WeakPolarHBondContact O-CG2 3.45Å; L340-V344 PolarHBondContact O-N 3.43Å; L340-M792 HydrophobicContact CD1-SD 3.65Å; L340-M792 HydrophobicContact CD2-CG 3.9Å; L340-M792 HydrophobicContact CD2-SD 3.32Å; L340-M792 WeakPolarHBondContact CD2-SD 3.25Å; L340-M792 HydrophobicContact CG-SD 4.04Å; L340-F796 HydrophobicContact CD1-CE2 3.64Å; L340-F796 HydrophobicContact CD1-CZ 4.4Å; L340-F796 HydrophobicContact CD2-CE2 3.67Å; L340-F796 HydrophobicContact CD2-CZ 3.86Å; L340-F796 HydrophobicContact CG-CE2 3.63Å; L340-F796 HydrophobicContact CG-CZ 3.91Å; L340-V842 HydrophobicContact CD1-CG2 4.49Å; L340-F856 HydrophobicContact CB-CZ 4.34Å; L340-F856 HydrophobicContact CD1-CZ 4.3Å; L340-F856 HydrophobicContact CD2-CZ 4.13Å; L340-F856 HydrophobicContact CG-CZ 4.5Å; L340-V860 HydrophobicContact CD1-CG1 4.05Å; L340-V860 HydrophobicContact CD1-CG2 4.29Å |
| 341 | V | 93.2 | Very high | 91.3 | Very high | 4 Ų | 4 | 3.7 Ų | 3.7 | 2% | 0.024 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -63.4 | -41.1 | -172.7 | 176 | 0 | 0 | 0 | 0 | 111.2 | V316 M337 R345 T409 A412 T416 | V316-V341 HydrophobicContact CG2-CB 3.94Å; V316-V341 HydrophobicContact CG2-CG1 3.65Å; M337-V341 HydrophobicContact CG-CG2 3.75Å; M337-V341 WeakPolarHBondContact O-CG2 3.15Å; M337-V341 PolarHBondContact O-N 3.11Å; V341-R345 HydrophobicContact CG1-CG 4.03Å; V341-R345 WeakPolarHBondContact O-CB 3.25Å; V341-R345 WeakPolarHBondContact O-CG 3.24Å; V341-R345 PolarHBondContact O-N 3.3Å; V341-T409 HydrophobicContact CG2-CG2 4.17Å; V341-A412 HydrophobicContact CG1-CB 4.17Å; V341-A412 HydrophobicContact CG2-CB 4.25Å; V341-T416 HydrophobicContact CG1-CG2 4.15Å |
| 342 | V | 93.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 3.8 Ų | 3.8 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -65.3 | -43.1 | 178.7 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | F274 L277 V309 A312 V316 P338 L340 L346 | F274-V342 HydrophobicContact CE1-CG1 4.3Å; F274-V342 HydrophobicContact CE2-CB 4.45Å; F274-V342 HydrophobicContact CE2-CG1 4.15Å; F274-V342 HydrophobicContact CE2-CG2 3.99Å; F274-V342 HydrophobicContact CZ-CB 4.36Å; F274-V342 HydrophobicContact CZ-CG1 3.88Å; F274-V342 HydrophobicContact CZ-CG2 3.7Å; L277-V342 HydrophobicContact CD1-CG1 3.92Å; V309-V342 HydrophobicContact CG1-CG1 4.08Å; A312-V342 HydrophobicContact CB-CG1 4.3Å; A312-V342 HydrophobicContact CB-CG2 4.43Å; V316-V342 HydrophobicContact CG2-CG2 4.04Å; P338-V342 VanDerWaalsContact O-CB 3.3Å; P338-V342 WeakPolarHBondContact O-CB 3.32Å; P338-V342 WeakPolarHBondContact O-CG2 3.4Å; P338-V342 PolarHBondContact O-N 2.83Å; L340-V342 VanDerWaalsContact C-N 3.35Å; L340-V342 PolarHBondContact O-N 2.88Å; V342-L346 PolarHBondContact O-N 3.32Å |
| 343 | S | 91.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 3.9 Ų | 3.9 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -74.8 | -37.8 | -176.4 | 66.8 | 0 | 0 | 0 | 0 | 112.6 | F339 L340 | F339-S343 VanDerWaalsContact O-CB 3.24Å; F339-S343 WeakPolarHBondContact O-CB 3.22Å; F339-S343 PolarHBondContact O-N 3.24Å; F339-S343 PolarHBondContact O-OG 2.98Å; L340-S343 PolarHBondContact O-N 3.48Å; L340-S343 PolarHBondContact O-OG 3.01Å |
| 344 | V | 91.2 | Very high | 91.6 | Very high | 5 Ų | 5 | 4.4 Ų | 4.4 | 3% | 0.03 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -65 | -60 | 173.2 | 174.1 | 0 | 0 | 0 | 0 | 109 | L340 L346 D347 F796 T838 | L340-V344 HydrophobicContact CD1-CG2 4.36Å; L340-V344 HydrophobicContact CG-CG2 4.47Å; L340-V344 WeakPolarHBondContact O-CB 3.49Å; L340-V344 WeakPolarHBondContact O-CG2 3.45Å; L340-V344 PolarHBondContact O-N 3.43Å; V344-L346 PolarHBondContact O-N 3.44Å; V344-D347 WeakPolarHBondContact O-CB 3.49Å; V344-D347 PolarHBondContact O-N 3.2Å; V344-F796 HydrophobicContact CB-CE1 4.33Å; V344-F796 HydrophobicContact CB-CZ 4.23Å; V344-F796 HydrophobicContact CG1-CD1 4.05Å; V344-F796 HydrophobicContact CG1-CE1 3.78Å; V344-F796 HydrophobicContact CG1-CZ 4.18Å; V344-F796 HydrophobicContact CG2-CD1 4.48Å; V344-F796 HydrophobicContact CG2-CD2 4.1Å; V344-F796 HydrophobicContact CG2-CE1 4.1Å; V344-F796 HydrophobicContact CG2-CE2 3.65Å; V344-F796 HydrophobicContact CG2-CZ 3.68Å; V344-T838 HydrophobicContact CG2-CG2 3.8Å |
| 345 | R | 92.7 | Very high | 91.5 | Very high | 3 Ų | 3 | 4.4 Ų | 4.4 | 1% | 0.011 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -59 | -14 | -174.9 | -65.6 | -62.4 | 85.1 | 133.6 | 0.7 | 115.6 | A312 V341 D347 N348 D387 Q420 D799 | A312-R345 HydrophobicContact CB-CB 4.38Å; V341-R345 HydrophobicContact CG1-CG 4.03Å; V341-R345 WeakPolarHBondContact O-CB 3.25Å; V341-R345 WeakPolarHBondContact O-CG 3.24Å; V341-R345 PolarHBondContact O-N 3.3Å; R345-D347 WeakPolarHBondContact CA-OD1 3.41Å; R345-D347 PolarHBondContact O-N 2.89Å; R345-N348 PolarHBondContact O-N 2.92Å; R345-D387 IonicContact CZ-OD2 2.77Å; R345-D387 IonicContact NH1-OD2 2.76Å; R345-D387 PolarHBondContact NH1-OD2 3.33Å; R345-D387 IonicContact NH2-OD2 3.25Å; R345-D387 PolarHBondContact NH2-OD2 3.3Å; R345-Q420 PolarHBondContact O-NE2 3.3Å; R345-Q420 VanDerWaalsContact O-NE2 3.07Å; R345-D799 IonicContact NH2-OD2 3.75Å |
| 346 | L | 92 | Very high | 91.5 | Very high | 0 Ų | 0 | 3.7 Ų | 3.7 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -63.3 | -27.2 | 168.5 | -174 | 60.8 | 0 | 0 | 0 | 112 | L277 A281 V309 V342 V344 N348 T349 F350 | L277-L346 HydrophobicContact CD2-CD2 4.38Å; A281-L346 HydrophobicContact CB-CD1 4.08Å; A281-L346 HydrophobicContact CB-CD2 3.98Å; V309-L346 HydrophobicContact CG2-CD1 3.63Å; V309-L346 HydrophobicContact CG2-CD2 4.09Å; V309-L346 HydrophobicContact CG2-CG 4.45Å; V342-L346 PolarHBondContact O-N 3.32Å; V344-L346 PolarHBondContact O-N 3.44Å; L346-N348 VanDerWaalsContact C-N 3.35Å; L346-N348 PolarHBondContact O-N 3.28Å; L346-T349 VanDerWaalsContact O-CB 3.24Å; L346-T349 WeakPolarHBondContact O-CB 3.25Å; L346-T349 PolarHBondContact O-N 3.37Å; L346-T349 VanDerWaalsContact O-N 3.09Å; L346-F350 HydrophobicContact CD1-CE2 4.46Å; L346-F350 HydrophobicContact CD1-CZ 4.38Å; L346-F350 HydrophobicContact CD2-CE2 3.9Å; L346-F350 HydrophobicContact CD2-CZ 4.02Å; L346-F350 HydrophobicContact CG-CD2 4.29Å; L346-F350 HydrophobicContact CG-CE2 3.64Å; L346-F350 HydrophobicContact CG-CZ 3.95Å; L346-F350 WeakPolarHBondContact O-CD2 3.32Å; L346-F350 PolarHBondContact O-N 3.35Å; L346-F350 VanDerWaalsContact O-N 3.17Å |
| 347 | D | 91 | Very high | 91.2 | Very high | 10 Ų | 10 | 5.2 Ų | 5.2 | 5% | 0.053 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -52.4 | -46.5 | 173.1 | 69.2 | -16.9 | 0 | 0 | 0 | 113.3 | V344 R345 T349 F350 L351 | V344-D347 WeakPolarHBondContact O-CB 3.49Å; V344-D347 PolarHBondContact O-N 3.2Å; R345-D347 WeakPolarHBondContact CA-OD1 3.41Å; R345-D347 PolarHBondContact O-N 2.89Å; D347-T349 PolarHBondContact O-N 3.02Å; D347-F350 PolarHBondContact O-N 3.4Å; D347-F350 VanDerWaalsContact O-N 3.08Å; D347-L351 PolarHBondContact O-N 3.24Å |
| 348 | N | 92 | Very high | 90.8 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -64.4 | -33.9 | -179.8 | -69.8 | -22.7 | 0 | 0 | 0 | 110.1 | R345 L346 L351 M352 I380 Q420 | R345-N348 PolarHBondContact O-N 2.92Å; L346-N348 VanDerWaalsContact C-N 3.35Å; L346-N348 PolarHBondContact O-N 3.28Å; N348-L351 PolarHBondContact O-N 3.08Å; N348-M352 VanDerWaalsContact O-CG 3.26Å; N348-M352 WeakPolarHBondContact O-CG 3.21Å; N348-M352 PolarHBondContact O-N 2.76Å; N348-I380 HydrophobicContact CB-CD1 4.11Å; N348-I380 HydrophobicContact CB-CG1 4.06Å; N348-I380 HydrophobicContact CB-CG2 4.32Å; N348-Q420 PolarHBondContact ND2-NE2 2.93Å; N348-Q420 PolarHBondContact ND2-OE1 3.04Å |
| 349 | T | 93.2 | Very high | 90.4 | Very high | 2 Ų | 2 | 6.7 Ų | 6.7 | 1% | 0.012 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -64.9 | -46 | 174.3 | -54.5 | 0 | 0 | 0 | 0 | 110.5 | L346 D347 L351 M352 I353 M424 | L346-T349 VanDerWaalsContact O-CB 3.24Å; L346-T349 WeakPolarHBondContact O-CB 3.25Å; L346-T349 PolarHBondContact O-N 3.37Å; L346-T349 VanDerWaalsContact O-N 3.09Å; D347-T349 PolarHBondContact O-N 3.02Å; T349-L351 VanDerWaalsContact C-N 3.33Å; T349-L351 PolarHBondContact O-N 3.49Å; T349-M352 PolarHBondContact O-N 3.24Å; T349-I353 HydrophobicContact CG2-CD1 4.04Å; T349-I353 VanDerWaalsContact O-CG1 3.27Å; T349-I353 WeakPolarHBondContact O-CG1 3.47Å; T349-I353 PolarHBondContact O-N 3.28Å; T349-M424 HydrophobicContact CG2-CE 3.53Å; T349-M424 HydrophobicContact CG2-SD 4.04Å; T349-M424 WeakPolarHBondContact OG1-CE 3.38Å |
| 350 | F | 92.4 | Very high | 89.9 | Confident | 1 Ų | 1 | 7.2 Ų | 7.2 | 0% | 0.004 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -64.7 | -37.1 | 176 | -64.1 | -50.9 | 0 | 0 | 0 | 112.4 | F280 A281 C284 T285 L346 D347 I353 S354 P830 Q833 | F280-F350 HydrophobicContact CE1-CE2 4.3Å; F280-F350 HydrophobicContact CE1-CZ 4.23Å; A281-F350 HydrophobicContact CB-CZ 4.16Å; C284-F350 HydrophobicContact CB-CE1 3.83Å; C284-F350 HydrophobicContact CB-CZ 4.11Å; T285-F350 HydrophobicContact CG2-CE1 4.25Å; L346-F350 HydrophobicContact CD1-CE2 4.46Å; L346-F350 HydrophobicContact CD1-CZ 4.38Å; L346-F350 HydrophobicContact CD2-CE2 3.9Å; L346-F350 HydrophobicContact CD2-CZ 4.02Å; L346-F350 HydrophobicContact CG-CD2 4.29Å; L346-F350 HydrophobicContact CG-CE2 3.64Å; L346-F350 HydrophobicContact CG-CZ 3.95Å; L346-F350 WeakPolarHBondContact O-CD2 3.32Å; L346-F350 PolarHBondContact O-N 3.35Å; L346-F350 VanDerWaalsContact O-N 3.17Å; D347-F350 PolarHBondContact O-N 3.4Å; D347-F350 VanDerWaalsContact O-N 3.08Å; F350-I353 PolarHBondContact O-N 3.04Å; F350-S354 VanDerWaalsContact O-CB 3.3Å; F350-S354 WeakPolarHBondContact O-CB 3.37Å; F350-S354 PolarHBondContact O-N 3.38Å; F350-P830 HydrophobicContact CB-CB 4.47Å; F350-Q833 HydrophobicContact CB-CB 4.29Å; F350-Q833 HydrophobicContact CD1-CB 4.37Å; F350-Q833 HydrophobicContact CD2-CB 3.67Å; F350-Q833 HydrophobicContact CE2-CB 3.99Å; F350-Q833 HydrophobicContact CG-CB 3.87Å; F350-Q833 HydrophobicContact CZ-CB 4.49Å |
| 351 | L | 90.7 | Very high | 89.1 | Confident | 5 Ų | 5 | 8.9 Ų | 8.9 | 3% | 0.026 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -63.2 | -44.6 | 175 | 179.7 | 58.6 | 0 | 0 | 0 | 112.1 | D347 N348 T349 S354 A355 A376 I380 H803 M827 | D347-L351 PolarHBondContact O-N 3.24Å; N348-L351 PolarHBondContact O-N 3.08Å; T349-L351 VanDerWaalsContact C-N 3.33Å; T349-L351 PolarHBondContact O-N 3.49Å; L351-S354 PolarHBondContact O-N 2.99Å; L351-A355 WeakPolarHBondContact O-CB 3.04Å; L351-A355 PolarHBondContact O-N 2.92Å; L351-A376 HydrophobicContact CG-CB 4.45Å; L351-I380 HydrophobicContact CD2-CG1 3.9Å; L351-H803 WeakPolarHBondContact CD2-CE1 3.48Å; L351-M827 HydrophobicContact CD1-CE 3.53Å; L351-M827 HydrophobicContact CD1-SD 4.22Å |
| 352 | M | 91.7 | Very high | 88.2 | Confident | 3 Ų | 3 | 12.7 Ų | 12.7 | 2% | 0.015 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -60.4 | -44.8 | 174.4 | -71.4 | 173.4 | 69.8 | 0 | 0 | 111.5 | N348 T349 A355 V356 M373 I380 M424 M425 L428 | N348-M352 VanDerWaalsContact O-CG 3.26Å; N348-M352 WeakPolarHBondContact O-CG 3.21Å; N348-M352 PolarHBondContact O-N 2.76Å; T349-M352 PolarHBondContact O-N 3.24Å; M352-A355 PolarHBondContact O-N 3.3Å; M352-V356 WeakPolarHBondContact O-CG2 3.46Å; M352-V356 PolarHBondContact O-N 2.93Å; M352-M373 HydrophobicContact CE-CE 3.86Å; M352-M373 HydrophobicContact CE-SD 3.81Å; M352-M373 HydrophobicContact CG-CE 4.11Å; M352-M373 HydrophobicContact CG-SD 4.22Å; M352-M373 HydrophobicContact SD-CE 4.36Å; M352-I380 HydrophobicContact CG-CD1 3.63Å; M352-I380 HydrophobicContact SD-CD1 4.09Å; M352-M424 HydrophobicContact CE-CG 3.64Å; M352-M424 HydrophobicContact SD-CG 3.73Å; M352-M425 HydrophobicContact CE-CB 4.4Å; M352-L428 HydrophobicContact CE-CD2 3.87Å |
| 353 | I | 89.9 | Confident | 87.7 | Confident | 5 Ų | 5 | 17.1 Ų | 17.1 | 3% | 0.026 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.3 | -46.6 | 178.4 | -69.5 | 170.9 | 0 | 0 | 0 | 111 | T285 L304 T349 F350 A355 V356 R357 | T285-I353 HydrophobicContact CG2-CD1 3.6Å; L304-I353 HydrophobicContact CD2-CD1 3.89Å; L304-I353 HydrophobicContact CD2-CG1 3.53Å; L304-I353 HydrophobicContact CG-CD1 4.3Å; L304-I353 HydrophobicContact CG-CG1 4.41Å; T349-I353 HydrophobicContact CG2-CD1 4.04Å; T349-I353 VanDerWaalsContact O-CG1 3.27Å; T349-I353 WeakPolarHBondContact O-CG1 3.47Å; T349-I353 PolarHBondContact O-N 3.28Å; F350-I353 PolarHBondContact O-N 3.04Å; I353-A355 VanDerWaalsContact C-N 3.31Å; I353-A355 PolarHBondContact O-N 2.68Å; I353-V356 PolarHBondContact O-N 3.22Å; I353-R357 HydrophobicContact CG2-CG 4.4Å; I353-R357 WeakPolarHBondContact O-CG 3.41Å; I353-R357 PolarHBondContact O-N 2.99Å |
| 354 | S | 88.6 | Confident | 87.5 | Confident | 17 Ų | 17 | 18.4 Ų | 18.4 | 12% | 0.119 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59.8 | -41.9 | 177.1 | 176.9 | 0 | 0 | 0 | 0 | 111.4 | F350 L351 V356 R357 R358 | F350-S354 VanDerWaalsContact O-CB 3.3Å; F350-S354 WeakPolarHBondContact O-CB 3.37Å; F350-S354 PolarHBondContact O-N 3.38Å; L351-S354 PolarHBondContact O-N 2.99Å; S354-V356 PolarHBondContact O-N 3.48Å; S354-R357 PolarHBondContact O-N 3.2Å; S354-R358 WeakPolarHBondContact O-CG 3.34Å; S354-R358 PolarHBondContact O-N 3.09Å; S354-R358 PolarHBondContact O-NE 2.96Å |
| 355 | A | 89.8 | Confident | 87.3 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.1 | -43.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L351 M352 I353 R358 A372 A376 | L351-A355 WeakPolarHBondContact O-CB 3.04Å; L351-A355 PolarHBondContact O-N 2.92Å; M352-A355 PolarHBondContact O-N 3.3Å; I353-A355 VanDerWaalsContact C-N 3.31Å; I353-A355 PolarHBondContact O-N 2.68Å; A355-R358 PolarHBondContact O-N 3.45Å; A355-A372 HydrophobicContact CB-CB 4.08Å; A355-A376 HydrophobicContact CB-CB 3.74Å |
| 356 | V | 89.6 | Confident | 87.2 | Confident | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.006 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -68.1 | -39.8 | 178.3 | 168.7 | 0 | 0 | 0 | 0 | 112.5 | M352 I353 S354 R358 T359 A372 L428 L432 | M352-V356 WeakPolarHBondContact O-CG2 3.46Å; M352-V356 PolarHBondContact O-N 2.93Å; I353-V356 PolarHBondContact O-N 3.22Å; S354-V356 PolarHBondContact O-N 3.48Å; V356-R358 PolarHBondContact O-N 3.44Å; V356-T359 WeakPolarHBondContact O-CB 3.43Å; V356-T359 PolarHBondContact O-N 3.47Å; V356-T359 PolarHBondContact O-OG1 2.95Å; V356-A372 HydrophobicContact CB-CB 4.35Å; V356-A372 HydrophobicContact CG2-CB 3.51Å; V356-L428 HydrophobicContact CG1-CD1 4.46Å; V356-L428 HydrophobicContact CG2-CD1 4.01Å; V356-L428 HydrophobicContact CG2-CD2 3.87Å; V356-L428 HydrophobicContact CG2-CG 4.36Å; V356-L432 HydrophobicContact CG1-CD1 4.09Å; V356-L432 HydrophobicContact CG1-CD2 3.59Å; V356-L432 HydrophobicContact CG1-CG 4.23Å |
| 357 | R | 85.4 | Confident | 87.2 | Confident | 35 Ų | 35 | 23.5 Ų | 23.5 | 13% | 0.132 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61 | -28.8 | 176.2 | -76 | -177.1 | 178.5 | -174.3 | -0.2 | 112.8 | T285 S287 I353 S354 T359 D501 | T285-R357 PolarHBondContact O-NH2 2.88Å; S287-R357 VanDerWaalsContact OG-CZ 3.24Å; S287-R357 PolarHBondContact OG-NH1 3.02Å; S287-R357 PolarHBondContact OG-NH2 3.33Å; I353-R357 HydrophobicContact CG2-CG 4.4Å; I353-R357 WeakPolarHBondContact O-CG 3.41Å; I353-R357 PolarHBondContact O-N 2.99Å; S354-R357 PolarHBondContact O-N 3.2Å; R357-T359 VanDerWaalsContact C-N 3.3Å; R357-T359 PolarHBondContact O-N 3.3Å; R357-D501 WeakPolarHBondContact CD-OD2 3.49Å; R357-D501 IonicContact CZ-OD2 2.73Å; R357-D501 IonicContact NE-OD2 3.26Å; R357-D501 IonicContact NH1-OD1 3.25Å; R357-D501 IonicContact NH1-OD2 3.16Å; R357-D501 PolarHBondContact NH1-OD2 3.48Å |
| 358 | R | 82.9 | Confident | 87.2 | Confident | 33 Ų | 33 | 23.3 Ų | 23.3 | 13% | 0.125 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -10.2 | 175.8 | -68.4 | 179.7 | -67.2 | 107.7 | -16.1 | 114.1 | S354 A355 V356 E375 I498 K826 | S354-R358 WeakPolarHBondContact O-CG 3.34Å; S354-R358 PolarHBondContact O-N 3.09Å; S354-R358 PolarHBondContact O-NE 2.96Å; A355-R358 PolarHBondContact O-N 3.45Å; V356-R358 PolarHBondContact O-N 3.44Å; R358-E375 IonicContact CZ-OE2 3.57Å; R358-E375 IonicContact NH1-OE2 3.77Å; R358-E375 PolarHBondContact NH1-OE2 3.05Å; R358-E375 IonicContact NH2-OE2 2.79Å; R358-E375 PolarHBondContact NH2-OE2 3.46Å; R358-I498 WeakPolarHBondContact O-CG2 3.35Å; R358-K826 VanDerWaalsContact NH2-CE 3.27Å |
| 359 | T | 85.7 | Confident | 87.3 | Confident | 13 Ų | 13 | 23.3 Ų | 23.3 | 8% | 0.08 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -81.3 | 148.8 | 176.7 | 66.7 | 0 | 0 | 0 | 0 | 111.3 | V356 R357 P361 R368 D371 A372 | V356-T359 WeakPolarHBondContact O-CB 3.43Å; V356-T359 PolarHBondContact O-N 3.47Å; V356-T359 PolarHBondContact O-OG1 2.95Å; R357-T359 VanDerWaalsContact C-N 3.3Å; R357-T359 PolarHBondContact O-N 3.3Å; T359-P361 WeakPolarHBondContact O-CD 3.46Å; T359-R368 PolarHBondContact OG1-NE 3.5Å; T359-D371 HydrophobicContact CG2-CB 4.3Å; T359-A372 HydrophobicContact CG2-CB 3.92Å |
| 360 | S | 80.5 | Confident | 87.3 | Confident | 14 Ų | 14 | 23.2 Ų | 23.2 | 10% | 0.098 | 12% | 0.117 | C | C | . | . | trans | -64.5 | 124.3 | 175.3 | 156.5 | 0 | 0 | 0 | 0 | 110.1 | Q362 K363 R368 | S360-Q362 PolarHBondContact O-N 2.97Å; S360-Q362 VanDerWaalsContact O-N 3.14Å; S360-Q362 PolarHBondContact OG-N 3.09Å; S360-Q362 PolarHBondContact OG-OE1 2.93Å; S360-K363 PolarHBondContact O-N 3.33Å; S360-R368 WeakPolarHBondContact O-CD 3.05Å; S360-R368 WeakPolarHBondContact O-CG 3.38Å | ||
| 361 | P | 74.4 | Confident | 87.2 | Confident | 36 Ų | 36 | 25.8 Ų | 25.8 | 23% | 0.234 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -19.8 | 176.4 | -25.3 | 35.2 | 0 | 0 | 0 | 114.3 | T359 K363 V485 | T359-P361 WeakPolarHBondContact O-CD 3.46Å; P361-K363 VanDerWaalsContact C-N 3.34Å; P361-V485 HydrophobicContact CB-CG1 3.77Å |
| 362 | Q | 73.9 | Confident | 87.2 | Confident | 84 Ų | 84 | 25.6 Ų | 25.6 | 39% | 0.393 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -17.6 | -178 | -61.8 | 77.5 | 19.3 | 0 | 0 | 113.6 | S360 | S360-Q362 PolarHBondContact O-N 2.97Å; S360-Q362 VanDerWaalsContact O-N 3.14Å; S360-Q362 PolarHBondContact OG-N 3.09Å; S360-Q362 PolarHBondContact OG-OE1 2.93Å |
| 363 | K | 81.7 | Confident | 87.3 | Confident | 92 Ų | 92 | 25.5 Ų | 25.5 | 40% | 0.4 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -70.5 | 158.1 | 177 | -75.2 | -178.8 | 177.6 | -176.6 | 0 | 111.6 | S360 P361 D367 R368 D371 | S360-K363 PolarHBondContact O-N 3.33Å; P361-K363 VanDerWaalsContact C-N 3.34Å; K363-D367 HydrophobicContact CB-CB 4.34Å; K363-R368 HydrophobicContact CB-CG 3.53Å; K363-D371 WeakPolarHBondContact CD-OD2 3.47Å; K363-D371 IonicContact NZ-OD2 2.87Å; K363-D371 PolarHBondContact NZ-OD2 2.88Å |
| 364 | S | 87.8 | Confident | 87.4 | Confident | 28 Ų | 28 | 26.4 Ų | 26.4 | 20% | 0.196 | 14% | 0.136 | C | C | . | . | trans | -59.7 | 158.4 | 172 | 77.4 | 0 | 0 | 0 | 0 | 110.7 | E366 D367 R368 | S364-E366 WeakPolarHBondContact CB-OE2 3.32Å; S364-E366 PolarHBondContact O-N 3.19Å; S364-E366 PolarHBondContact OG-OE2 3.5Å; S364-D367 PolarHBondContact O-N 2.87Å; S364-D367 WeakPolarHBondContact OG-CB 3.19Å; S364-D367 PolarHBondContact OG-N 2.87Å; S364-D367 PolarHBondContact OG-OD2 3.15Å; S364-R368 WeakPolarHBondContact O-CB 3.34Å; S364-R368 VanDerWaalsContact O-CG 3.3Å; S364-R368 WeakPolarHBondContact O-CG 3.39Å; S364-R368 PolarHBondContact O-N 3.26Å | ||
| 365 | V | 87.9 | Confident | 87.3 | Confident | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.024 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.7 | -38.9 | -178.7 | 174.1 | 0 | 0 | 0 | 0 | 109.8 | R368 I369 L432 R433 R436 | V365-R368 PolarHBondContact O-N 2.9Å; V365-I369 VanDerWaalsContact O-CG2 3.3Å; V365-I369 WeakPolarHBondContact O-CG2 3.27Å; V365-I369 PolarHBondContact O-N 3.46Å; V365-L432 HydrophobicContact CG1-CB 3.68Å; V365-L432 HydrophobicContact CG1-CD1 4.47Å; V365-R433 HydrophobicContact CG1-CG 4.16Å; V365-R433 HydrophobicContact CG2-CG 4.27Å; V365-R436 HydrophobicContact CG2-CB 4.24Å |
| 366 | E | 91.4 | Very high | 87.3 | Confident | 50 Ų | 50 | 27 Ų | 27 | 23% | 0.234 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.2 | -45.6 | 178.1 | -59 | 75 | -166.2 | 0 | 0 | 111.5 | R23 R27 S364 I369 G370 | R23-E366 HydrophobicContact CG-CB 4.45Å; R23-E366 VanDerWaalsContact CG-O 3.31Å; R23-E366 WeakPolarHBondContact CG-O 3.23Å; R27-E366 HydrophobicContact CG-CG 4.3Å; S364-E366 WeakPolarHBondContact CB-OE2 3.32Å; S364-E366 PolarHBondContact O-N 3.19Å; S364-E366 PolarHBondContact OG-OE2 3.5Å; E366-I369 WeakPolarHBondContact O-CG2 3.34Å; E366-G370 PolarHBondContact O-N 3.46Å |
| 367 | D | 91.4 | Very high | 87.4 | Confident | 60 Ų | 60 | 27 Ų | 27 | 32% | 0.321 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -71.6 | -35.3 | 178.6 | -63.2 | -46 | 0 | 0 | 0 | 111.7 | R23 K363 S364 D371 | R23-D367 IonicContact CZ-OD1 3.71Å; R23-D367 IonicContact NH1-OD1 3.58Å; R23-D367 PolarHBondContact NH1-OD1 3.07Å; R23-D367 IonicContact NH2-OD1 3.22Å; K363-D367 HydrophobicContact CB-CB 4.34Å; S364-D367 PolarHBondContact O-N 2.87Å; S364-D367 WeakPolarHBondContact OG-CB 3.19Å; S364-D367 PolarHBondContact OG-N 2.87Å; S364-D367 PolarHBondContact OG-OD2 3.15Å; D367-D371 WeakPolarHBondContact O-CB 3.4Å; D367-D371 PolarHBondContact O-N 3.29Å |
| 368 | R | 90.9 | Very high | 87.6 | Confident | 7 Ų | 7 | 25.4 Ų | 25.4 | 3% | 0.026 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.7 | -49.5 | 177.3 | -74.8 | -178.6 | 67.2 | -169.4 | -1.2 | 111.9 | T359 S360 K363 S364 V365 A372 E435 | T359-R368 PolarHBondContact OG1-NE 3.5Å; S360-R368 WeakPolarHBondContact O-CD 3.05Å; S360-R368 WeakPolarHBondContact O-CG 3.38Å; K363-R368 HydrophobicContact CB-CG 3.53Å; S364-R368 WeakPolarHBondContact O-CB 3.34Å; S364-R368 VanDerWaalsContact O-CG 3.3Å; S364-R368 WeakPolarHBondContact O-CG 3.39Å; S364-R368 PolarHBondContact O-N 3.26Å; V365-R368 PolarHBondContact O-N 2.9Å; R368-A372 WeakPolarHBondContact O-CB 3.46Å; R368-A372 PolarHBondContact O-N 3.11Å; R368-E435 IonicContact CZ-OE1 2.66Å; R368-E435 VanDerWaalsContact CZ-OE1 3.25Å; R368-E435 IonicContact NH1-OE1 3.76Å; R368-E435 PolarHBondContact NH1-OE1 3.38Å; R368-E435 IonicContact NH2-OE1 2.56Å; R368-E435 PolarHBondContact NH2-OE1 2.86Å; R368-E435 IonicContact NH2-OE2 3.25Å |
| 369 | I | 93 | Very high | 87.9 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -70.1 | -36.4 | 179.5 | -163.3 | 173.7 | 0 | 0 | 0 | 111.1 | V365 E366 A372 M373 M425 L428 A429 L432 | V365-I369 VanDerWaalsContact O-CG2 3.3Å; V365-I369 WeakPolarHBondContact O-CG2 3.27Å; V365-I369 PolarHBondContact O-N 3.46Å; E366-I369 WeakPolarHBondContact O-CG2 3.34Å; I369-A372 PolarHBondContact O-N 2.8Å; I369-M373 HydrophobicContact CG1-CG 3.78Å; I369-M373 VanDerWaalsContact O-CB 3.27Å; I369-M373 WeakPolarHBondContact O-CB 3.41Å; I369-M373 VanDerWaalsContact O-CG 3.25Å; I369-M373 WeakPolarHBondContact O-CG 3.5Å; I369-M373 PolarHBondContact O-N 3.17Å; I369-M425 HydrophobicContact CD1-CG 4.11Å; I369-L428 HydrophobicContact CD1-CD2 4.26Å; I369-L428 HydrophobicContact CD1-CG 4.28Å; I369-L428 HydrophobicContact CG1-CD2 4.32Å; I369-A429 HydrophobicContact CD1-CB 3.9Å; I369-L432 HydrophobicContact CB-CD1 4.14Å |
| 370 | G | 93.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -52.8 | -56.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D19 S22 E366 A372 M373 S374 | D19-G370 VanDerWaalsContact OD1-C 3.31Å; D19-G370 WeakPolarHBondContact OD1-CA 3.41Å; S22-G370 WeakPolarHBondContact OG-CA 3.36Å; E366-G370 PolarHBondContact O-N 3.46Å; G370-A372 PolarHBondContact O-N 3.24Å; G370-M373 PolarHBondContact O-N 3.01Å; G370-S374 VanDerWaalsContact O-CB 3.23Å; G370-S374 WeakPolarHBondContact O-CB 3.38Å; G370-S374 PolarHBondContact O-N 2.86Å |
| 371 | D | 90.4 | Very high | 88.6 | Confident | 54 Ų | 54 | 23.7 Ų | 23.7 | 29% | 0.289 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -61.5 | -44.7 | 179.1 | -69.6 | -21.1 | 0 | 0 | 0 | 112.1 | T359 K363 D367 S374 | T359-D371 HydrophobicContact CG2-CB 4.3Å; K363-D371 WeakPolarHBondContact CD-OD2 3.47Å; K363-D371 IonicContact NZ-OD2 2.87Å; K363-D371 PolarHBondContact NZ-OD2 2.88Å; D367-D371 WeakPolarHBondContact O-CB 3.4Å; D367-D371 PolarHBondContact O-N 3.29Å; D371-S374 PolarHBondContact O-OG 3.3Å |
| 372 | A | 91.6 | Very high | 89.2 | Confident | 2 Ų | 2 | 22.3 Ų | 22.3 | 2% | 0.017 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.8 | -45.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A355 V356 T359 R368 I369 G370 E375 A376 | A355-A372 HydrophobicContact CB-CB 4.08Å; V356-A372 HydrophobicContact CB-CB 4.35Å; V356-A372 HydrophobicContact CG2-CB 3.51Å; T359-A372 HydrophobicContact CG2-CB 3.92Å; R368-A372 WeakPolarHBondContact O-CB 3.46Å; R368-A372 PolarHBondContact O-N 3.11Å; I369-A372 PolarHBondContact O-N 2.8Å; G370-A372 PolarHBondContact O-N 3.24Å; A372-E375 PolarHBondContact O-N 3.26Å; A372-A376 WeakPolarHBondContact O-CB 3.25Å; A372-A376 PolarHBondContact O-N 2.91Å |
| 373 | M | 93.6 | Very high | 89.9 | Confident | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -77.4 | -27.4 | -176.9 | -63.7 | -50.3 | -50.3 | 0 | 0 | 112.6 | M352 I369 G370 E375 A376 A377 M425 L428 | M352-M373 HydrophobicContact CE-CE 3.86Å; M352-M373 HydrophobicContact CE-SD 3.81Å; M352-M373 HydrophobicContact CG-CE 4.11Å; M352-M373 HydrophobicContact CG-SD 4.22Å; M352-M373 HydrophobicContact SD-CE 4.36Å; I369-M373 HydrophobicContact CG1-CG 3.78Å; I369-M373 VanDerWaalsContact O-CB 3.27Å; I369-M373 WeakPolarHBondContact O-CB 3.41Å; I369-M373 VanDerWaalsContact O-CG 3.25Å; I369-M373 WeakPolarHBondContact O-CG 3.5Å; I369-M373 PolarHBondContact O-N 3.17Å; G370-M373 PolarHBondContact O-N 3.01Å; M373-E375 PolarHBondContact O-N 3.08Å; M373-A376 HydrophobicContact CE-CB 4.49Å; M373-A377 HydrophobicContact CE-CB 3.68Å; M373-A377 WeakPolarHBondContact O-CB 3.42Å; M373-A377 PolarHBondContact O-N 2.95Å; M373-M425 HydrophobicContact CE-CE 3.79Å; M373-M425 HydrophobicContact CG-CE 4.44Å; M373-M425 HydrophobicContact CG-SD 4.45Å; M373-L428 HydrophobicContact SD-CD2 4.13Å |
| 374 | S | 90.9 | Very high | 90.4 | Very high | 23 Ų | 23 | 14.1 Ų | 14.1 | 16% | 0.161 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -56 | -23.1 | 173.2 | 75.7 | 0 | 0 | 0 | 0 | 113.3 | S15 G370 D371 V378 | S15-S374 WeakPolarHBondContact CA-O 3.43Å; S15-S374 VanDerWaalsContact CB-O 3.3Å; S15-S374 WeakPolarHBondContact CB-O 3.49Å; S15-S374 PolarHBondContact OG-O 3.45Å; G370-S374 VanDerWaalsContact O-CB 3.23Å; G370-S374 WeakPolarHBondContact O-CB 3.38Å; G370-S374 PolarHBondContact O-N 2.86Å; D371-S374 PolarHBondContact O-OG 3.3Å; S374-V378 WeakPolarHBondContact O-CG2 3.26Å |
| 375 | E | 86.5 | Confident | 90.5 | Very high | 30 Ų | 30 | 15.8 Ų | 15.8 | 14% | 0.14 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -107.9 | -47.4 | 177.5 | 170.4 | 167.9 | -126.3 | 0 | 0 | 112.7 | R358 A372 M373 S379 K826 | R358-E375 IonicContact CZ-OE2 3.57Å; R358-E375 IonicContact NH1-OE2 3.77Å; R358-E375 PolarHBondContact NH1-OE2 3.05Å; R358-E375 IonicContact NH2-OE2 2.79Å; R358-E375 PolarHBondContact NH2-OE2 3.46Å; A372-E375 PolarHBondContact O-N 3.26Å; M373-E375 PolarHBondContact O-N 3.08Å; E375-S379 PolarHBondContact O-N 3.3Å; E375-S379 PolarHBondContact O-OG 3.43Å; E375-K826 VanDerWaalsContact OE1-CE 3.24Å; E375-K826 WeakPolarHBondContact OE1-CE 3.32Å; E375-K826 IonicContact OE1-NZ 3.62Å; E375-K826 PolarHBondContact OE1-NZ 3.32Å; E375-K826 WeakPolarHBondContact OE2-CE 3.44Å; E375-K826 IonicContact OE2-NZ 3.94Å; E375-K826 PolarHBondContact OE2-NZ 3.02Å |
| 376 | A | 90.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.008 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -68.4 | -44.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L351 A355 A372 M373 V378 S379 I380 | L351-A376 HydrophobicContact CG-CB 4.45Å; A355-A376 HydrophobicContact CB-CB 3.74Å; A372-A376 WeakPolarHBondContact O-CB 3.25Å; A372-A376 PolarHBondContact O-N 2.91Å; M373-A376 HydrophobicContact CE-CB 4.49Å; A376-V378 VanDerWaalsContact C-N 3.3Å; A376-V378 PolarHBondContact O-N 3.31Å; A376-S379 WeakPolarHBondContact O-CB 3.4Å; A376-S379 PolarHBondContact O-N 3.19Å; A376-S379 VanDerWaalsContact O-N 3.16Å; A376-I380 VanDerWaalsContact O-CG1 3.26Å; A376-I380 WeakPolarHBondContact O-CG1 3.23Å; A376-I380 PolarHBondContact O-N 3.02Å |
| 377 | A | 91.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -66.5 | -33.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F18 M373 S379 I380 T381 | F18-A377 HydrophobicContact CB-CB 3.89Å; F18-A377 HydrophobicContact CD1-CB 3.58Å; F18-A377 HydrophobicContact CD2-CB 3.46Å; F18-A377 VanDerWaalsContact CD2-CB 3.46Å; F18-A377 HydrophobicContact CE1-CB 3.87Å; F18-A377 HydrophobicContact CE2-CB 3.73Å; F18-A377 HydrophobicContact CG-CB 3.37Å; F18-A377 HydrophobicContact CZ-CB 3.95Å; M373-A377 HydrophobicContact CE-CB 3.68Å; M373-A377 WeakPolarHBondContact O-CB 3.42Å; M373-A377 PolarHBondContact O-N 2.95Å; A377-S379 VanDerWaalsContact C-N 3.35Å; A377-I380 PolarHBondContact O-N 3.19Å; A377-T381 WeakPolarHBondContact O-CB 3.41Å; A377-T381 PolarHBondContact O-N 3Å; A377-T381 PolarHBondContact O-OG1 2.96Å |
| 378 | V | 89.6 | Confident | 90.7 | Very high | 2 Ų | 2 | 11.8 Ų | 11.8 | 1% | 0.012 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -61.1 | -48.1 | 173.2 | 173.9 | 0 | 0 | 0 | 0 | 109.7 | E11 L14 F18 S374 A376 I380 T381 I382 | E11-V378 HydrophobicContact CG-CG1 4.27Å; L14-V378 HydrophobicContact CB-CG2 4.27Å; L14-V378 HydrophobicContact CD2-CB 4.44Å; L14-V378 HydrophobicContact CD2-CG1 4.24Å; L14-V378 HydrophobicContact CD2-CG2 4.22Å; L14-V378 HydrophobicContact CG-CG2 4.09Å; F18-V378 HydrophobicContact CD2-CG2 4.09Å; S374-V378 WeakPolarHBondContact O-CG2 3.26Å; A376-V378 VanDerWaalsContact C-N 3.3Å; A376-V378 PolarHBondContact O-N 3.31Å; V378-I380 PolarHBondContact O-N 3.04Å; V378-T381 PolarHBondContact O-N 2.89Å; V378-I382 HydrophobicContact CG1-CD1 4.28Å; V378-I382 VanDerWaalsContact O-CG1 3.32Å; V378-I382 WeakPolarHBondContact O-CG1 3.27Å; V378-I382 PolarHBondContact O-N 3.13Å; V378-I382 VanDerWaalsContact O-N 3.08Å |
| 379 | S | 89.1 | Confident | 90.7 | Very high | 5 Ų | 5 | 16.1 Ų | 16.1 | 4% | 0.035 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.8 | -42 | 178.9 | -54.2 | 0 | 0 | 0 | 0 | 111.8 | E375 A376 A377 I382 T383 H806 | E375-S379 PolarHBondContact O-N 3.3Å; E375-S379 PolarHBondContact O-OG 3.43Å; A376-S379 WeakPolarHBondContact O-CB 3.4Å; A376-S379 PolarHBondContact O-N 3.19Å; A376-S379 VanDerWaalsContact O-N 3.16Å; A377-S379 VanDerWaalsContact C-N 3.35Å; S379-I382 PolarHBondContact O-N 3.17Å; S379-T383 PolarHBondContact O-N 2.91Å; S379-H806 PolarHBondContact OG-ND1 2.91Å |
| 380 | I | 91 | Very high | 90.5 | Very high | 3 Ų | 3 | 16.1 Ų | 16.1 | 2% | 0.015 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -66.2 | -36.6 | 176.3 | -66.1 | 164.9 | 0 | 0 | 0 | 111.7 | N348 L351 M352 A376 A377 V378 I382 T383 V384 F417 | N348-I380 HydrophobicContact CB-CD1 4.11Å; N348-I380 HydrophobicContact CB-CG1 4.06Å; N348-I380 HydrophobicContact CB-CG2 4.32Å; L351-I380 HydrophobicContact CD2-CG1 3.9Å; M352-I380 HydrophobicContact CG-CD1 3.63Å; M352-I380 HydrophobicContact SD-CD1 4.09Å; A376-I380 VanDerWaalsContact O-CG1 3.26Å; A376-I380 WeakPolarHBondContact O-CG1 3.23Å; A376-I380 PolarHBondContact O-N 3.02Å; A377-I380 PolarHBondContact O-N 3.19Å; V378-I380 PolarHBondContact O-N 3.04Å; I380-I382 VanDerWaalsContact C-N 3.3Å; I380-I382 PolarHBondContact O-N 3.34Å; I380-T383 WeakPolarHBondContact CA-OG1 3.27Å; I380-T383 PolarHBondContact O-N 3.25Å; I380-T383 PolarHBondContact O-OG1 3.36Å; I380-V384 HydrophobicContact CG2-CG2 4.3Å; I380-V384 WeakPolarHBondContact O-CB 3.21Å; I380-V384 WeakPolarHBondContact O-CG2 3.42Å; I380-V384 PolarHBondContact O-N 3.44Å; I380-F417 HydrophobicContact CG2-CD2 4.19Å; I380-F417 HydrophobicContact CG2-CE2 4.12Å |
| 381 | T | 91 | Very high | 90.5 | Very high | 16 Ų | 16 | 16.1 Ų | 16.1 | 10% | 0.098 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -67.3 | -36.3 | 177.7 | -56.8 | 0 | 0 | 0 | 0 | 110.7 | L14 F18 A377 V378 L385 F417 | L14-T381 HydrophobicContact CD2-CG2 4.19Å; F18-T381 WeakPolarHBondContact CE2-OG1 3.15Å; F18-T381 WeakPolarHBondContact CZ-OG1 3.29Å; A377-T381 WeakPolarHBondContact O-CB 3.41Å; A377-T381 PolarHBondContact O-N 3Å; A377-T381 PolarHBondContact O-OG1 2.96Å; V378-T381 PolarHBondContact O-N 2.89Å; T381-L385 HydrophobicContact CG2-CD1 3.91Å; T381-L385 HydrophobicContact CG2-CG 4.28Å; T381-L385 VanDerWaalsContact O-CB 3.32Å; T381-L385 WeakPolarHBondContact O-CB 3.19Å; T381-L385 VanDerWaalsContact O-CG 3.22Å; T381-L385 WeakPolarHBondContact O-CG 3.03Å; T381-L385 PolarHBondContact O-N 3.46Å; T381-F417 HydrophobicContact CG2-CZ 4.38Å |
| 382 | I | 86.2 | Confident | 90.6 | Very high | 6 Ų | 6 | 15.2 Ų | 15.2 | 3% | 0.031 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.1 | -49.4 | 175.5 | -65 | 166.6 | 0 | 0 | 0 | 110.3 | V378 S379 I380 L385 T386 M750 A802 | V378-I382 HydrophobicContact CG1-CD1 4.28Å; V378-I382 VanDerWaalsContact O-CG1 3.32Å; V378-I382 WeakPolarHBondContact O-CG1 3.27Å; V378-I382 PolarHBondContact O-N 3.13Å; V378-I382 VanDerWaalsContact O-N 3.08Å; S379-I382 PolarHBondContact O-N 3.17Å; I380-I382 VanDerWaalsContact C-N 3.3Å; I380-I382 PolarHBondContact O-N 3.34Å; I382-L385 PolarHBondContact O-N 3.37Å; I382-T386 WeakPolarHBondContact O-CB 3.31Å; I382-T386 PolarHBondContact O-N 2.81Å; I382-T386 PolarHBondContact O-OG1 3.47Å; I382-M750 HydrophobicContact CD1-CB 3.78Å; I382-M750 HydrophobicContact CG1-CB 3.7Å; I382-M750 HydrophobicContact CG1-CG 3.93Å; I382-A802 HydrophobicContact CG2-CB 4.35Å |
| 383 | T | 89 | Confident | 90.6 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.3 | -48.4 | -179.5 | 55.1 | 0 | 0 | 0 | 0 | 111.8 | S379 I380 L385 T386 D387 D799 H803 | S379-T383 PolarHBondContact O-N 2.91Å; I380-T383 WeakPolarHBondContact CA-OG1 3.27Å; I380-T383 PolarHBondContact O-N 3.25Å; I380-T383 PolarHBondContact O-OG1 3.36Å; T383-L385 PolarHBondContact O-N 2.76Å; T383-T386 WeakPolarHBondContact O-CB 3.38Å; T383-T386 PolarHBondContact O-N 3Å; T383-D387 PolarHBondContact O-N 3.38Å; T383-D799 WeakPolarHBondContact CA-OD1 3.44Å; T383-D799 WeakPolarHBondContact CB-OD1 3.31Å; T383-D799 HydrophobicContact CG2-CB 3.99Å; T383-D799 VanDerWaalsContact CG2-OD1 3.23Å; T383-D799 WeakPolarHBondContact CG2-OD1 3.33Å; T383-H803 WeakPolarHBondContact CG2-CE1 3.41Å |
| 384 | V | 92.3 | Very high | 90.5 | Very high | 5 Ų | 5 | 16.5 Ų | 16.5 | 3% | 0.03 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.2 | -43.4 | 178.4 | 168.2 | 0 | 0 | 0 | 0 | 112.5 | I380 T386 D387 V388 I413 F417 | I380-V384 HydrophobicContact CG2-CG2 4.3Å; I380-V384 WeakPolarHBondContact O-CB 3.21Å; I380-V384 WeakPolarHBondContact O-CG2 3.42Å; I380-V384 PolarHBondContact O-N 3.44Å; V384-T386 VanDerWaalsContact C-N 3.34Å; V384-D387 PolarHBondContact O-N 3.46Å; V384-V388 HydrophobicContact CG1-CG2 4.27Å; V384-V388 WeakPolarHBondContact O-CB 3.2Å; V384-V388 WeakPolarHBondContact O-CG2 3.44Å; V384-V388 PolarHBondContact O-N 2.89Å; V384-I413 HydrophobicContact CG1-CG2 3.92Å; V384-F417 HydrophobicContact CB-CB 4.49Å; V384-F417 HydrophobicContact CB-CD2 4.06Å; V384-F417 HydrophobicContact CB-CE2 4.42Å; V384-F417 HydrophobicContact CB-CG 4.25Å; V384-F417 HydrophobicContact CG1-CB 3.74Å; V384-F417 HydrophobicContact CG1-CD1 4Å; V384-F417 HydrophobicContact CG1-CD2 4Å; V384-F417 HydrophobicContact CG1-CG 3.66Å; V384-F417 HydrophobicContact CG2-CB 4.03Å; V384-F417 HydrophobicContact CG2-CD2 3.64Å; V384-F417 HydrophobicContact CG2-CE2 4.3Å; V384-F417 HydrophobicContact CG2-CG 4.03Å |
| 385 | L | 90.2 | Very high | 90.6 | Very high | 63 Ų | 63 | 18.4 Ų | 18.4 | 33% | 0.33 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -63.2 | -44.6 | 177 | -75.7 | 174.1 | 0 | 0 | 0 | 111 | T381 I382 T383 D387 V388 F389 | T381-L385 HydrophobicContact CG2-CD1 3.91Å; T381-L385 HydrophobicContact CG2-CG 4.28Å; T381-L385 VanDerWaalsContact O-CB 3.32Å; T381-L385 WeakPolarHBondContact O-CB 3.19Å; T381-L385 VanDerWaalsContact O-CG 3.22Å; T381-L385 WeakPolarHBondContact O-CG 3.03Å; T381-L385 PolarHBondContact O-N 3.46Å; I382-L385 PolarHBondContact O-N 3.37Å; T383-L385 PolarHBondContact O-N 2.76Å; L385-D387 PolarHBondContact O-N 2.89Å; L385-V388 PolarHBondContact O-N 3.14Å; L385-F389 HydrophobicContact CD2-CE2 4.3Å; L385-F389 WeakPolarHBondContact O-CD2 3.44Å; L385-F389 PolarHBondContact O-N 2.54Å |
| 386 | T | 89.1 | Confident | 90.7 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.006 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -55.4 | -52 | 175.3 | -81.8 | 0 | 0 | 0 | 0 | 111.2 | I382 T383 V384 V388 F389 S390 M743 V798 | I382-T386 WeakPolarHBondContact O-CB 3.31Å; I382-T386 PolarHBondContact O-N 2.81Å; I382-T386 PolarHBondContact O-OG1 3.47Å; T383-T386 WeakPolarHBondContact O-CB 3.38Å; T383-T386 PolarHBondContact O-N 3Å; V384-T386 VanDerWaalsContact C-N 3.34Å; T386-V388 PolarHBondContact O-N 3.07Å; T386-F389 PolarHBondContact O-N 3.18Å; T386-S390 WeakPolarHBondContact O-CB 3.42Å; T386-S390 PolarHBondContact O-N 2.87Å; T386-S390 PolarHBondContact O-OG 2.95Å; T386-M743 HydrophobicContact CG2-CE 4.2Å; T386-M743 HydrophobicContact CG2-SD 3.21Å; T386-M743 WeakPolarHBondContact CG2-SD 3.41Å; T386-M743 PolarHBondContact OG1-SD 2.97Å; T386-M743 VanDerWaalsContact OG1-SD 3.38Å; T386-V798 HydrophobicContact CG2-CB 3.67Å; T386-V798 HydrophobicContact CG2-CG1 3.84Å; T386-V798 HydrophobicContact CG2-CG2 3.85Å |
| 387 | D | 91.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.1 | -43.8 | -179.4 | -63.5 | -37.6 | 0 | 0 | 0 | 112.5 | R345 T383 V384 L385 F389 S390 F391 I413 F796 | R345-D387 IonicContact CZ-OD2 2.77Å; R345-D387 IonicContact NH1-OD2 2.76Å; R345-D387 PolarHBondContact NH1-OD2 3.33Å; R345-D387 IonicContact NH2-OD2 3.25Å; R345-D387 PolarHBondContact NH2-OD2 3.3Å; T383-D387 PolarHBondContact O-N 3.38Å; V384-D387 PolarHBondContact O-N 3.46Å; L385-D387 PolarHBondContact O-N 2.89Å; D387-F389 VanDerWaalsContact C-N 3.3Å; D387-F389 PolarHBondContact O-N 3.26Å; D387-S390 PolarHBondContact O-N 2.77Å; D387-F391 HydrophobicContact CB-CD2 4.36Å; D387-F391 HydrophobicContact CB-CE2 4.47Å; D387-F391 WeakPolarHBondContact O-CD2 3.44Å; D387-F391 PolarHBondContact O-N 3.35Å; D387-I413 HydrophobicContact CB-CD1 3.67Å; D387-I413 HydrophobicContact CB-CG2 4.32Å; D387-F796 WeakPolarHBondContact OD1-CD1 3.39Å |
| 388 | V | 93.3 | Very high | 90.5 | Very high | 28 Ų | 28 | 26.5 Ų | 26.5 | 17% | 0.17 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.3 | -44.8 | 178.9 | 164.9 | 0 | 0 | 0 | 0 | 110.6 | V384 L385 T386 A392 T410 I413 V414 | V384-V388 HydrophobicContact CG1-CG2 4.27Å; V384-V388 WeakPolarHBondContact O-CB 3.2Å; V384-V388 WeakPolarHBondContact O-CG2 3.44Å; V384-V388 PolarHBondContact O-N 2.89Å; L385-V388 PolarHBondContact O-N 3.14Å; T386-V388 PolarHBondContact O-N 3.07Å; V388-A392 WeakPolarHBondContact O-CB 3.37Å; V388-A392 PolarHBondContact O-N 3.28Å; V388-T410 HydrophobicContact CG1-CG2 4.05Å; V388-I413 HydrophobicContact CG2-CB 4.23Å; V388-I413 HydrophobicContact CG2-CG2 3.63Å; V388-V414 HydrophobicContact CG2-CG2 3.73Å |
| 389 | F | 91.4 | Very high | 90.6 | Very high | 98 Ų | 98 | 26.4 Ų | 26.4 | 43% | 0.43 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -70.4 | -40.7 | 178.2 | -80.6 | -67.4 | 0 | 0 | 0 | 112.5 | L385 T386 D387 A392 L393 V742 M743 I746 | L385-F389 HydrophobicContact CD2-CE2 4.3Å; L385-F389 WeakPolarHBondContact O-CD2 3.44Å; L385-F389 PolarHBondContact O-N 2.54Å; T386-F389 PolarHBondContact O-N 3.18Å; D387-F389 VanDerWaalsContact C-N 3.3Å; D387-F389 PolarHBondContact O-N 3.26Å; F389-A392 PolarHBondContact O-N 2.98Å; F389-L393 WeakPolarHBondContact O-CG 3.46Å; F389-L393 PolarHBondContact O-N 2.97Å; F389-V742 HydrophobicContact CB-CG1 3.92Å; F389-V742 HydrophobicContact CG-CG1 4.2Å; F389-M743 HydrophobicContact CB-CE 4.23Å; F389-I746 HydrophobicContact CB-CD1 4.28Å; F389-I746 HydrophobicContact CD2-CD1 3.72Å; F389-I746 HydrophobicContact CG-CD1 4.3Å |
| 390 | S | 89.8 | Confident | 90.8 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.007 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.2 | -48.5 | 175.8 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | T386 D387 L393 G394 M743 I791 | T386-S390 WeakPolarHBondContact O-CB 3.42Å; T386-S390 PolarHBondContact O-N 2.87Å; T386-S390 PolarHBondContact O-OG 2.95Å; D387-S390 PolarHBondContact O-N 2.77Å; S390-L393 PolarHBondContact O-N 3Å; S390-G394 PolarHBondContact O-N 3.26Å; S390-M743 WeakPolarHBondContact OG-CE 3.4Å; S390-I791 WeakPolarHBondContact O-CG2 3.36Å |
| 391 | F | 92.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -71.4 | -33.9 | 177.1 | -72.8 | -68.1 | 0 | 0 | 0 | 112.5 | D387 L393 G394 I395 F405 C406 T409 T410 I413 I791 M792 F796 | D387-F391 HydrophobicContact CB-CD2 4.36Å; D387-F391 HydrophobicContact CB-CE2 4.47Å; D387-F391 WeakPolarHBondContact O-CD2 3.44Å; D387-F391 PolarHBondContact O-N 3.35Å; F391-L393 VanDerWaalsContact C-N 3.3Å; F391-L393 PolarHBondContact O-N 2.74Å; F391-G394 PolarHBondContact O-N 3.44Å; F391-G394 VanDerWaalsContact O-N 3.12Å; F391-I395 PolarHBondContact O-N 3.41Å; F391-F405 HydrophobicContact CE1-CE1 4.09Å; F391-C406 VanDerWaalsContact O-CB 3.27Å; F391-C406 WeakPolarHBondContact O-CB 3.38Å; F391-T409 HydrophobicContact CD1-CG2 3.91Å; F391-T409 HydrophobicContact CD2-CG2 3.75Å; F391-T409 HydrophobicContact CE1-CG2 3.81Å; F391-T409 HydrophobicContact CE2-CG2 3.65Å; F391-T409 HydrophobicContact CG-CG2 3.9Å; F391-T409 HydrophobicContact CZ-CG2 3.67Å; F391-T410 VanDerWaalsContact CB-OG1 3.29Å; F391-T410 WeakPolarHBondContact CB-OG1 3.45Å; F391-I413 HydrophobicContact CD2-CD1 3.39Å; F391-I413 HydrophobicContact CE2-CD1 3.66Å; F391-I413 HydrophobicContact CG-CD1 4.46Å; F391-I791 HydrophobicContact CD1-CG2 4.08Å; F391-I791 HydrophobicContact CE1-CG2 4.34Å; F391-M792 HydrophobicContact CE1-CB 4.17Å; F391-M792 HydrophobicContact CZ-CB 3.95Å; F391-M792 HydrophobicContact CZ-CG 4.14Å; F391-F796 HydrophobicContact CE2-CE1 4.41Å; F391-F796 HydrophobicContact CE2-CZ 4.45Å; F391-F796 HydrophobicContact CZ-CZ 4.43Å |
| 392 | A | 92.7 | Very high | 90.9 | Very high | 34 Ų | 34 | 25.3 Ų | 25.3 | 28% | 0.281 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -63.7 | -34.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V388 F389 G394 I395 | V388-A392 WeakPolarHBondContact O-CB 3.37Å; V388-A392 PolarHBondContact O-N 3.28Å; F389-A392 PolarHBondContact O-N 2.98Å; A392-G394 VanDerWaalsContact C-N 3.32Å; A392-I395 WeakPolarHBondContact O-CB 3.21Å; A392-I395 PolarHBondContact O-N 2.71Å |
| 393 | L | 91.6 | Very high | 91.2 | Very high | 31 Ų | 31 | 27.8 Ų | 27.8 | 16% | 0.162 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.4 | -40.4 | 172.4 | -72.8 | 173 | 0 | 0 | 0 | 111.4 | F389 S390 F391 I395 L396 E735 A738 V742 | F389-L393 WeakPolarHBondContact O-CG 3.46Å; F389-L393 PolarHBondContact O-N 2.97Å; S390-L393 PolarHBondContact O-N 3Å; F391-L393 VanDerWaalsContact C-N 3.3Å; F391-L393 PolarHBondContact O-N 2.74Å; L393-I395 PolarHBondContact O-N 2.84Å; L393-I395 VanDerWaalsContact O-N 3.14Å; L393-L396 HydrophobicContact CD2-CD1 4.44Å; L393-L396 WeakPolarHBondContact O-CB 3.4Å; L393-L396 PolarHBondContact O-N 2.92Å; L393-E735 WeakPolarHBondContact CB-OE1 3.41Å; L393-E735 WeakPolarHBondContact CB-OE2 3.39Å; L393-A738 HydrophobicContact CD1-CB 4.38Å; L393-V742 HydrophobicContact CD1-CB 4.48Å; L393-V742 HydrophobicContact CD1-CG2 4.11Å |
| 394 | G | 90.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.5 | -21.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | S390 F391 A392 L396 T397 E735 | S390-G394 PolarHBondContact O-N 3.26Å; F391-G394 PolarHBondContact O-N 3.44Å; F391-G394 VanDerWaalsContact O-N 3.12Å; A392-G394 VanDerWaalsContact C-N 3.32Å; G394-L396 PolarHBondContact O-N 3.12Å; G394-T397 WeakPolarHBondContact O-CB 3.45Å; G394-T397 VanDerWaalsContact O-CG2 3.26Å; G394-T397 WeakPolarHBondContact O-CG2 3.4Å; G394-T397 PolarHBondContact O-N 2.98Å; G394-T397 PolarHBondContact O-OG1 2.87Å; G394-E735 PolarHBondContact N-OE1 2.79Å |
| 395 | I | 92.6 | Very high | 91.6 | Very high | 63 Ų | 63 | 27.9 Ų | 27.9 | 32% | 0.323 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -25 | 173.5 | -57.5 | 173.8 | 0 | 0 | 0 | 111.3 | F391 A392 L393 T397 Q403 C406 A407 | F391-I395 PolarHBondContact O-N 3.41Å; A392-I395 WeakPolarHBondContact O-CB 3.21Å; A392-I395 PolarHBondContact O-N 2.71Å; L393-I395 PolarHBondContact O-N 2.84Å; L393-I395 VanDerWaalsContact O-N 3.14Å; I395-T397 PolarHBondContact O-N 3.02Å; I395-Q403 WeakPolarHBondContact O-CG 3.23Å; I395-C406 HydrophobicContact CG1-CB 3.84Å; I395-A407 HydrophobicContact CD1-CB 4.09Å; I395-A407 HydrophobicContact CG1-CB 4.31Å |
| 396 | L | 90.1 | Very high | 91.8 | Very high | 136 Ų | 136 | 24.9 Ų | 24.9 | 71% | 0.712 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -0.4 | -178.6 | -56.3 | 178.5 | 0 | 0 | 0 | 113.5 | L393 G394 | L393-L396 HydrophobicContact CD2-CD1 4.44Å; L393-L396 WeakPolarHBondContact O-CB 3.4Å; L393-L396 PolarHBondContact O-N 2.92Å; G394-L396 PolarHBondContact O-N 3.12Å |
| 397 | T | 89.4 | Confident | 92.2 | Very high | 8 Ų | 8 | 25.4 Ų | 25.4 | 5% | 0.049 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -76.4 | 156.4 | -178.7 | 64.1 | 0 | 0 | 0 | 0 | 111 | G394 I395 I399 V402 Q403 M787 | G394-T397 WeakPolarHBondContact O-CB 3.45Å; G394-T397 VanDerWaalsContact O-CG2 3.26Å; G394-T397 WeakPolarHBondContact O-CG2 3.4Å; G394-T397 PolarHBondContact O-N 2.98Å; G394-T397 PolarHBondContact O-OG1 2.87Å; I395-T397 PolarHBondContact O-N 3.02Å; T397-I399 VanDerWaalsContact C-N 3.28Å; T397-I399 PolarHBondContact O-N 3.32Å; T397-V402 HydrophobicContact CG2-CG1 4.38Å; T397-Q403 VanDerWaalsContact O-CD 3.22Å; T397-Q403 WeakPolarHBondContact O-CG 3.39Å; T397-Q403 PolarHBondContact O-NE2 3.24Å; T397-M787 HydrophobicContact CG2-CE 3.31Å |
| 398 | N | 88.7 | Confident | 92.4 | Very high | 56 Ų | 56 | 25.4 Ų | 25.4 | 30% | 0.299 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -83.4 | 2.6 | -177.7 | -64.7 | -22.4 | 0 | 0 | 0 | 114.5 | P62 T63 E727 | P62-N398 WeakPolarHBondContact CA-O 3.4Å; P62-N398 HydrophobicContact CB-CB 4.49Å; T63-N398 PolarHBondContact N-O 3.22Å; T63-N398 PolarHBondContact OG1-O 3.2Å; N398-E727 WeakPolarHBondContact CB-OE2 3.21Å; N398-E727 PolarHBondContact ND2-OE2 3.14Å |
| 399 | I | 91.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | -106 | 113.7 | -172.8 | -58.2 | 175.8 | 0 | 0 | 0 | 109.5 | T397 A401 V402 Q403 I728 T784 M787 | T397-I399 VanDerWaalsContact C-N 3.28Å; T397-I399 PolarHBondContact O-N 3.32Å; I399-A401 PolarHBondContact O-N 3.33Å; I399-V402 HydrophobicContact CB-CB 4.48Å; I399-V402 HydrophobicContact CB-CG2 4.01Å; I399-V402 HydrophobicContact CG2-CG2 4.05Å; I399-V402 PolarHBondContact O-N 3.49Å; I399-Q403 WeakPolarHBondContact O-CG 3.45Å; I399-Q403 PolarHBondContact O-N 3.45Å; I399-Q403 VanDerWaalsContact O-N 3.1Å; I399-I728 HydrophobicContact CD1-CG1 4.14Å; I399-T784 HydrophobicContact CG2-CG2 3.89Å; I399-M787 HydrophobicContact CD1-SD 4.37Å | ||
| 400 | P | 92.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -55.4 | -42 | -173.8 | -30.2 | 38.1 | 0 | 0 | 0 | 114.6 | Y58 T61 T63 V402 Q403 I404 | Y58-P400 HydrophobicContact CE1-CB 4.15Å; Y58-P400 WeakPolarHBondContact O-CG 3.42Å; T61-P400 WeakPolarHBondContact O-CD 3.07Å; T63-P400 HydrophobicContact CG2-CG 3.67Å; P400-V402 VanDerWaalsContact C-N 3.25Å; P400-V402 PolarHBondContact O-N 2.87Å; P400-Q403 PolarHBondContact O-N 2.95Å; P400-I404 HydrophobicContact CB-CD1 4.44Å; P400-I404 WeakPolarHBondContact O-CB 3.43Å; P400-I404 WeakPolarHBondContact O-CD1 3.31Å; P400-I404 WeakPolarHBondContact O-CG1 3.33Å; P400-I404 PolarHBondContact O-N 2.87Å |
| 401 | A | 91.4 | Very high | 93 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.008 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57 | -39.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L59 Y60 I399 F405 T784 | L59-A401 HydrophobicContact CB-CB 4.33Å; L59-A401 WeakPolarHBondContact O-CB 3.43Å; L59-A401 PolarHBondContact O-N 3.09Å; Y60-A401 HydrophobicContact CD1-CB 4.4Å; Y60-A401 HydrophobicContact CE1-CB 4.36Å; I399-A401 PolarHBondContact O-N 3.33Å; A401-F405 VanDerWaalsContact O-CB 3.3Å; A401-F405 WeakPolarHBondContact O-CB 3.29Å; A401-F405 PolarHBondContact O-N 3.43Å; A401-F405 VanDerWaalsContact O-N 3.1Å; A401-T784 HydrophobicContact CB-CG2 4.27Å |
| 402 | V | 92.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -71.4 | -46.7 | 177.4 | -174.8 | 0 | 0 | 0 | 0 | 110.2 | T397 I399 P400 I404 F405 C406 T784 M787 I788 I791 | T397-V402 HydrophobicContact CG2-CG1 4.38Å; I399-V402 HydrophobicContact CB-CB 4.48Å; I399-V402 HydrophobicContact CB-CG2 4.01Å; I399-V402 HydrophobicContact CG2-CG2 4.05Å; I399-V402 PolarHBondContact O-N 3.49Å; P400-V402 VanDerWaalsContact C-N 3.25Å; P400-V402 PolarHBondContact O-N 2.87Å; V402-I404 VanDerWaalsContact C-N 3.34Å; V402-I404 PolarHBondContact O-N 3.32Å; V402-F405 PolarHBondContact O-N 2.97Å; V402-C406 VanDerWaalsContact O-CB 3.25Å; V402-C406 WeakPolarHBondContact O-CB 3.48Å; V402-C406 PolarHBondContact O-N 3.44Å; V402-C406 PolarHBondContact O-SG 2.99Å; V402-T784 HydrophobicContact CG2-CG2 3.63Å; V402-M787 HydrophobicContact CG1-CE 4.08Å; V402-M787 HydrophobicContact CG2-CE 4.31Å; V402-M787 HydrophobicContact CG2-SD 4.1Å; V402-I788 HydrophobicContact CB-CG1 4.36Å; V402-I788 HydrophobicContact CG1-CG1 4.14Å; V402-I788 HydrophobicContact CG2-CD1 4.31Å; V402-I788 HydrophobicContact CG2-CG1 4.02Å; V402-I791 HydrophobicContact CG1-CD1 3.89Å |
| 403 | Q | 93.8 | Very high | 93.4 | Very high | 58 Ų | 58 | 19.7 Ų | 19.7 | 27% | 0.271 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -56.2 | -48.9 | 179.1 | -64.1 | -178.6 | -36.4 | 0 | 0 | 111.6 | I395 T397 I399 P400 C406 A407 | I395-Q403 WeakPolarHBondContact O-CG 3.23Å; T397-Q403 VanDerWaalsContact O-CD 3.22Å; T397-Q403 WeakPolarHBondContact O-CG 3.39Å; T397-Q403 PolarHBondContact O-NE2 3.24Å; I399-Q403 WeakPolarHBondContact O-CG 3.45Å; I399-Q403 PolarHBondContact O-N 3.45Å; I399-Q403 VanDerWaalsContact O-N 3.1Å; P400-Q403 PolarHBondContact O-N 2.95Å; Q403-C406 PolarHBondContact O-N 3.49Å; Q403-A407 VanDerWaalsContact O-CB 3.26Å; Q403-A407 WeakPolarHBondContact O-CB 3.47Å; Q403-A407 PolarHBondContact O-N 3.18Å |
| 404 | I | 94.8 | Very high | 93.6 | Very high | 7 Ų | 7 | 20.7 Ų | 20.7 | 4% | 0.036 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.5 | -52.1 | -179.8 | -62 | 159.1 | 0 | 0 | 0 | 109.4 | L59 I329 T331 V334 P400 V402 C406 A407 Y408 | L59-I404 HydrophobicContact CD2-CD1 3.96Å; I329-I404 HydrophobicContact CD1-CD1 3.51Å; I329-I404 HydrophobicContact CD1-CG1 4.33Å; I329-I404 HydrophobicContact CG1-CD1 3.73Å; I329-I404 HydrophobicContact CG1-CG1 4.15Å; I329-I404 WeakPolarHBondContact O-CG2 3.12Å; T331-I404 HydrophobicContact CG2-CB 4.24Å; T331-I404 HydrophobicContact CG2-CD1 4.41Å; T331-I404 HydrophobicContact CG2-CG2 3.72Å; V334-I404 HydrophobicContact CG2-CG2 3.95Å; P400-I404 HydrophobicContact CB-CD1 4.44Å; P400-I404 WeakPolarHBondContact O-CB 3.43Å; P400-I404 WeakPolarHBondContact O-CD1 3.31Å; P400-I404 WeakPolarHBondContact O-CG1 3.33Å; P400-I404 PolarHBondContact O-N 2.87Å; V402-I404 VanDerWaalsContact C-N 3.34Å; V402-I404 PolarHBondContact O-N 3.32Å; I404-C406 VanDerWaalsContact C-N 3.31Å; I404-C406 PolarHBondContact O-N 2.88Å; I404-A407 PolarHBondContact O-N 2.74Å; I404-Y408 HydrophobicContact CG2-CD2 3.7Å; I404-Y408 HydrophobicContact CG2-CE2 3.67Å; I404-Y408 VanDerWaalsContact O-CD2 3.31Å; I404-Y408 WeakPolarHBondContact O-CD2 3.27Å; I404-Y408 PolarHBondContact O-N 3.23Å |
| 405 | F | 94.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -54.8 | -47.8 | 178.8 | -179.7 | -86.3 | 0 | 0 | 0 | 112.1 | I333 M337 F391 A401 V402 T409 I788 F856 | I333-F405 HydrophobicContact CG1-CD2 4.2Å; I333-F405 HydrophobicContact CG2-CB 4.34Å; I333-F405 HydrophobicContact CG2-CD2 4.48Å; M337-F405 HydrophobicContact CB-CE2 3.84Å; M337-F405 HydrophobicContact CB-CZ 4.24Å; F391-F405 HydrophobicContact CE1-CE1 4.09Å; A401-F405 VanDerWaalsContact O-CB 3.3Å; A401-F405 WeakPolarHBondContact O-CB 3.29Å; A401-F405 PolarHBondContact O-N 3.43Å; A401-F405 VanDerWaalsContact O-N 3.1Å; V402-F405 PolarHBondContact O-N 2.97Å; F405-T409 WeakPolarHBondContact CE1-OG1 3.42Å; F405-T409 VanDerWaalsContact O-CB 3.31Å; F405-T409 WeakPolarHBondContact O-CB 3.49Å; F405-T409 PolarHBondContact O-N 3.3Å; F405-T409 PolarHBondContact O-OG1 3.47Å; F405-I788 HydrophobicContact CB-CD1 4.13Å; F405-I788 HydrophobicContact CD1-CB 4.49Å; F405-I788 HydrophobicContact CD1-CG1 4.38Å; F405-I788 HydrophobicContact CD1-CG2 3.36Å; F405-I788 HydrophobicContact CD2-CG2 4.35Å; F405-I788 HydrophobicContact CE1-CG2 3.25Å; F405-I788 HydrophobicContact CE2-CG2 4.24Å; F405-I788 HydrophobicContact CG-CD1 4.2Å; F405-I788 HydrophobicContact CG-CG2 3.94Å; F405-I788 HydrophobicContact CZ-CG2 3.72Å; F405-F856 HydrophobicContact CZ-CE2 4.5Å |
| 406 | C | 94.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.8 | -38.5 | 180 | -78 | 0 | 0 | 0 | 0 | 112.7 | F391 I395 V402 Q403 I404 T409 T410 | F391-C406 VanDerWaalsContact O-CB 3.27Å; F391-C406 WeakPolarHBondContact O-CB 3.38Å; I395-C406 HydrophobicContact CG1-CB 3.84Å; V402-C406 VanDerWaalsContact O-CB 3.25Å; V402-C406 WeakPolarHBondContact O-CB 3.48Å; V402-C406 PolarHBondContact O-N 3.44Å; V402-C406 PolarHBondContact O-SG 2.99Å; Q403-C406 PolarHBondContact O-N 3.49Å; I404-C406 VanDerWaalsContact C-N 3.31Å; I404-C406 PolarHBondContact O-N 2.88Å; C406-T409 PolarHBondContact O-N 3Å; C406-T410 VanDerWaalsContact O-CB 3.3Å; C406-T410 WeakPolarHBondContact O-CB 3.22Å; C406-T410 PolarHBondContact O-N 3.34Å; C406-T410 PolarHBondContact O-OG1 3.2Å |
| 407 | A | 95.8 | Very high | 94.2 | Very high | 11 Ų | 11 | 13.5 Ų | 13.5 | 9% | 0.091 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64.6 | -48.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | M323 M328 I395 Q403 I404 T409 T410 A411 | M323-A407 HydrophobicContact CE-CB 3.7Å; M328-A407 HydrophobicContact CE-CB 4.01Å; I395-A407 HydrophobicContact CD1-CB 4.09Å; I395-A407 HydrophobicContact CG1-CB 4.31Å; Q403-A407 VanDerWaalsContact O-CB 3.26Å; Q403-A407 WeakPolarHBondContact O-CB 3.47Å; Q403-A407 PolarHBondContact O-N 3.18Å; I404-A407 PolarHBondContact O-N 2.74Å; A407-T409 PolarHBondContact O-N 3.35Å; A407-T410 PolarHBondContact O-N 3.29Å; A407-A411 PolarHBondContact O-N 2.97Å; A407-A411 VanDerWaalsContact O-N 3.08Å |
| 408 | Y | 96.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 19 Ų | 19 | 0% | 0.004 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.5 | -42.3 | 175.5 | -84.1 | -92.4 | 0 | 0 | 0 | 111.7 | V320 M323 N324 M328 I329 Y330 V334 M337 I404 A411 A412 | V320-Y408 HydrophobicContact CB-CD1 4.41Å; V320-Y408 HydrophobicContact CB-CE1 4.33Å; V320-Y408 HydrophobicContact CG1-CD1 4.45Å; V320-Y408 HydrophobicContact CG1-CE1 3.99Å; V320-Y408 HydrophobicContact CG2-CD1 4.12Å; V320-Y408 HydrophobicContact CG2-CE1 4.47Å; M323-Y408 HydrophobicContact CB-CD1 3.82Å; M323-Y408 HydrophobicContact CB-CE1 3.4Å; M323-Y408 VanDerWaalsContact CB-CE1 3.4Å; M323-Y408 HydrophobicContact CB-CE2 4.27Å; M323-Y408 HydrophobicContact CB-CG 4.42Å; M323-Y408 HydrophobicContact CG-CD1 3.95Å; M323-Y408 HydrophobicContact CG-CE1 4.08Å; M323-Y408 HydrophobicContact CG-CG 4.3Å; N324-Y408 PolarHBondContact OD1-OH 3.37Å; M328-Y408 HydrophobicContact CB-CE2 4.25Å; M328-Y408 PolarHBondContact O-OH 3.39Å; I329-Y408 WeakPolarHBondContact O-CE2 3.31Å; I329-Y408 PolarHBondContact O-OH 2.87Å; Y330-Y408 HydrophobicContact CD2-CE1 4.29Å; V334-Y408 HydrophobicContact CG1-CD1 3.99Å; V334-Y408 HydrophobicContact CG1-CD2 4.34Å; V334-Y408 HydrophobicContact CG1-CG 3.82Å; V334-Y408 HydrophobicContact CG2-CD2 4Å; V334-Y408 HydrophobicContact CG2-CG 4.24Å; M337-Y408 VanDerWaalsContact SD-C 3.53Å; I404-Y408 HydrophobicContact CG2-CD2 3.7Å; I404-Y408 HydrophobicContact CG2-CE2 3.67Å; I404-Y408 VanDerWaalsContact O-CD2 3.31Å; I404-Y408 WeakPolarHBondContact O-CD2 3.27Å; I404-Y408 PolarHBondContact O-N 3.23Å; Y408-A411 PolarHBondContact O-N 2.87Å; Y408-A412 WeakPolarHBondContact O-CB 3.35Å; Y408-A412 PolarHBondContact O-N 3.38Å |
| 409 | T | 95.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.006 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -65.8 | -41.4 | -179.9 | -54.9 | 0 | 0 | 0 | 0 | 111.6 | M337 V341 F391 F405 C406 A407 A411 A412 I413 | M337-T409 HydrophobicContact CG-CG2 4.34Å; M337-T409 WeakPolarHBondContact CG-OG1 3.28Å; M337-T409 VanDerWaalsContact SD-CA 3.57Å; V341-T409 HydrophobicContact CG2-CG2 4.17Å; F391-T409 HydrophobicContact CD1-CG2 3.91Å; F391-T409 HydrophobicContact CD2-CG2 3.75Å; F391-T409 HydrophobicContact CE1-CG2 3.81Å; F391-T409 HydrophobicContact CE2-CG2 3.65Å; F391-T409 HydrophobicContact CG-CG2 3.9Å; F391-T409 HydrophobicContact CZ-CG2 3.67Å; F405-T409 WeakPolarHBondContact CE1-OG1 3.42Å; F405-T409 VanDerWaalsContact O-CB 3.31Å; F405-T409 WeakPolarHBondContact O-CB 3.49Å; F405-T409 PolarHBondContact O-N 3.3Å; F405-T409 PolarHBondContact O-OG1 3.47Å; C406-T409 PolarHBondContact O-N 3Å; A407-T409 PolarHBondContact O-N 3.35Å; T409-A411 PolarHBondContact O-N 3.46Å; T409-A412 PolarHBondContact O-N 3.31Å; T409-I413 HydrophobicContact CG2-CD1 3.91Å; T409-I413 WeakPolarHBondContact O-CD1 3.39Å; T409-I413 WeakPolarHBondContact O-CG1 3.43Å; T409-I413 PolarHBondContact O-N 3Å |
| 410 | T | 96.1 | Very high | 94.8 | Very high | 21 Ų | 21 | 17.5 Ų | 17.5 | 13% | 0.129 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.7 | -48 | 175 | -58.7 | 0 | 0 | 0 | 0 | 111 | V388 F391 C406 A407 A412 I413 V414 | V388-T410 HydrophobicContact CG1-CG2 4.05Å; F391-T410 VanDerWaalsContact CB-OG1 3.29Å; F391-T410 WeakPolarHBondContact CB-OG1 3.45Å; C406-T410 VanDerWaalsContact O-CB 3.3Å; C406-T410 WeakPolarHBondContact O-CB 3.22Å; C406-T410 PolarHBondContact O-N 3.34Å; C406-T410 PolarHBondContact O-OG1 3.2Å; A407-T410 PolarHBondContact O-N 3.29Å; T410-A412 VanDerWaalsContact C-N 3.33Å; T410-A412 PolarHBondContact O-N 2.88Å; T410-I413 PolarHBondContact O-N 2.75Å; T410-V414 WeakPolarHBondContact O-CG2 3.29Å; T410-V414 PolarHBondContact O-N 3.02Å |
| 411 | A | 96.4 | Very high | 94.9 | Very high | 15 Ų | 15 | 18.6 Ų | 18.6 | 12% | 0.124 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.1 | -39.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A319 M323 A407 Y408 T409 V414 T415 | A319-A411 VanDerWaalsContact CB-C 3.49Å; A319-A411 HydrophobicContact CB-CB 4.01Å; M323-A411 HydrophobicContact CG-CB 3.89Å; M323-A411 HydrophobicContact SD-CB 3.86Å; A407-A411 PolarHBondContact O-N 2.97Å; A407-A411 VanDerWaalsContact O-N 3.08Å; Y408-A411 PolarHBondContact O-N 2.87Å; T409-A411 PolarHBondContact O-N 3.46Å; A411-V414 PolarHBondContact O-N 3.08Å; A411-T415 WeakPolarHBondContact O-CB 3.43Å; A411-T415 VanDerWaalsContact O-CG2 3.3Å; A411-T415 WeakPolarHBondContact O-CG2 3.36Å; A411-T415 PolarHBondContact O-N 3.32Å; A411-T415 PolarHBondContact O-OG1 3.11Å |
| 412 | A | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.1 | -41.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | V316 A319 M337 V341 Y408 T409 T410 T415 T416 | V316-A412 HydrophobicContact CG2-CB 4.42Å; A319-A412 HydrophobicContact CB-CB 3.92Å; A319-A412 VanDerWaalsContact CB-N 3.35Å; M337-A412 HydrophobicContact CE-CB 4.17Å; M337-A412 HydrophobicContact SD-CB 3.94Å; V341-A412 HydrophobicContact CG1-CB 4.17Å; V341-A412 HydrophobicContact CG2-CB 4.25Å; Y408-A412 WeakPolarHBondContact O-CB 3.35Å; Y408-A412 PolarHBondContact O-N 3.38Å; T409-A412 PolarHBondContact O-N 3.31Å; T410-A412 VanDerWaalsContact C-N 3.33Å; T410-A412 PolarHBondContact O-N 2.88Å; A412-T415 WeakPolarHBondContact CA-OG1 3.45Å; A412-T415 PolarHBondContact O-OG1 3.44Å; A412-T416 VanDerWaalsContact O-CB 3.3Å; A412-T416 WeakPolarHBondContact O-CB 3.49Å; A412-T416 WeakPolarHBondContact O-CG2 3.35Å; A412-T416 PolarHBondContact O-N 3.1Å; A412-T416 PolarHBondContact O-OG1 3.47Å |
| 413 | I | 95.4 | Very high | 95.1 | Very high | 3 Ų | 3 | 20.4 Ų | 20.4 | 2% | 0.015 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.2 | -44.2 | 176.3 | -69.2 | 157.6 | 0 | 0 | 0 | 111.1 | V384 D387 V388 F391 T409 T410 T416 F417 | V384-I413 HydrophobicContact CG1-CG2 3.92Å; D387-I413 HydrophobicContact CB-CD1 3.67Å; D387-I413 HydrophobicContact CB-CG2 4.32Å; V388-I413 HydrophobicContact CG2-CB 4.23Å; V388-I413 HydrophobicContact CG2-CG2 3.63Å; F391-I413 HydrophobicContact CD2-CD1 3.39Å; F391-I413 HydrophobicContact CE2-CD1 3.66Å; F391-I413 HydrophobicContact CG-CD1 4.46Å; T409-I413 HydrophobicContact CG2-CD1 3.91Å; T409-I413 WeakPolarHBondContact O-CD1 3.39Å; T409-I413 WeakPolarHBondContact O-CG1 3.43Å; T409-I413 PolarHBondContact O-N 3Å; T410-I413 PolarHBondContact O-N 2.75Å; I413-T416 WeakPolarHBondContact CA-OG1 3.37Å; I413-T416 PolarHBondContact O-OG1 3.02Å; I413-F417 VanDerWaalsContact O-CB 3.31Å; I413-F417 WeakPolarHBondContact O-CB 3.24Å; I413-F417 PolarHBondContact O-N 3.38Å |
| 414 | V | 95.9 | Very high | 95.2 | Very high | 52 Ų | 52 | 18 Ų | 18 | 32% | 0.315 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -63 | -48.9 | 179.7 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | V388 T410 A411 F417 F418 | V388-V414 HydrophobicContact CG2-CG2 3.73Å; T410-V414 WeakPolarHBondContact O-CG2 3.29Å; T410-V414 PolarHBondContact O-N 3.02Å; A411-V414 PolarHBondContact O-N 3.08Å; V414-F417 WeakPolarHBondContact O-CB 3.39Å; V414-F417 PolarHBondContact O-N 3.29Å; V414-F418 HydrophobicContact CG1-CD2 3.83Å; V414-F418 HydrophobicContact CG1-CE2 3.51Å; V414-F418 WeakPolarHBondContact O-CD2 3.43Å; V414-F418 PolarHBondContact O-N 3.14Å |
| 415 | T | 95.8 | Very high | 95.1 | Very high | 15 Ų | 15 | 17.6 Ų | 17.6 | 9% | 0.092 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.8 | -42 | 179.3 | 51.4 | 0 | 0 | 0 | 0 | 112.4 | G315 A319 A411 A412 F417 F418 N419 | G315-T415 PolarHBondContact O-OG1 3.41Å; A319-T415 HydrophobicContact CB-CG2 4.15Å; A411-T415 WeakPolarHBondContact O-CB 3.43Å; A411-T415 VanDerWaalsContact O-CG2 3.3Å; A411-T415 WeakPolarHBondContact O-CG2 3.36Å; A411-T415 PolarHBondContact O-N 3.32Å; A411-T415 PolarHBondContact O-OG1 3.11Å; A412-T415 WeakPolarHBondContact CA-OG1 3.45Å; A412-T415 PolarHBondContact O-OG1 3.44Å; T415-F417 VanDerWaalsContact C-N 3.35Å; T415-F417 PolarHBondContact O-N 2.93Å; T415-F418 PolarHBondContact O-N 3.22Å; T415-N419 PolarHBondContact O-N 3.44Å |
| 416 | T | 95.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.006 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.4 | -36.8 | 175.5 | 54.7 | 0 | 0 | 0 | 0 | 112.1 | A312 V316 V341 A412 I413 N419 Q420 | A312-T416 WeakPolarHBondContact O-CG2 3.41Å; V316-T416 HydrophobicContact CG2-CG2 4.27Å; V341-T416 HydrophobicContact CG1-CG2 4.15Å; A412-T416 VanDerWaalsContact O-CB 3.3Å; A412-T416 WeakPolarHBondContact O-CB 3.49Å; A412-T416 WeakPolarHBondContact O-CG2 3.35Å; A412-T416 PolarHBondContact O-N 3.1Å; A412-T416 PolarHBondContact O-OG1 3.47Å; I413-T416 WeakPolarHBondContact CA-OG1 3.37Å; I413-T416 PolarHBondContact O-OG1 3.02Å; T416-N419 PolarHBondContact O-N 3.05Å; T416-Q420 WeakPolarHBondContact O-CG 3.25Å; T416-Q420 PolarHBondContact O-N 2.88Å |
| 417 | F | 95.4 | Very high | 95.1 | Very high | 32 Ų | 32 | 18.5 Ų | 18.5 | 14% | 0.14 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.3 | -44.5 | 173.2 | 175.1 | -119.4 | 0 | 0 | 0 | 112.6 | I380 T381 V384 I413 V414 T415 N419 Q420 L421 | I380-F417 HydrophobicContact CG2-CD2 4.19Å; I380-F417 HydrophobicContact CG2-CE2 4.12Å; T381-F417 HydrophobicContact CG2-CZ 4.38Å; V384-F417 HydrophobicContact CB-CB 4.49Å; V384-F417 HydrophobicContact CB-CD2 4.06Å; V384-F417 HydrophobicContact CB-CE2 4.42Å; V384-F417 HydrophobicContact CB-CG 4.25Å; V384-F417 HydrophobicContact CG1-CB 3.74Å; V384-F417 HydrophobicContact CG1-CD1 4Å; V384-F417 HydrophobicContact CG1-CD2 4Å; V384-F417 HydrophobicContact CG1-CG 3.66Å; V384-F417 HydrophobicContact CG2-CB 4.03Å; V384-F417 HydrophobicContact CG2-CD2 3.64Å; V384-F417 HydrophobicContact CG2-CE2 4.3Å; V384-F417 HydrophobicContact CG2-CG 4.03Å; I413-F417 VanDerWaalsContact O-CB 3.31Å; I413-F417 WeakPolarHBondContact O-CB 3.24Å; I413-F417 PolarHBondContact O-N 3.38Å; V414-F417 WeakPolarHBondContact O-CB 3.39Å; V414-F417 PolarHBondContact O-N 3.29Å; T415-F417 VanDerWaalsContact C-N 3.35Å; T415-F417 PolarHBondContact O-N 2.93Å; F417-N419 VanDerWaalsContact C-N 3.3Å; F417-N419 PolarHBondContact O-N 3.22Å; F417-Q420 WeakPolarHBondContact O-CB 3.44Å; F417-Q420 PolarHBondContact O-N 3.31Å; F417-Q420 VanDerWaalsContact O-N 3.13Å; F417-L421 HydrophobicContact CD1-CD1 4.36Å; F417-L421 HydrophobicContact CD2-CD1 4.4Å; F417-L421 HydrophobicContact CD2-CG 4.24Å; F417-L421 HydrophobicContact CE1-CD1 3.7Å; F417-L421 HydrophobicContact CE2-CD1 3.76Å; F417-L421 HydrophobicContact CE2-CD2 4.21Å; F417-L421 HydrophobicContact CE2-CG 3.86Å; F417-L421 HydrophobicContact CZ-CD1 3.38Å; F417-L421 HydrophobicContact CZ-CG 4.04Å; F417-L421 PolarHBondContact O-N 3.23Å |
| 418 | F | 94.8 | Very high | 95 | Very high | 125 Ų | 125 | 18 Ų | 18 | 55% | 0.548 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -59.8 | -41 | 173.7 | -78.8 | -65 | 0 | 0 | 0 | 111.8 | V414 T415 Q420 L421 T422 | V414-F418 HydrophobicContact CG1-CD2 3.83Å; V414-F418 HydrophobicContact CG1-CE2 3.51Å; V414-F418 WeakPolarHBondContact O-CD2 3.43Å; V414-F418 PolarHBondContact O-N 3.14Å; T415-F418 PolarHBondContact O-N 3.22Å; F418-Q420 VanDerWaalsContact C-N 3.33Å; F418-Q420 PolarHBondContact O-N 2.91Å; F418-L421 PolarHBondContact O-N 2.92Å; F418-T422 WeakPolarHBondContact O-CB 3.28Å; F418-T422 WeakPolarHBondContact O-CG2 3.5Å; F418-T422 PolarHBondContact O-N 2.7Å; F418-T422 VanDerWaalsContact O-N 3.09Å; F418-T422 PolarHBondContact O-OG1 3.47Å |
| 419 | N | 94.7 | Very high | 94.8 | Very high | 11 Ų | 11 | 17.9 Ų | 17.9 | 6% | 0.059 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66.2 | -33.7 | 175.3 | -72.1 | -11.1 | 0 | 0 | 0 | 112.6 | N40 G311 G315 T415 T416 F417 I423 M424 | N40-N419 PolarHBondContact ND2-ND2 2.87Å; N40-N419 PolarHBondContact ND2-OD1 3.29Å; N40-N419 PolarHBondContact OD1-ND2 3Å; G311-N419 PolarHBondContact O-ND2 3.31Å; G315-N419 VanDerWaalsContact CA-ND2 3.31Å; G315-N419 WeakPolarHBondContact CA-ND2 3.25Å; G315-N419 PolarHBondContact N-ND2 3.29Å; T415-N419 PolarHBondContact O-N 3.44Å; T416-N419 PolarHBondContact O-N 3.05Å; F417-N419 VanDerWaalsContact C-N 3.3Å; F417-N419 PolarHBondContact O-N 3.22Å; N419-I423 HydrophobicContact CB-CD1 4.45Å; N419-I423 WeakPolarHBondContact O-CB 3.2Å; N419-I423 PolarHBondContact O-N 3.22Å; N419-M424 PolarHBondContact O-N 3.12Å; N419-M424 VanDerWaalsContact O-N 3.12Å |
| 420 | Q | 93.4 | Very high | 94.7 | Very high | 13 Ų | 13 | 19.7 Ų | 19.7 | 6% | 0.061 | 10% | 0.104 | C | C | . | . | I | π-helix | trans | -67.9 | -44.3 | 174.9 | -74.8 | 177 | 3.1 | 0 | 0 | 112.1 | R345 N348 T416 F417 F418 T422 M424 M425 | R345-Q420 PolarHBondContact O-NE2 3.3Å; R345-Q420 VanDerWaalsContact O-NE2 3.07Å; N348-Q420 PolarHBondContact ND2-NE2 2.93Å; N348-Q420 PolarHBondContact ND2-OE1 3.04Å; T416-Q420 WeakPolarHBondContact O-CG 3.25Å; T416-Q420 PolarHBondContact O-N 2.88Å; F417-Q420 WeakPolarHBondContact O-CB 3.44Å; F417-Q420 PolarHBondContact O-N 3.31Å; F417-Q420 VanDerWaalsContact O-N 3.13Å; F418-Q420 VanDerWaalsContact C-N 3.33Å; F418-Q420 PolarHBondContact O-N 2.91Å; Q420-T422 VanDerWaalsContact C-N 3.28Å; Q420-T422 PolarHBondContact O-N 3.39Å; Q420-M424 WeakPolarHBondContact O-CB 3.49Å; Q420-M425 PolarHBondContact O-N 3.36Å |
| 421 | L | 93.2 | Very high | 94.4 | Very high | 23 Ų | 23 | 19.2 Ų | 19.2 | 12% | 0.12 | 10% | 0.101 | C | C | . | . | I | π-helix | trans | -71.6 | -23.6 | 179.5 | -69.8 | -174.1 | 0 | 0 | 0 | 113.5 | F18 Y21 F417 F418 M425 | F18-L421 HydrophobicContact CE1-CD1 4.2Å; F18-L421 HydrophobicContact CE1-CD2 3.89Å; F18-L421 HydrophobicContact CZ-CD2 4.46Å; Y21-L421 PolarHBondContact OH-O 3.02Å; F417-L421 HydrophobicContact CD1-CD1 4.36Å; F417-L421 HydrophobicContact CD2-CD1 4.4Å; F417-L421 HydrophobicContact CD2-CG 4.24Å; F417-L421 HydrophobicContact CE1-CD1 3.7Å; F417-L421 HydrophobicContact CE2-CD1 3.76Å; F417-L421 HydrophobicContact CE2-CD2 4.21Å; F417-L421 HydrophobicContact CE2-CG 3.86Å; F417-L421 HydrophobicContact CZ-CD1 3.38Å; F417-L421 HydrophobicContact CZ-CG 4.04Å; F417-L421 PolarHBondContact O-N 3.23Å; F418-L421 PolarHBondContact O-N 2.92Å; L421-M425 HydrophobicContact CD2-CE 3.91Å; L421-M425 WeakPolarHBondContact O-CB 3.23Å |
| 422 | T | 94.4 | Very high | 94 | Very high | 22 Ų | 22 | 18.5 Ų | 18.5 | 14% | 0.135 | 10% | 0.095 | C | C | . | . | I | π-helix | trans | -103.8 | -76.9 | -177 | 58.6 | 0 | 0 | 0 | 0 | 112.4 | F32 P36 F418 Q420 A426 | F32-T422 HydrophobicContact CD1-CG2 4.24Å; F32-T422 CarbonylContact O-C 3.58Å; P36-T422 HydrophobicContact CG-CG2 4.17Å; F418-T422 WeakPolarHBondContact O-CB 3.28Å; F418-T422 WeakPolarHBondContact O-CG2 3.5Å; F418-T422 PolarHBondContact O-N 2.7Å; F418-T422 VanDerWaalsContact O-N 3.09Å; F418-T422 PolarHBondContact O-OG1 3.47Å; Q420-T422 VanDerWaalsContact C-N 3.28Å; Q420-T422 PolarHBondContact O-N 3.39Å; T422-A426 VanDerWaalsContact O-CB 3.26Å; T422-A426 WeakPolarHBondContact O-CB 3.44Å; T422-A426 PolarHBondContact O-N 2.78Å |
| 423 | I | 95 | Very high | 93.7 | Very high | 17 Ų | 17 | 22.4 Ų | 22.4 | 9% | 0.087 | 11% | 0.11 | C | C | . | . | I | π-helix | trans | -62.2 | -52.6 | -173.6 | -59.2 | 174.7 | 0 | 0 | 0 | 110.8 | F32 P36 V307 N419 A426 V427 | F32-I423 PolarHBondContact O-N 3.4Å; P36-I423 HydrophobicContact CB-CD1 3.99Å; P36-I423 HydrophobicContact CB-CG1 3.81Å; P36-I423 HydrophobicContact CG-CG1 4.39Å; V307-I423 HydrophobicContact CG1-CG2 4.26Å; N419-I423 HydrophobicContact CB-CD1 4.45Å; N419-I423 WeakPolarHBondContact O-CB 3.2Å; N419-I423 PolarHBondContact O-N 3.22Å; I423-A426 PolarHBondContact O-N 3.39Å; I423-V427 HydrophobicContact CG2-CG2 4.42Å; I423-V427 WeakPolarHBondContact O-CB 3.5Å; I423-V427 VanDerWaalsContact O-CG2 3.23Å; I423-V427 WeakPolarHBondContact O-CG2 3.16Å; I423-V427 PolarHBondContact O-N 3.34Å |
| 424 | M | 94.1 | Very high | 93.2 | Very high | 7 Ų | 7 | 23.5 Ų | 23.5 | 3% | 0.034 | 12% | 0.115 | C | C | . | . | I | π-helix | trans | -63.8 | -44.9 | -177.2 | 171.9 | 63.1 | 72.4 | 0 | 0 | 111.5 | L304 V307 G308 T349 M352 N419 Q420 A426 V427 L428 | L304-M424 HydrophobicContact CD1-SD 3.27Å; L304-M424 WeakPolarHBondContact CD1-SD 3.36Å; L304-M424 HydrophobicContact CG-SD 3.74Å; V307-M424 HydrophobicContact CG1-CE 4.49Å; G308-M424 VanDerWaalsContact N-CE 3.28Å; T349-M424 HydrophobicContact CG2-CE 3.53Å; T349-M424 HydrophobicContact CG2-SD 4.04Å; T349-M424 WeakPolarHBondContact OG1-CE 3.38Å; M352-M424 HydrophobicContact CE-CG 3.64Å; M352-M424 HydrophobicContact SD-CG 3.73Å; N419-M424 PolarHBondContact O-N 3.12Å; N419-M424 VanDerWaalsContact O-N 3.12Å; Q420-M424 WeakPolarHBondContact O-CB 3.49Å; M424-A426 PolarHBondContact O-N 2.93Å; M424-V427 PolarHBondContact O-N 3.24Å; M424-L428 VanDerWaalsContact O-CB 3.31Å; M424-L428 WeakPolarHBondContact O-CB 3.44Å; M424-L428 PolarHBondContact O-N 2.88Å |
| 425 | M | 94.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63 | -40.1 | 177.4 | -167.4 | 179.6 | -55.6 | 0 | 0 | 112.5 | Y21 V25 M352 I369 M373 Q420 L421 L428 A429 | Y21-M425 HydrophobicContact CD1-CE 4.13Å; Y21-M425 HydrophobicContact CD1-SD 3.95Å; Y21-M425 HydrophobicContact CE1-CE 3.91Å; Y21-M425 HydrophobicContact CE1-SD 3.84Å; V25-M425 HydrophobicContact CB-SD 4.3Å; V25-M425 HydrophobicContact CG1-CB 4.42Å; V25-M425 HydrophobicContact CG1-CG 4.22Å; V25-M425 HydrophobicContact CG1-SD 4.47Å; V25-M425 HydrophobicContact CG2-SD 4.26Å; M352-M425 HydrophobicContact CE-CB 4.4Å; I369-M425 HydrophobicContact CD1-CG 4.11Å; M373-M425 HydrophobicContact CE-CE 3.79Å; M373-M425 HydrophobicContact CG-CE 4.44Å; M373-M425 HydrophobicContact CG-SD 4.45Å; Q420-M425 PolarHBondContact O-N 3.36Å; L421-M425 HydrophobicContact CD2-CE 3.91Å; L421-M425 WeakPolarHBondContact O-CB 3.23Å; M425-L428 WeakPolarHBondContact O-CB 3.27Å; M425-L428 PolarHBondContact O-N 3.41Å; M425-A429 PolarHBondContact O-N 3.24Å |
| 426 | A | 95.1 | Very high | 92 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.1 | -42 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V25 P29 F32 I33 T422 I423 M424 L428 A429 L430 | V25-A426 HydrophobicContact CG1-CB 3.97Å; P29-A426 HydrophobicContact CB-CB 4.06Å; P29-A426 WeakPolarHBondContact O-CB 3.43Å; F32-A426 HydrophobicContact CB-CB 3.96Å; I33-A426 HydrophobicContact CD1-CB 3.99Å; I33-A426 HydrophobicContact CG1-CB 3.57Å; T422-A426 VanDerWaalsContact O-CB 3.26Å; T422-A426 WeakPolarHBondContact O-CB 3.44Å; T422-A426 PolarHBondContact O-N 2.78Å; I423-A426 PolarHBondContact O-N 3.39Å; M424-A426 PolarHBondContact O-N 2.93Å; A426-L428 VanDerWaalsContact C-N 3.35Å; A426-A429 WeakPolarHBondContact O-CB 3.28Å; A426-A429 PolarHBondContact O-N 3.44Å; A426-L430 PolarHBondContact O-N 2.97Å; A426-L430 VanDerWaalsContact O-N 3.09Å |
| 427 | V | 94.1 | Very high | 91.5 | Very high | 18 Ų | 18 | 33.4 Ų | 33.4 | 11% | 0.109 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.9 | -40 | 175.4 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | I33 L304 V307 I423 M424 A429 L430 T431 | I33-V427 HydrophobicContact CD1-CG2 3.98Å; I33-V427 HydrophobicContact CG1-CG2 4.35Å; L304-V427 HydrophobicContact CD1-CB 4.28Å; L304-V427 HydrophobicContact CD1-CG1 3.85Å; V307-V427 HydrophobicContact CB-CG1 4.4Å; V307-V427 HydrophobicContact CG1-CB 4.35Å; V307-V427 HydrophobicContact CG1-CG1 4.33Å; V307-V427 HydrophobicContact CG1-CG2 4.09Å; V307-V427 HydrophobicContact CG2-CG1 4.17Å; I423-V427 HydrophobicContact CG2-CG2 4.42Å; I423-V427 WeakPolarHBondContact O-CB 3.5Å; I423-V427 VanDerWaalsContact O-CG2 3.23Å; I423-V427 WeakPolarHBondContact O-CG2 3.16Å; I423-V427 PolarHBondContact O-N 3.34Å; M424-V427 PolarHBondContact O-N 3.24Å; V427-A429 VanDerWaalsContact C-N 3.31Å; V427-A429 PolarHBondContact O-N 2.92Å; V427-L430 WeakPolarHBondContact O-CB 3.46Å; V427-L430 PolarHBondContact O-N 3.43Å; V427-L430 VanDerWaalsContact O-N 3.11Å; V427-T431 HydrophobicContact CG1-CG2 4.42Å; V427-T431 WeakPolarHBondContact O-CG2 3.45Å; V427-T431 PolarHBondContact O-N 3.42Å |
| 428 | L | 93.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -56.3 | -45.7 | 172.7 | 174.5 | 61.7 | 0 | 0 | 0 | 111.3 | L304 M352 V356 I369 M373 M424 M425 A426 L430 T431 L432 | L304-L428 HydrophobicContact CD1-CB 3.98Å; L304-L428 HydrophobicContact CD2-CB 4.31Å; L304-L428 HydrophobicContact CD2-CD1 3.54Å; L304-L428 HydrophobicContact CD2-CG 4.47Å; M352-L428 HydrophobicContact CE-CD2 3.87Å; V356-L428 HydrophobicContact CG1-CD1 4.46Å; V356-L428 HydrophobicContact CG2-CD1 4.01Å; V356-L428 HydrophobicContact CG2-CD2 3.87Å; V356-L428 HydrophobicContact CG2-CG 4.36Å; I369-L428 HydrophobicContact CD1-CD2 4.26Å; I369-L428 HydrophobicContact CD1-CG 4.28Å; I369-L428 HydrophobicContact CG1-CD2 4.32Å; M373-L428 HydrophobicContact SD-CD2 4.13Å; M424-L428 VanDerWaalsContact O-CB 3.31Å; M424-L428 WeakPolarHBondContact O-CB 3.44Å; M424-L428 PolarHBondContact O-N 2.88Å; M425-L428 WeakPolarHBondContact O-CB 3.27Å; M425-L428 PolarHBondContact O-N 3.41Å; A426-L428 VanDerWaalsContact C-N 3.35Å; L428-L430 VanDerWaalsContact C-N 3.33Å; L428-L430 PolarHBondContact O-N 3.45Å; L428-T431 PolarHBondContact O-N 3.2Å; L428-T431 PolarHBondContact O-OG1 2.84Å; L428-L432 HydrophobicContact CD1-CD1 4.46Å; L428-L432 HydrophobicContact CD1-CG 4.43Å; L428-L432 HydrophobicContact CG-CD1 4.47Å; L428-L432 WeakPolarHBondContact O-CG 3.28Å; L428-L432 PolarHBondContact O-N 3.16Å |
| 429 | A | 92.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.4 | -40 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I369 M425 A426 V427 L432 R433 | I369-A429 HydrophobicContact CD1-CB 3.9Å; M425-A429 PolarHBondContact O-N 3.24Å; A426-A429 WeakPolarHBondContact O-CB 3.28Å; A426-A429 PolarHBondContact O-N 3.44Å; V427-A429 VanDerWaalsContact C-N 3.31Å; V427-A429 PolarHBondContact O-N 2.92Å; A429-L432 PolarHBondContact O-N 2.95Å; A429-R433 WeakPolarHBondContact O-CG 3.03Å; A429-R433 PolarHBondContact O-N 3.17Å |
| 430 | L | 91.8 | Very high | 89.7 | Confident | 39 Ų | 39 | 27.4 Ų | 27.4 | 20% | 0.204 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.2 | -44.1 | 174.9 | -67.3 | 175.8 | 0 | 0 | 0 | 111.8 | P29 I33 A426 V427 L428 L432 R433 M434 | P29-L430 HydrophobicContact CB-CD2 4.13Å; P29-L430 HydrophobicContact CB-CG 4.08Å; P29-L430 HydrophobicContact CG-CD2 3.64Å; P29-L430 HydrophobicContact CG-CG 4.17Å; I33-L430 HydrophobicContact CD1-CD1 3.74Å; A426-L430 PolarHBondContact O-N 2.97Å; A426-L430 VanDerWaalsContact O-N 3.09Å; V427-L430 WeakPolarHBondContact O-CB 3.46Å; V427-L430 PolarHBondContact O-N 3.43Å; V427-L430 VanDerWaalsContact O-N 3.11Å; L428-L430 VanDerWaalsContact C-N 3.33Å; L428-L430 PolarHBondContact O-N 3.45Å; L430-L432 VanDerWaalsContact C-N 3.29Å; L430-L432 PolarHBondContact O-N 2.84Å; L430-R433 WeakPolarHBondContact O-CB 3.08Å; L430-R433 PolarHBondContact O-N 3.39Å; L430-R433 VanDerWaalsContact O-N 3.15Å; L430-M434 WeakPolarHBondContact O-CG 3.34Å; L430-M434 PolarHBondContact O-N 2.95Å |
| 431 | T | 90 | Very high | 89.1 | Confident | 11 Ų | 11 | 27.4 Ų | 27.4 | 7% | 0.067 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.2 | -36.3 | 176.8 | 64.4 | 0 | 0 | 0 | 0 | 112.6 | V427 L428 M434 E435 | V427-T431 HydrophobicContact CG1-CG2 4.42Å; V427-T431 WeakPolarHBondContact O-CG2 3.45Å; V427-T431 PolarHBondContact O-N 3.42Å; L428-T431 PolarHBondContact O-N 3.2Å; L428-T431 PolarHBondContact O-OG1 2.84Å; T431-M434 HydrophobicContact CG2-CE 3.84Å; T431-M434 WeakPolarHBondContact O-CB 3.43Å; T431-M434 PolarHBondContact O-N 3.37Å; T431-E435 PolarHBondContact O-N 3.33Å |
| 432 | L | 89.2 | Confident | 88.5 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69 | -34.1 | 174.5 | -74.7 | 177.4 | 0 | 0 | 0 | 113.3 | V356 V365 I369 L428 A429 L430 M434 E435 R436 | V356-L432 HydrophobicContact CG1-CD1 4.09Å; V356-L432 HydrophobicContact CG1-CD2 3.59Å; V356-L432 HydrophobicContact CG1-CG 4.23Å; V365-L432 HydrophobicContact CG1-CB 3.68Å; V365-L432 HydrophobicContact CG1-CD1 4.47Å; I369-L432 HydrophobicContact CB-CD1 4.14Å; L428-L432 HydrophobicContact CD1-CD1 4.46Å; L428-L432 HydrophobicContact CD1-CG 4.43Å; L428-L432 HydrophobicContact CG-CD1 4.47Å; L428-L432 WeakPolarHBondContact O-CG 3.28Å; L428-L432 PolarHBondContact O-N 3.16Å; A429-L432 PolarHBondContact O-N 2.95Å; L430-L432 VanDerWaalsContact C-N 3.29Å; L430-L432 PolarHBondContact O-N 2.84Å; L432-M434 VanDerWaalsContact C-N 3.31Å; L432-E435 PolarHBondContact O-N 3.03Å; L432-R436 WeakPolarHBondContact O-CB 3.35Å; L432-R436 PolarHBondContact O-N 2.9Å |
| 433 | R | 89 | Confident | 87.8 | Confident | 82 Ų | 82 | 32.2 Ų | 32.2 | 31% | 0.309 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -64.9 | -36.5 | 171.2 | -70.1 | 174 | 179.1 | -164.2 | -2.7 | 111.6 | S26 R27 V365 A429 L430 K437 | S26-R433 PolarHBondContact O-NH2 3.41Å; R27-R433 PolarHBondContact O-NH2 3.5Å; V365-R433 HydrophobicContact CG1-CG 4.16Å; V365-R433 HydrophobicContact CG2-CG 4.27Å; A429-R433 WeakPolarHBondContact O-CG 3.03Å; A429-R433 PolarHBondContact O-N 3.17Å; L430-R433 WeakPolarHBondContact O-CB 3.08Å; L430-R433 PolarHBondContact O-N 3.39Å; L430-R433 VanDerWaalsContact O-N 3.15Å; R433-K437 WeakPolarHBondContact O-CG 3.37Å; R433-K437 PolarHBondContact O-N 3.4Å |
| 434 | M | 86.2 | Confident | 86.9 | Confident | 26 Ų | 26 | 35.8 Ų | 35.8 | 13% | 0.128 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.2 | -47.4 | 175 | -65.9 | -169.8 | -65.8 | 0 | 0 | 111.6 | L430 T431 L432 R436 K437 S438 L439 I444 | L430-M434 WeakPolarHBondContact O-CG 3.34Å; L430-M434 PolarHBondContact O-N 2.95Å; T431-M434 HydrophobicContact CG2-CE 3.84Å; T431-M434 WeakPolarHBondContact O-CB 3.43Å; T431-M434 PolarHBondContact O-N 3.37Å; L432-M434 VanDerWaalsContact C-N 3.31Å; M434-R436 VanDerWaalsContact C-N 3.32Å; M434-R436 PolarHBondContact O-N 3.47Å; M434-K437 CarbonylContact O-C 3.57Å; M434-K437 WeakPolarHBondContact O-CA 3.48Å; M434-K437 PolarHBondContact O-N 3.39Å; M434-S438 PolarHBondContact O-N 2.72Å; M434-S438 VanDerWaalsContact O-N 3.11Å; M434-L439 HydrophobicContact CB-CB 4.16Å; M434-L439 HydrophobicContact CB-CD1 4.47Å; M434-L439 HydrophobicContact CG-CD1 4.37Å; M434-L439 PolarHBondContact O-N 2.98Å; M434-I444 HydrophobicContact SD-CB 4.22Å; M434-I444 HydrophobicContact SD-CG1 3.96Å; M434-I444 HydrophobicContact SD-CG2 3.74Å |
| 435 | E | 83.7 | Confident | 86.2 | Confident | 7 Ų | 7 | 41.3 Ų | 41.3 | 3% | 0.033 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.2 | -45.8 | 176.1 | 179.8 | -176.6 | 140.2 | 0 | 0 | 111.3 | K301 R368 T431 L432 K437 S438 V485 | K301-E435 IonicContact NZ-OE2 2.76Å; K301-E435 PolarHBondContact NZ-OE2 3.4Å; R368-E435 IonicContact CZ-OE1 2.66Å; R368-E435 VanDerWaalsContact CZ-OE1 3.25Å; R368-E435 IonicContact NH1-OE1 3.76Å; R368-E435 PolarHBondContact NH1-OE1 3.38Å; R368-E435 IonicContact NH2-OE1 2.56Å; R368-E435 PolarHBondContact NH2-OE1 2.86Å; R368-E435 IonicContact NH2-OE2 3.25Å; T431-E435 PolarHBondContact O-N 3.33Å; L432-E435 PolarHBondContact O-N 3.03Å; E435-K437 PolarHBondContact O-N 2.93Å; E435-S438 WeakPolarHBondContact O-CA 3.24Å; E435-S438 PolarHBondContact O-N 3.06Å; E435-V485 HydrophobicContact CG-CG2 4.08Å |
| 436 | R | 83.1 | Confident | 85.5 | Confident | 126 Ų | 126 | 44 Ų | 44 | 48% | 0.475 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.2 | -32.7 | 177.2 | -174 | 170.7 | -174.5 | 170.6 | 5.7 | 113.1 | V365 L432 M434 S438 | V365-R436 HydrophobicContact CG2-CB 4.24Å; L432-R436 WeakPolarHBondContact O-CB 3.35Å; L432-R436 PolarHBondContact O-N 2.9Å; M434-R436 VanDerWaalsContact C-N 3.32Å; M434-R436 PolarHBondContact O-N 3.47Å; R436-S438 VanDerWaalsContact C-N 3.26Å |
| 437 | K | 83.1 | Confident | 84.8 | Confident | 142 Ų | 142 | 51.5 Ų | 51.5 | 62% | 0.617 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -0.7 | 175.1 | -70.2 | 179.6 | 179.5 | -177.6 | 0 | 113 | R433 M434 E435 L439 | R433-K437 WeakPolarHBondContact O-CG 3.37Å; R433-K437 PolarHBondContact O-N 3.4Å; M434-K437 CarbonylContact O-C 3.57Å; M434-K437 WeakPolarHBondContact O-CA 3.48Å; M434-K437 PolarHBondContact O-N 3.39Å; E435-K437 PolarHBondContact O-N 2.93Å; K437-L439 HydrophobicContact CB-CD1 3.84Å; K437-L439 HydrophobicContact CB-CG 3.73Å; K437-L439 HydrophobicContact CD-CD1 3.94Å; K437-L439 PolarHBondContact O-N 3.17Å |
| 438 | S | 80.8 | Confident | 84 | Confident | 13 Ų | 13 | 51 Ų | 51 | 9% | 0.091 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 42.5 | -171.7 | -55.2 | 0 | 0 | 0 | 0 | 111.5 | M434 E435 R436 K447 T448 V485 | M434-S438 PolarHBondContact O-N 2.72Å; M434-S438 VanDerWaalsContact O-N 3.11Å; E435-S438 WeakPolarHBondContact O-CA 3.24Å; E435-S438 PolarHBondContact O-N 3.06Å; R436-S438 VanDerWaalsContact C-N 3.26Å; S438-K447 WeakPolarHBondContact O-CA 3.47Å; S438-T448 PolarHBondContact O-N 3.23Å; S438-T448 PolarHBondContact O-OG1 2.95Å; S438-T448 VanDerWaalsContact O-OG1 3.08Å; S438-V485 PolarHBondContact OG-N 2.97Å |
| 439 | L | 83.3 | Confident | 83 | Confident | 29 Ų | 29 | 54.6 Ų | 54.6 | 15% | 0.152 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -83.7 | 150.4 | 171.7 | -64.2 | 170.9 | 0 | 0 | 0 | 109.4 | M434 K437 C441 V446 K447 | M434-L439 HydrophobicContact CB-CB 4.16Å; M434-L439 HydrophobicContact CB-CD1 4.47Å; M434-L439 HydrophobicContact CG-CD1 4.37Å; M434-L439 PolarHBondContact O-N 2.98Å; K437-L439 HydrophobicContact CB-CD1 3.84Å; K437-L439 HydrophobicContact CB-CG 3.73Å; K437-L439 HydrophobicContact CD-CD1 3.94Å; K437-L439 PolarHBondContact O-N 3.17Å; L439-C441 PolarHBondContact O-N 2.98Å; L439-V446 CarbonylContact C-O 3.53Å; L439-V446 WeakPolarHBondContact CA-O 3.37Å; L439-K447 HydrophobicContact CD2-CG 3.82Å |
| 440 | N | 82.9 | Confident | 81.9 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | trans | -66.5 | 130.3 | 173.7 | -174.8 | -59.6 | 0 | 0 | 0 | 108.8 | V442 L443 V446 T448 F479 N480 | N440-V442 PolarHBondContact O-N 3.32Å; N440-V442 PolarHBondContact OD1-N 3.01Å; N440-L443 HydrophobicContact CB-CB 4.01Å; N440-L443 WeakPolarHBondContact CB-O 3.3Å; N440-L443 CarbonylContact O-C 3.48Å; N440-L443 PolarHBondContact OD1-N 3.29Å; N440-V446 HydrophobicContact CB-CB 4.31Å; N440-V446 WeakPolarHBondContact CB-O 3.37Å; N440-V446 PolarHBondContact N-O 3.05Å; N440-T448 HydrophobicContact CB-CG2 3.99Å; N440-F479 PolarHBondContact ND2-O 3.23Å; N440-N480 PolarHBondContact ND2-OD1 3Å | ||
| 441 | C | 80.8 | Confident | 80.6 | Confident | 12 Ų | 12 | 57.2 Ų | 57.2 | 8% | 0.081 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -69.4 | -18.2 | -174.4 | 65.3 | 0 | 0 | 0 | 0 | 114.2 | W297 S300 P302 I303 L439 | W297-C441 VanDerWaalsContact O-CB 3.31Å; W297-C441 WeakPolarHBondContact O-CB 3.14Å; W297-C441 PolarHBondContact O-N 3.44Å; W297-C441 PolarHBondContact O-SG 3.43Å; S300-C441 WeakPolarHBondContact O-CB 3.26Å; S300-C441 PolarHBondContact O-SG 2.88Å; P302-C441 WeakPolarHBondContact CD-SG 3.45Å; I303-C441 WeakPolarHBondContact CD1-O 3.25Å; I303-C441 WeakPolarHBondContact CG1-O 3.3Å; L439-C441 PolarHBondContact O-N 2.98Å |
| 442 | V | 81 | Confident | 79 | Confident | 74 Ų | 74 | 63.5 Ų | 63.5 | 45% | 0.448 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -103.6 | -51.6 | 175.5 | 178 | 0 | 0 | 0 | 0 | 110.3 | W297 P302 N440 I444 | W297-V442 HydrophobicContact CE3-CG2 4.06Å; W297-V442 HydrophobicContact CZ3-CB 4.48Å; W297-V442 HydrophobicContact CZ3-CG2 3.66Å; P302-V442 HydrophobicContact CG-CG2 3.64Å; N440-V442 PolarHBondContact O-N 3.32Å; N440-V442 PolarHBondContact OD1-N 3.01Å; V442-I444 VanDerWaalsContact C-N 3.31Å; V442-I444 PolarHBondContact O-N 3.33Å |
| 443 | L | 80.1 | Confident | 77.1 | Confident | 73 Ų | 73 | 70.2 Ų | 70.2 | 38% | 0.382 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -83.7 | 75.8 | 174.9 | -61.7 | 172.3 | 0 | 0 | 0 | 109.3 | N440 C445 V446 F475 | N440-L443 HydrophobicContact CB-CB 4.01Å; N440-L443 WeakPolarHBondContact CB-O 3.3Å; N440-L443 CarbonylContact O-C 3.48Å; N440-L443 PolarHBondContact OD1-N 3.29Å; L443-C445 PolarHBondContact O-N 3.44Å; L443-V446 HydrophobicContact CB-CB 3.89Å; L443-V446 HydrophobicContact CB-CG2 3.78Å; L443-V446 HydrophobicContact CD1-CG2 4.25Å; L443-V446 PolarHBondContact O-N 2.87Å; L443-F475 HydrophobicContact CD1-CZ 4.32Å |
| 444 | I | 76.8 | Confident | 74.8 | Confident | 91 Ų | 91 | 71.5 Ų | 71.5 | 47% | 0.467 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.7 | -29.6 | -170.6 | -62.8 | 171 | 0 | 0 | 0 | 114.1 | I303 M434 V442 | I303-I444 HydrophobicContact CD1-CD1 4.22Å; I303-I444 HydrophobicContact CD1-CG1 4.27Å; M434-I444 HydrophobicContact SD-CB 4.22Å; M434-I444 HydrophobicContact SD-CG1 3.96Å; M434-I444 HydrophobicContact SD-CG2 3.74Å; V442-I444 VanDerWaalsContact C-N 3.31Å; V442-I444 PolarHBondContact O-N 3.33Å |
| 445 | C | 78.1 | Confident | 72.6 | Confident | 124 Ų | 124 | 77.6 Ų | 77.6 | 84% | 0.838 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | -3.8 | -178 | -61.5 | 0 | 0 | 0 | 0 | 115.2 | L443 | L443-C445 PolarHBondContact O-N 3.44Š|
| 446 | V | 80.7 | Confident | 70.3 | Confident | 56 Ų | 56 | 85.9 Ų | 85.9 | 34% | 0.339 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -101.1 | 130 | -175.6 | 179.3 | 0 | 0 | 0 | 0 | 109.6 | L439 N440 L443 N480 | L439-V446 CarbonylContact C-O 3.53Å; L439-V446 WeakPolarHBondContact CA-O 3.37Å; N440-V446 HydrophobicContact CB-CB 4.31Å; N440-V446 WeakPolarHBondContact CB-O 3.37Å; N440-V446 PolarHBondContact N-O 3.05Å; L443-V446 HydrophobicContact CB-CB 3.89Å; L443-V446 HydrophobicContact CB-CG2 3.78Å; L443-V446 HydrophobicContact CD1-CG2 4.25Å; L443-V446 PolarHBondContact O-N 2.87Å; V446-N480 WeakPolarHBondContact CG1-OD1 3.47Å |
| 447 | K | 79.8 | Confident | 67.8 | Low | 157 Ų | 157 | 87.4 Ų | 87.4 | 68% | 0.683 | 44% | 0.442 | S | S | * | . | B | Isolated β-bridge | trans | -76.6 | 134.5 | 170.7 | -74.9 | -178.6 | 178.2 | 177.2 | 0 | 110 | S438 L439 N480 | S438-K447 WeakPolarHBondContact O-CA 3.47Å; L439-K447 HydrophobicContact CD2-CG 3.82Å; K447-N480 PolarHBondContact O-ND2 3.35Å; K447-N480 PolarHBondContact O-OD1 3.34Å |
| 448 | T | 77.2 | Confident | 65.5 | Low | 9 Ų | 9 | 91.6 Ų | 91.6 | 6% | 0.055 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 142.7 | 174.4 | 56.6 | 0 | 0 | 0 | 0 | 110.5 | W297 S438 N440 | W297-T448 HydrophobicContact CB-CG2 4.06Å; S438-T448 PolarHBondContact O-N 3.23Å; S438-T448 PolarHBondContact O-OG1 2.95Å; S438-T448 VanDerWaalsContact O-OG1 3.08Å; N440-T448 HydrophobicContact CB-CG2 3.99Å |
| 449 | Q | 73.1 | Confident | 63.4 | Low | 74 Ų | 74 | 96.6 Ų | 96.6 | 35% | 0.346 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 121.2 | 172.9 | -168.8 | 151 | 9 | 0 | 0 | 109.9 | Y451 Q472 T476 N480 G482 | Q449-Y451 PolarHBondContact O-N 2.99Å; Q449-Q472 VanDerWaalsContact CD-NE2 3.3Å; Q449-Q472 VanDerWaalsContact OE1-OE1 3.07Å; Q449-T476 HydrophobicContact CB-CG2 4.17Å; Q449-T476 VanDerWaalsContact OE1-CG2 3.23Å; Q449-N480 PolarHBondContact N-O 2.87Å; Q449-G482 PolarHBondContact O-N 3.39Å; Q449-G482 VanDerWaalsContact O-O 3.1Å |
| 450 | T | 68.7 | Low | 61.5 | Low | 62 Ų | 62 | 99.4 Ų | 99.4 | 38% | 0.38 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 119.3 | -176.4 | -46.1 | 0 | 0 | 0 | 0 | 111.2 | Q452 G482 T483 | T450-Q452 PolarHBondContact O-N 3.37Å; T450-G482 CarbonylContact C-O 3.6Å; T450-G482 WeakPolarHBondContact CA-O 3.39Å; T450-T483 VanDerWaalsContact CG2-O 3.25Å; T450-T483 WeakPolarHBondContact CG2-O 3.39Å |
| 451 | Y | 64.4 | Low | 59.2 | Low | 32 Ų | 32 | 104.7 Ų | 104.7 | 13% | 0.125 | 55% | 0.545 | C | S | . | . | trans | -76.3 | 103.5 | 167.3 | -179 | -99.3 | 0 | 0 | 0 | 109.1 | I289 Q449 K453 L469 G482 | I289-Y451 HydrophobicContact CD1-CG 4.38Å; I289-Y451 HydrophobicContact CG2-CD1 3.61Å; I289-Y451 HydrophobicContact CG2-CE1 3.92Å; I289-Y451 HydrophobicContact CG2-CG 4.25Å; Q449-Y451 PolarHBondContact O-N 2.99Å; Y451-K453 HydrophobicContact CE1-CB 4.16Å; Y451-L469 HydrophobicContact CD2-CD2 4.15Å; Y451-L469 HydrophobicContact CE2-CD1 4.07Å; Y451-L469 HydrophobicContact CE2-CD2 3.91Å; Y451-L469 HydrophobicContact CE2-CG 4.03Å; Y451-G482 PolarHBondContact N-O 3.4Å | ||
| 452 | Q | 57.4 | Low | 57.4 | Low | 143 Ų | 143 | 111 Ų | 111 | 67% | 0.668 | 58% | 0.582 | S | S | * | * | trans | -85.7 | 111.6 | 169.3 | -72.2 | -173.3 | -54 | 0 | 0 | 108.9 | T450 D454 | T450-Q452 PolarHBondContact O-N 3.37Å; Q452-D454 PolarHBondContact O-N 3.46Å | ||
| 453 | K | 49.3 | Very low | 55.4 | Low | 141 Ų | 141 | 110.5 Ų | 110.5 | 61% | 0.613 | 59% | 0.593 | S | S | * | * | trans | -76.7 | 106.1 | 156 | -166.3 | 173.2 | -174.2 | 172.2 | 0 | 104.7 | Y451 Q455 | Y451-K453 HydrophobicContact CE1-CB 4.16Å; K453-Q455 PolarHBondContact O-N 3.22Å | ||
| 454 | D | 40.3 | Very low | 53.5 | Low | 110 Ų | 110 | 114.4 Ų | 114.4 | 59% | 0.588 | 60% | 0.603 | S | S | * | * | trans | -47.9 | 111.8 | 174.3 | -72.6 | -32.3 | 0 | 0 | 0 | 107.7 | Q452 E456 | Q452-D454 PolarHBondContact O-N 3.46Å; D454-E456 PolarHBondContact O-N 2.99Å | ||
| 455 | Q | 39.4 | Very low | 51.8 | Low | 153 Ų | 153 | 113.7 Ų | 113.7 | 72% | 0.715 | 60% | 0.603 | S | S | * | * | trans | -58.6 | 135.8 | 171 | -84.5 | -178.4 | -8 | 0 | 0 | 106.7 | K453 D457 | K453-Q455 PolarHBondContact O-N 3.22Å; Q455-D457 VanDerWaalsContact C-N 3.31Å; Q455-D457 PolarHBondContact O-N 3.25Å | ||
| 456 | E | 35.7 | Very low | 50.4 | Low | 181 Ų | 181 | 109.4 Ų | 109.4 | 85% | 0.846 | 58% | 0.579 | S | S | * | * | trans | -46.3 | 87.6 | 179.7 | -64.4 | 171.4 | 146.7 | 0 | 0 | 112.8 | D454 R458 | D454-E456 PolarHBondContact O-N 2.99Å; E456-R458 VanDerWaalsContact C-N 3.28Å; E456-R458 PolarHBondContact O-N 3.12Å | ||
| 457 | D | 30.3 | Very low | 48.8 | Very low | 158 Ų | 158 | 109.2 Ų | 109.2 | 85% | 0.845 | 58% | 0.58 | S | S | * | * | trans | -67 | 102.7 | 137.2 | -91 | -23.2 | 0 | 0 | 0 | 105.3 | Q455 S459 | Q455-D457 VanDerWaalsContact C-N 3.31Å; Q455-D457 PolarHBondContact O-N 3.25Å; D457-S459 PolarHBondContact O-N 3.47Å | ||
| 458 | R | 35.4 | Very low | 47.6 | Very low | 230 Ų | 230 | 105.1 Ų | 105.1 | 87% | 0.868 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -50.5 | 124.8 | 171.4 | -71.7 | 176.9 | 178 | -179.6 | -1.3 | 108.3 | E456 | E456-R458 VanDerWaalsContact C-N 3.28Å; E456-R458 PolarHBondContact O-N 3.12Å |
| 459 | S | 36.5 | Very low | 46.5 | Very low | 119 Ų | 119 | 105.9 Ų | 105.9 | 83% | 0.832 | 57% | 0.566 | S | S | * | * | S | Bend | trans | 97.1 | 112.2 | 167.8 | -145.2 | 0 | 0 | 0 | 0 | 116.2 | D457 | D457-S459 PolarHBondContact O-N 3.47Š|
| 460 | A | 43 | Very low | 45.7 | Very low | 87 Ų | 87 | 109 Ų | 109 | 72% | 0.719 | 58% | 0.581 | S | S | * | * | S | Bend | trans | 100.4 | 13.8 | 146.8 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||
| 461 | N | 36.2 | Very low | 45.1 | Very low | 112 Ų | 112 | 110.3 Ų | 110.3 | 60% | 0.599 | 59% | 0.592 | S | S | * | * | trans | -138.5 | 64.5 | 170.9 | -82 | -42.3 | 0 | 0 | 0 | 114.9 | G463 | N461-G463 PolarHBondContact O-N 3.4Š| ||
| 462 | V | 42.7 | Very low | 44.8 | Very low | 144 Ų | 144 | 109.9 Ų | 109.9 | 87% | 0.873 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -7.3 | 172 | 175.2 | 0 | 0 | 0 | 0 | 112.8 | ||
| 463 | G | 38.1 | Very low | 45.6 | Very low | 65 Ų | 65 | 105.2 Ų | 105.2 | 67% | 0.67 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | -11.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | N461 | N461-G463 PolarHBondContact O-N 3.4Š|
| 464 | R | 41 | Very low | 46.8 | Very low | 155 Ų | 155 | 104.1 Ų | 104.1 | 59% | 0.585 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -87.8 | -21.9 | -170.8 | -105.2 | -179.6 | 173.9 | 164.6 | -1.5 | 115.4 | G466 S467 F468 | R464-G466 VanDerWaalsContact C-N 3.34Å; R464-G466 PolarHBondContact O-N 3.46Å; R464-S467 WeakPolarHBondContact CA-OG 3.38Å; R464-S467 WeakPolarHBondContact O-CB 3.26Å; R464-S467 PolarHBondContact O-N 3.45Å; R464-S467 PolarHBondContact O-OG 2.9Å; R464-F468 PolarHBondContact O-N 3.19Å |
| 465 | T | 41.6 | Very low | 48.6 | Very low | 76 Ų | 76 | 104.9 Ų | 104.9 | 47% | 0.466 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.4 | -39.2 | 176.6 | 35.2 | 0 | 0 | 0 | 0 | 112.6 | S467 | T465-S467 VanDerWaalsContact C-N 3.35Å |
| 466 | G | 47 | Very low | 50.2 | Low | 33 Ų | 33 | 98.8 Ų | 98.8 | 34% | 0.34 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.1 | -39.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R464 F468 L469 E470 | R464-G466 VanDerWaalsContact C-N 3.34Å; R464-G466 PolarHBondContact O-N 3.46Å; G466-F468 PolarHBondContact O-N 3.45Å; G466-L469 PolarHBondContact O-N 2.87Å; G466-E470 WeakPolarHBondContact O-CB 3.18Å; G466-E470 VanDerWaalsContact O-CG 3.29Å; G466-E470 WeakPolarHBondContact O-CG 3.44Å; G466-E470 PolarHBondContact O-N 3.4Å |
| 467 | S | 48.7 | Very low | 51.8 | Low | 53 Ų | 53 | 93.4 Ų | 93.4 | 37% | 0.371 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.5 | -35.1 | -174.4 | 77.3 | 0 | 0 | 0 | 0 | 115.1 | R464 T465 E470 S471 | R464-S467 WeakPolarHBondContact CA-OG 3.38Å; R464-S467 WeakPolarHBondContact O-CB 3.26Å; R464-S467 PolarHBondContact O-N 3.45Å; R464-S467 PolarHBondContact O-OG 2.9Å; T465-S467 VanDerWaalsContact C-N 3.35Å; S467-E470 PolarHBondContact O-N 2.94Å; S467-S471 WeakPolarHBondContact O-CB 3.36Å; S467-S471 PolarHBondContact O-N 3.38Å |
| 468 | F | 54.7 | Low | 54 | Low | 70 Ų | 70 | 90.3 Ų | 90.3 | 31% | 0.307 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68 | -48.5 | 177.2 | 177.4 | -101.7 | 0 | 0 | 0 | 110.8 | R464 G466 E470 S471 Q472 | R464-F468 PolarHBondContact O-N 3.19Å; G466-F468 PolarHBondContact O-N 3.45Å; F468-E470 VanDerWaalsContact C-N 3.35Å; F468-S471 PolarHBondContact O-N 3Å; F468-S471 PolarHBondContact O-OG 2.61Å; F468-Q472 WeakPolarHBondContact O-CG 3.44Å |
| 469 | L | 53.7 | Low | 56.2 | Low | 25 Ų | 25 | 83.7 Ų | 83.7 | 13% | 0.131 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -60.1 | -46.9 | 173.4 | -74.1 | 169.1 | 0 | 0 | 0 | 109.9 | F294 Y451 G466 S471 Q472 R477 L481 | F294-L469 HydrophobicContact CD2-CD2 4.23Å; F294-L469 HydrophobicContact CE2-CD1 4.06Å; F294-L469 HydrophobicContact CE2-CD2 4Å; Y451-L469 HydrophobicContact CD2-CD2 4.15Å; Y451-L469 HydrophobicContact CE2-CD1 4.07Å; Y451-L469 HydrophobicContact CE2-CD2 3.91Å; Y451-L469 HydrophobicContact CE2-CG 4.03Å; G466-L469 PolarHBondContact O-N 2.87Å; L469-S471 VanDerWaalsContact C-N 3.28Å; L469-S471 PolarHBondContact O-N 3.29Å; L469-Q472 WeakPolarHBondContact O-CB 3.28Å; L469-Q472 PolarHBondContact O-N 3.08Å; L469-Q472 VanDerWaalsContact O-N 3.09Å; L469-R477 PolarHBondContact O-NE 3.27Å; L469-R477 PolarHBondContact O-NH2 2.9Å; L469-L481 HydrophobicContact CD2-CD1 4.09Å |
| 470 | E | 56.3 | Low | 58.4 | Low | 141 Ų | 141 | 79 Ų | 79 | 66% | 0.659 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -60.2 | -30 | 178.9 | -80.3 | 178.4 | 178.3 | 0 | 0 | 114.6 | G466 S467 F468 Q472 R477 | G466-E470 WeakPolarHBondContact O-CB 3.18Å; G466-E470 VanDerWaalsContact O-CG 3.29Å; G466-E470 WeakPolarHBondContact O-CG 3.44Å; G466-E470 PolarHBondContact O-N 3.4Å; S467-E470 PolarHBondContact O-N 2.94Å; F468-E470 VanDerWaalsContact C-N 3.35Å; E470-Q472 VanDerWaalsContact C-N 3.29Å; E470-Q472 PolarHBondContact O-N 3.03Å; E470-R477 PolarHBondContact O-NH2 3.31Å |
| 471 | S | 55.3 | Low | 60.1 | Low | 88 Ų | 88 | 74.8 Ų | 74.8 | 62% | 0.615 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -73.5 | -18.5 | 176.7 | 80.2 | 0 | 0 | 0 | 0 | 114.1 | S467 F468 L469 | S467-S471 WeakPolarHBondContact O-CB 3.36Å; S467-S471 PolarHBondContact O-N 3.38Å; F468-S471 PolarHBondContact O-N 3Å; F468-S471 PolarHBondContact O-OG 2.61Å; L469-S471 VanDerWaalsContact C-N 3.28Å; L469-S471 PolarHBondContact O-N 3.29Å |
| 472 | Q | 59.2 | Low | 61.9 | Low | 24 Ų | 24 | 69.5 Ų | 69.5 | 11% | 0.112 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -84.9 | 138.5 | -176.8 | -64.4 | -70 | -17 | 0 | 0 | 111 | Q449 F468 L469 E470 R477 | Q449-Q472 VanDerWaalsContact CD-NE2 3.3Å; Q449-Q472 VanDerWaalsContact OE1-OE1 3.07Å; F468-Q472 WeakPolarHBondContact O-CG 3.44Å; L469-Q472 WeakPolarHBondContact O-CB 3.28Å; L469-Q472 PolarHBondContact O-N 3.08Å; L469-Q472 VanDerWaalsContact O-N 3.09Å; E470-Q472 VanDerWaalsContact C-N 3.29Å; E470-Q472 PolarHBondContact O-N 3.03Å; Q472-R477 HydrophobicContact CB-CG 3.8Å; Q472-R477 PolarHBondContact O-NE 3.07Å; Q472-R477 PolarHBondContact O-NH2 3.45Å |
| 473 | G | 72.7 | Confident | 63.1 | Low | 45 Ų | 45 | 63.9 Ų | 63.9 | 46% | 0.464 | 36% | 0.36 | S | S | . | . | trans | -59.3 | 148.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F475 T476 R477 | G473-F475 PolarHBondContact O-N 2.88Å; G473-F475 VanDerWaalsContact O-N 3.11Å; G473-T476 PolarHBondContact O-N 3.09Å; G473-R477 PolarHBondContact O-N 2.91Å; G473-R477 VanDerWaalsContact O-N 3.11Å | ||
| 474 | T | 76.1 | Confident | 64.1 | Low | 118 Ų | 118 | 61.1 Ų | 61.1 | 72% | 0.724 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -52.1 | -37.6 | -178 | -38.5 | 0 | 0 | 0 | 0 | 112.2 | R477 L478 | T474-R477 PolarHBondContact O-N 3.34Å; T474-L478 WeakPolarHBondContact O-CB 3.29Å; T474-L478 PolarHBondContact O-N 2.78Å |
| 475 | F | 76.6 | Confident | 64.8 | Low | 125 Ų | 125 | 55 Ų | 55 | 55% | 0.548 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.4 | -48.3 | 175.9 | -178 | -95.6 | 0 | 0 | 0 | 112.5 | L443 G473 R477 L478 F479 | L443-F475 HydrophobicContact CD1-CZ 4.32Å; G473-F475 PolarHBondContact O-N 2.88Å; G473-F475 VanDerWaalsContact O-N 3.11Å; F475-R477 VanDerWaalsContact C-N 3.34Å; F475-R477 PolarHBondContact O-N 3.32Å; F475-L478 PolarHBondContact O-N 3.41Å; F475-F479 HydrophobicContact CD2-CB 4.41Å; F475-F479 AromaticContact CD2-CD2 3.62Å; F475-F479 HydrophobicContact CD2-CD2 3.62Å; F475-F479 HydrophobicContact CD2-CE2 4.36Å; F475-F479 HydrophobicContact CD2-CG 4.4Å; F475-F479 HydrophobicContact CE2-CB 4.12Å; F475-F479 AromaticContact CE2-CD2 3.82Å; F475-F479 HydrophobicContact CE2-CD2 3.82Å; F475-F479 HydrophobicContact CE2-CG 4.23Å; F475-F479 HydrophobicContact CG-CD2 4.35Å; F475-F479 HydrophobicContact CZ-CB 4.18Å; F475-F479 WeakPolarHBondContact O-CA 3.15Å; F475-F479 WeakPolarHBondContact O-CB 3.46Å; F475-F479 PolarHBondContact O-N 3.41Å |
| 476 | T | 73.2 | Confident | 65.1 | Low | 26 Ų | 26 | 57.7 Ų | 57.7 | 16% | 0.16 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63 | -43.4 | 179.1 | -51.5 | 0 | 0 | 0 | 0 | 111 | Q449 G473 L478 N480 L481 | Q449-T476 HydrophobicContact CB-CG2 4.17Å; Q449-T476 VanDerWaalsContact OE1-CG2 3.23Å; G473-T476 PolarHBondContact O-N 3.09Å; T476-L478 VanDerWaalsContact C-N 3.32Å; T476-L478 PolarHBondContact O-N 3Å; T476-N480 HydrophobicContact CG2-CB 4.21Å; T476-N480 CarbonylContact O-C 3.52Å; T476-N480 PolarHBondContact O-N 3.16Å; T476-L481 PolarHBondContact O-N 3.27Å |
| 477 | R | 70.5 | Confident | 65 | Low | 67 Ų | 67 | 60.3 Ų | 60.3 | 25% | 0.253 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.8 | -42.6 | 178.6 | -65.6 | -170.9 | -150.1 | -172.9 | 5 | 112.4 | F294 L469 E470 Q472 G473 T474 F475 L481 | F294-R477 WeakPolarHBondContact CD1-O 3.46Å; F294-R477 HydrophobicContact CE1-CB 4.08Å; L469-R477 PolarHBondContact O-NE 3.27Å; L469-R477 PolarHBondContact O-NH2 2.9Å; E470-R477 PolarHBondContact O-NH2 3.31Å; Q472-R477 HydrophobicContact CB-CG 3.8Å; Q472-R477 PolarHBondContact O-NE 3.07Å; Q472-R477 PolarHBondContact O-NH2 3.45Å; G473-R477 PolarHBondContact O-N 2.91Å; G473-R477 VanDerWaalsContact O-N 3.11Å; T474-R477 PolarHBondContact O-N 3.34Å; F475-R477 VanDerWaalsContact C-N 3.34Å; F475-R477 PolarHBondContact O-N 3.32Å; R477-L481 VanDerWaalsContact O-CD1 3.31Å; R477-L481 WeakPolarHBondContact O-CD1 3.22Å |
| 478 | L | 75.4 | Confident | 64.5 | Low | 93 Ų | 93 | 66 Ų | 66 | 49% | 0.487 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -85.9 | -36.5 | -174.1 | -153.7 | 69.9 | 0 | 0 | 0 | 112.5 | W297 T474 F475 T476 | W297-L478 PolarHBondContact NE1-O 3.32Å; T474-L478 WeakPolarHBondContact O-CB 3.29Å; T474-L478 PolarHBondContact O-N 2.78Å; F475-L478 PolarHBondContact O-N 3.41Å; T476-L478 VanDerWaalsContact C-N 3.32Å; T476-L478 PolarHBondContact O-N 3Å |
| 479 | F | 81.6 | Confident | 63.8 | Low | 92 Ų | 92 | 67.4 Ų | 67.4 | 40% | 0.404 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -121.4 | -6.8 | -165.9 | -61 | -67.4 | 0 | 0 | 0 | 116 | W297 N440 F475 | W297-F479 VanDerWaalsContact CD1-C 3.41Å; W297-F479 AromaticContact CZ2-CD1 3.97Å; W297-F479 HydrophobicContact CZ2-CD1 3.97Å; W297-F479 VanDerWaalsContact NE1-C 3.32Å; W297-F479 VanDerWaalsContact NE1-CA 3.31Å; N440-F479 PolarHBondContact ND2-O 3.23Å; F475-F479 HydrophobicContact CD2-CB 4.41Å; F475-F479 AromaticContact CD2-CD2 3.62Å; F475-F479 HydrophobicContact CD2-CD2 3.62Å; F475-F479 HydrophobicContact CD2-CE2 4.36Å; F475-F479 HydrophobicContact CD2-CG 4.4Å; F475-F479 HydrophobicContact CE2-CB 4.12Å; F475-F479 AromaticContact CE2-CD2 3.82Å; F475-F479 HydrophobicContact CE2-CD2 3.82Å; F475-F479 HydrophobicContact CE2-CG 4.23Å; F475-F479 HydrophobicContact CG-CD2 4.35Å; F475-F479 HydrophobicContact CZ-CB 4.18Å; F475-F479 WeakPolarHBondContact O-CA 3.15Å; F475-F479 WeakPolarHBondContact O-CB 3.46Å; F475-F479 PolarHBondContact O-N 3.41Å |
| 480 | N | 82.1 | Confident | 63.2 | Low | 19 Ų | 19 | 69.3 Ų | 69.3 | 10% | 0.102 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -138.6 | 13.5 | -174.8 | -156.3 | 34.7 | 0 | 0 | 0 | 116.1 | N440 V446 K447 Q449 T476 | N440-N480 PolarHBondContact ND2-OD1 3Å; V446-N480 WeakPolarHBondContact CG1-OD1 3.47Å; K447-N480 PolarHBondContact O-ND2 3.35Å; K447-N480 PolarHBondContact O-OD1 3.34Å; Q449-N480 PolarHBondContact N-O 2.87Å; T476-N480 HydrophobicContact CG2-CB 4.21Å; T476-N480 CarbonylContact O-C 3.52Å; T476-N480 PolarHBondContact O-N 3.16Å |
| 481 | L | 78.8 | Confident | 62.1 | Low | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 143.7 | 170.2 | -72.7 | 177.3 | 0 | 0 | 0 | 111.8 | I289 F294 W297 L469 T476 R477 | I289-L481 HydrophobicContact CD1-CB 4.13Å; F294-L481 HydrophobicContact CB-CD1 3.92Å; F294-L481 HydrophobicContact CD1-CD1 4.26Å; F294-L481 HydrophobicContact CD2-CD1 4.3Å; F294-L481 HydrophobicContact CG-CD1 3.9Å; W297-L481 WeakPolarHBondContact CB-O 3.34Å; W297-L481 VanDerWaalsContact CD1-O 3.31Å; W297-L481 PolarHBondContact N-O 3.1Å; L469-L481 HydrophobicContact CD2-CD1 4.09Å; T476-L481 PolarHBondContact O-N 3.27Å; R477-L481 VanDerWaalsContact O-CD1 3.31Å; R477-L481 WeakPolarHBondContact O-CD1 3.22Å |
| 482 | G | 73.9 | Confident | 61.3 | Low | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 162 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | D296 Q449 T450 Y451 | D296-G482 VanDerWaalsContact OD1-CA 3.32Å; D296-G482 WeakPolarHBondContact OD1-CA 3.43Å; Q449-G482 PolarHBondContact O-N 3.39Å; Q449-G482 VanDerWaalsContact O-O 3.1Å; T450-G482 CarbonylContact C-O 3.6Å; T450-G482 WeakPolarHBondContact CA-O 3.39Å; Y451-G482 PolarHBondContact N-O 3.4Å |
| 483 | T | 68.3 | Low | 60.2 | Low | 26 Ų | 26 | 74.1 Ų | 74.1 | 16% | 0.16 | 43% | 0.429 | C | S | . | . | trans | -83.1 | -10 | -178.2 | 54.9 | 0 | 0 | 0 | 0 | 115.3 | I289 D296 S298 T450 R499 | I289-T483 HydrophobicContact CD1-CG2 4.49Å; I289-T483 HydrophobicContact CG1-CG2 4.11Å; I289-T483 HydrophobicContact CG2-CG2 4Å; D296-T483 PolarHBondContact OD1-N 2.89Å; D296-T483 WeakPolarHBondContact OD2-CG2 3.21Å; D296-T483 PolarHBondContact OD2-OG1 3.1Å; D296-T483 VanDerWaalsContact OD2-OG1 3.05Å; S298-T483 PolarHBondContact OG-N 3.19Å; T450-T483 VanDerWaalsContact CG2-O 3.25Å; T450-T483 WeakPolarHBondContact CG2-O 3.39Å; T483-R499 PolarHBondContact OG1-NH1 2.99Å | ||
| 484 | G | 60.2 | Low | 58.4 | Low | 8 Ų | 8 | 77 Ų | 77 | 8% | 0.082 | 44% | 0.442 | C | S | . | . | trans | 65.3 | 123.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N486 | G484-N486 VanDerWaalsContact C-N 3.34Å; G484-N486 PolarHBondContact O-N 2.87Å | ||
| 485 | V | 55.7 | Low | 56.7 | Low | 25 Ų | 25 | 77.7 Ų | 77.7 | 15% | 0.152 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -79.5 | -17.8 | -176.7 | -179.3 | 0 | 0 | 0 | 0 | 112.5 | P361 E435 S438 I487 | P361-V485 HydrophobicContact CB-CG1 3.77Å; E435-V485 HydrophobicContact CG-CG2 4.08Å; S438-V485 PolarHBondContact OG-N 2.97Å; V485-I487 VanDerWaalsContact C-N 3.28Å; V485-I487 PolarHBondContact O-N 3.42Å; V485-I487 VanDerWaalsContact O-N 3.07Å |
| 486 | N | 46.4 | Very low | 55 | Low | 134 Ų | 134 | 75.5 Ų | 75.5 | 72% | 0.717 | 43% | 0.432 | S | S | * | . | trans | -86.1 | 43.8 | -172.4 | -72.5 | -30.2 | 0 | 0 | 0 | 114.4 | G484 Q488 | G484-N486 VanDerWaalsContact C-N 3.34Å; G484-N486 PolarHBondContact O-N 2.87Å; N486-Q488 PolarHBondContact O-N 3.26Å | ||
| 487 | I | 45.8 | Very low | 53.6 | Low | 87 Ų | 87 | 79.3 Ų | 79.3 | 45% | 0.446 | 46% | 0.457 | S | S | . | . | trans | -79.9 | 105.5 | 165.9 | -56.9 | 175.9 | 0 | 0 | 0 | 106.9 | V485 | V485-I487 VanDerWaalsContact C-N 3.28Å; V485-I487 PolarHBondContact O-N 3.42Å; V485-I487 VanDerWaalsContact O-N 3.07Å | ||
| 488 | Q | 37.7 | Very low | 52.8 | Low | 174 Ų | 174 | 79.4 Ų | 79.4 | 81% | 0.813 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -59 | 131.5 | 165.2 | -72 | 174.7 | 2.9 | 0 | 0 | 107.7 | N486 A490 | N486-Q488 PolarHBondContact O-N 3.26Å; Q488-A490 PolarHBondContact O-N 3.03Å |
| 489 | P | 40.3 | Very low | 51.9 | Low | 98 Ų | 98 | 78.5 Ų | 78.5 | 64% | 0.636 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 130.4 | 179 | 23.5 | -31.7 | 0 | 0 | 0 | 108.8 | K491 | P489-K491 PolarHBondContact O-N 2.97Š|
| 490 | A | 40.7 | Very low | 50.8 | Low | 65 Ų | 65 | 78.6 Ų | 78.6 | 54% | 0.537 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -48.3 | 130.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | Q488 G492 G493 | Q488-A490 PolarHBondContact O-N 3.03Å; A490-G492 PolarHBondContact O-N 3.24Å; A490-G493 PolarHBondContact O-N 2.89Å |
| 491 | K | 34.6 | Very low | 50.2 | Low | 223 Ų | 223 | 79.4 Ų | 79.4 | 97% | 0.97 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | 108.8 | -177.9 | -72.4 | 176.3 | 177.1 | 174.6 | 0 | 109.5 | P489 | P489-K491 PolarHBondContact O-N 2.97Š|
| 492 | G | 38.5 | Very low | 49.8 | Very low | 87 Ų | 87 | 86.9 Ų | 86.9 | 90% | 0.897 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.8 | 1.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | A490 | A490-G492 PolarHBondContact O-N 3.24Š|
| 493 | G | 35.1 | Very low | 49.8 | Very low | 45 Ų | 45 | 87.9 Ų | 87.9 | 46% | 0.464 | 50% | 0.496 | S | S | . | . | trans | -74 | 134 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A490 | A490-G493 PolarHBondContact O-N 2.89Š| ||
| 494 | S | 34.7 | Very low | 50.1 | Low | 104 Ų | 104 | 87.6 Ų | 87.6 | 73% | 0.727 | 49% | 0.492 | S | S | * | . | trans | -51.6 | 150.4 | 169.1 | 42.8 | 0 | 0 | 0 | 0 | 111.1 | E496 | S494-E496 PolarHBondContact O-N 2.78Å; S494-E496 VanDerWaalsContact O-N 3.09Å | ||
| 495 | L | 40.4 | Very low | 50.9 | Low | 133 Ų | 133 | 90.6 Ų | 90.6 | 70% | 0.696 | 50% | 0.503 | S | S | * | . | trans | -39.3 | 119.6 | 170.9 | -162.5 | 83.1 | 0 | 0 | 0 | 108.5 | ||||
| 496 | E | 41.3 | Very low | 52.2 | Low | 80 Ų | 80 | 93.4 Ų | 93.4 | 37% | 0.374 | 52% | 0.516 | S | S | . | . | trans | -49.7 | 130.4 | -178.5 | -77.6 | -153.1 | 154.6 | 0 | 0 | 109.1 | S494 I498 | S494-E496 PolarHBondContact O-N 2.78Å; S494-E496 VanDerWaalsContact O-N 3.09Å; E496-I498 PolarHBondContact O-N 3.43Å | ||
| 497 | P | 42.9 | Very low | 54.1 | Low | 106 Ų | 106 | 87.9 Ų | 87.9 | 69% | 0.688 | 49% | 0.486 | S | S | * | . | trans | -57.7 | 130.9 | -176.9 | 21.8 | -30.6 | 0 | 0 | 0 | 108.8 | R499 | P497-R499 PolarHBondContact O-N 3.03Š| ||
| 498 | I | 53.4 | Low | 55.7 | Low | 69 Ų | 69 | 85.8 Ų | 85.8 | 35% | 0.354 | 47% | 0.474 | S | S | . | . | trans | -40.7 | 114.2 | 170.7 | -63.4 | 164 | 0 | 0 | 0 | 107.5 | R358 E496 R500 | R358-I498 WeakPolarHBondContact O-CG2 3.35Å; E496-I498 PolarHBondContact O-N 3.43Å; I498-R500 WeakPolarHBondContact O-CG 3Å; I498-R500 PolarHBondContact O-N 3.07Å; I498-R500 VanDerWaalsContact O-N 3.09Å | ||
| 499 | R | 56.5 | Low | 58 | Low | 73 Ų | 73 | 82.6 Ų | 82.6 | 28% | 0.275 | 46% | 0.463 | S | S | . | . | trans | -66.7 | 111.7 | -171.3 | -165.1 | 174.8 | -172 | -159.8 | -2.9 | 109.2 | D290 D296 T483 P497 | D290-R499 IonicContact OD2-CZ 3.95Å; D290-R499 IonicContact OD2-NE 2.94Å; D290-R499 PolarHBondContact OD2-NE 3.35Å; D290-R499 IonicContact OD2-NH2 2.76Å; D290-R499 PolarHBondContact OD2-NH2 3.38Å; D296-R499 IonicContact OD2-CZ 2.96Å; D296-R499 IonicContact OD2-NH1 3.57Å; D296-R499 PolarHBondContact OD2-NH1 3.43Å; T483-R499 PolarHBondContact OG1-NH1 2.99Å; P497-R499 PolarHBondContact O-N 3.03Å | ||
| 500 | R | 60.1 | Low | 60.2 | Low | 94 Ų | 94 | 86 Ų | 86 | 36% | 0.355 | 46% | 0.463 | S | S | . | . | trans | -92.3 | 126.6 | -177.3 | -53.7 | -177.7 | -163 | 162.8 | 7.4 | 109.3 | I498 Q504 K505 E508 | I498-R500 WeakPolarHBondContact O-CG 3Å; I498-R500 PolarHBondContact O-N 3.07Å; I498-R500 VanDerWaalsContact O-N 3.09Å; R500-Q504 HydrophobicContact CB-CB 4.43Å; R500-K505 HydrophobicContact CB-CD 4.49Å; R500-K505 HydrophobicContact CB-CG 3.75Å; R500-K505 WeakPolarHBondContact O-CE 3.37Å; R500-K505 PolarHBondContact O-NZ 2.76Å; R500-E508 WeakPolarHBondContact CD-OE2 3.41Å; R500-E508 IonicContact CZ-OE2 2.81Å; R500-E508 VanDerWaalsContact CZ-OE2 3.29Å; R500-E508 IonicContact NE-OE2 2.75Å; R500-E508 PolarHBondContact NE-OE2 3.39Å; R500-E508 IonicContact NH1-OE2 2.77Å; R500-E508 PolarHBondContact NH1-OE2 2.93Å | ||
| 501 | D | 68 | Low | 62.7 | Low | 37 Ų | 37 | 85.1 Ų | 85.1 | 20% | 0.198 | 45% | 0.446 | C | S | . | . | trans | -59.9 | 156.3 | 171 | -72 | -44.8 | 0 | 0 | 0 | 110.4 | S287 R357 A503 Q504 K505 | S287-D501 PolarHBondContact OG-OD1 2.77Å; R357-D501 WeakPolarHBondContact CD-OD2 3.49Å; R357-D501 IonicContact CZ-OD2 2.73Å; R357-D501 IonicContact NE-OD2 3.26Å; R357-D501 IonicContact NH1-OD1 3.25Å; R357-D501 IonicContact NH1-OD2 3.16Å; R357-D501 PolarHBondContact NH1-OD2 3.48Å; D501-A503 VanDerWaalsContact C-N 3.25Å; D501-A503 PolarHBondContact O-N 2.98Å; D501-Q504 PolarHBondContact O-N 2.88Å; D501-K505 PolarHBondContact O-N 3.42Å | ||
| 502 | F | 71.6 | Confident | 65.3 | Low | 156 Ų | 156 | 74.6 Ų | 74.6 | 68% | 0.684 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -51.4 | -44.5 | 176.8 | 174.4 | -99.9 | 0 | 0 | 0 | 112.4 | Q504 K505 M506 | F502-Q504 VanDerWaalsContact C-N 3.35Å; F502-Q504 PolarHBondContact O-N 3.44Å; F502-K505 PolarHBondContact O-N 2.69Å; F502-M506 HydrophobicContact CD1-CG 4.31Å; F502-M506 HydrophobicContact CE1-CG 3.85Å; F502-M506 HydrophobicContact CE1-SD 4.43Å; F502-M506 HydrophobicContact CE2-CG 4.07Å; F502-M506 HydrophobicContact CE2-SD 4.29Å; F502-M506 HydrophobicContact CZ-CG 3.71Å; F502-M506 HydrophobicContact CZ-SD 3.84Å; F502-M506 WeakPolarHBondContact O-CG 3.37Å; F502-M506 PolarHBondContact O-N 3.31Å |
| 503 | A | 74.1 | Confident | 67.7 | Low | 22 Ų | 22 | 72.8 Ų | 72.8 | 18% | 0.182 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D501 M506 L507 W829 | D501-A503 VanDerWaalsContact C-N 3.25Å; D501-A503 PolarHBondContact O-N 2.98Å; A503-M506 PolarHBondContact O-N 3.49Å; A503-L507 VanDerWaalsContact O-CG 3.28Å; A503-L507 WeakPolarHBondContact O-CG 3.47Å; A503-L507 PolarHBondContact O-N 3.33Å; A503-W829 HydrophobicContact CB-CD2 3.7Å; A503-W829 HydrophobicContact CB-CE3 3.66Å; A503-W829 HydrophobicContact CB-CG 4.32Å; A503-W829 HydrophobicContact CB-CH2 4.12Å; A503-W829 HydrophobicContact CB-CZ2 4.15Å; A503-W829 HydrophobicContact CB-CZ3 3.88Å |
| 504 | Q | 74.7 | Confident | 70.5 | Confident | 20 Ų | 20 | 73.6 Ų | 73.6 | 9% | 0.093 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67 | -40.4 | 178.5 | -168.6 | 177.8 | 12.8 | 0 | 0 | 111.8 | R500 D501 F502 L507 E508 S825 | R500-Q504 HydrophobicContact CB-CB 4.43Å; D501-Q504 PolarHBondContact O-N 2.88Å; F502-Q504 VanDerWaalsContact C-N 3.35Å; F502-Q504 PolarHBondContact O-N 3.44Å; Q504-L507 PolarHBondContact O-N 3.25Å; Q504-E508 WeakPolarHBondContact O-CB 3.46Å; Q504-E508 PolarHBondContact O-N 3.41Å; Q504-S825 WeakPolarHBondContact CG-O 3.42Å; Q504-S825 PolarHBondContact NE2-O 3.06Å |
| 505 | K | 77 | Confident | 73.3 | Confident | 70 Ų | 70 | 69 Ų | 69 | 30% | 0.304 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.5 | -48.8 | 174 | -69.9 | 172.6 | 178.5 | 163 | 0 | 110.9 | D290 R500 D501 F502 L507 E508 D509 | D290-K505 IonicContact OD1-NZ 3.92Å; D290-K505 PolarHBondContact OD1-NZ 3.42Å; R500-K505 HydrophobicContact CB-CD 4.49Å; R500-K505 HydrophobicContact CB-CG 3.75Å; R500-K505 WeakPolarHBondContact O-CE 3.37Å; R500-K505 PolarHBondContact O-NZ 2.76Å; D501-K505 PolarHBondContact O-N 3.42Å; F502-K505 PolarHBondContact O-N 2.69Å; K505-L507 VanDerWaalsContact C-N 3.31Å; K505-L507 PolarHBondContact O-N 2.66Å; K505-E508 PolarHBondContact O-N 3.5Å; K505-D509 VanDerWaalsContact O-CB 3.25Å; K505-D509 WeakPolarHBondContact O-CB 3.35Å; K505-D509 VanDerWaalsContact O-CG 3.31Å; K505-D509 PolarHBondContact O-N 2.91Å |
| 506 | M | 83.1 | Confident | 75.8 | Confident | 85 Ų | 85 | 63 Ų | 63 | 42% | 0.419 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.2 | -40.9 | 177.1 | -70.5 | -86.6 | 81.4 | 0 | 0 | 112.7 | F502 A503 W510 Y511 | F502-M506 HydrophobicContact CD1-CG 4.31Å; F502-M506 HydrophobicContact CE1-CG 3.85Å; F502-M506 HydrophobicContact CE1-SD 4.43Å; F502-M506 HydrophobicContact CE2-CG 4.07Å; F502-M506 HydrophobicContact CE2-SD 4.29Å; F502-M506 HydrophobicContact CZ-CG 3.71Å; F502-M506 HydrophobicContact CZ-SD 3.84Å; F502-M506 WeakPolarHBondContact O-CG 3.37Å; F502-M506 PolarHBondContact O-N 3.31Å; A503-M506 PolarHBondContact O-N 3.49Å; M506-W510 WeakPolarHBondContact O-CB 3.45Å; M506-W510 PolarHBondContact O-N 2.87Å; M506-Y511 PolarHBondContact O-N 2.71Å; M506-Y511 VanDerWaalsContact O-N 3.15Å |
| 507 | L | 84.6 | Confident | 78.2 | Confident | 18 Ų | 18 | 64 Ų | 64 | 9% | 0.094 | 31% | 0.309 | C | S | . | . | I | π-helix | trans | -67.3 | -39.9 | 178.3 | -72.3 | 168.6 | 0 | 0 | 0 | 112.8 | A503 Q504 K505 Y511 A512 T828 W829 | A503-L507 VanDerWaalsContact O-CG 3.28Å; A503-L507 WeakPolarHBondContact O-CG 3.47Å; A503-L507 PolarHBondContact O-N 3.33Å; Q504-L507 PolarHBondContact O-N 3.25Å; K505-L507 VanDerWaalsContact C-N 3.31Å; K505-L507 PolarHBondContact O-N 2.66Å; L507-Y511 HydrophobicContact CD2-CD1 3.93Å; L507-Y511 HydrophobicContact CD2-CG 4.21Å; L507-A512 WeakPolarHBondContact O-CB 3.25Å; L507-A512 PolarHBondContact O-N 2.93Å; L507-T828 HydrophobicContact CD1-CG2 4.15Å; L507-T828 HydrophobicContact CD2-CG2 3.57Å; L507-W829 HydrophobicContact CD1-CB 3.74Å |
| 508 | E | 81.2 | Confident | 80.6 | Confident | 42 Ų | 42 | 63.4 Ų | 63.4 | 20% | 0.196 | 31% | 0.305 | C | S | . | . | I | π-helix | trans | -76.4 | -42.1 | -179.4 | -165.3 | 164.2 | -146.2 | 0 | 0 | 112.9 | R500 Q504 K505 P513 R822 | R500-E508 WeakPolarHBondContact CD-OE2 3.41Å; R500-E508 IonicContact CZ-OE2 2.81Å; R500-E508 VanDerWaalsContact CZ-OE2 3.29Å; R500-E508 IonicContact NE-OE2 2.75Å; R500-E508 PolarHBondContact NE-OE2 3.39Å; R500-E508 IonicContact NH1-OE2 2.77Å; R500-E508 PolarHBondContact NH1-OE2 2.93Å; Q504-E508 WeakPolarHBondContact O-CB 3.46Å; Q504-E508 PolarHBondContact O-N 3.41Å; K505-E508 PolarHBondContact O-N 3.5Å; E508-P513 VanDerWaalsContact O-CD 3.23Å; E508-P513 WeakPolarHBondContact O-CD 3.41Å; E508-R822 IonicContact OE1-NH1 3.82Å; E508-R822 PolarHBondContact OE1-NH1 3.18Å |
| 509 | D | 85.1 | Confident | 82.5 | Confident | 107 Ų | 107 | 64.3 Ų | 64.3 | 57% | 0.572 | 31% | 0.314 | S | S | * | . | I | π-helix | trans | -89.5 | -31.5 | -170.2 | -62.9 | -25.1 | 0 | 0 | 0 | 112.7 | K505 P513 | K505-D509 VanDerWaalsContact O-CB 3.25Å; K505-D509 WeakPolarHBondContact O-CB 3.35Å; K505-D509 VanDerWaalsContact O-CG 3.31Å; K505-D509 PolarHBondContact O-N 2.91Å; D509-P513 WeakPolarHBondContact O-CG 3.49Å |
| 510 | W | 87.5 | Confident | 84.3 | Confident | 169 Ų | 169 | 64.1 Ų | 64.1 | 64% | 0.64 | 32% | 0.317 | S | S | * | . | I | π-helix | trans | -114.4 | -59.4 | -175 | -173.7 | 76.6 | 0 | 0 | 0 | 112.8 | M506 P513 V514 | M506-W510 WeakPolarHBondContact O-CB 3.45Å; M506-W510 PolarHBondContact O-N 2.87Å; W510-P513 WeakPolarHBondContact O-CD 3.44Å; W510-V514 WeakPolarHBondContact O-CB 3.31Å; W510-V514 WeakPolarHBondContact O-CG2 3.44Å; W510-V514 PolarHBondContact O-N 3.46Å |
| 511 | Y | 91.6 | Very high | 85.9 | Confident | 48 Ų | 48 | 61.5 Ų | 61.5 | 19% | 0.188 | 31% | 0.307 | C | S | . | . | I | π-helix | trans | -66.1 | -52 | -172.7 | 176.9 | -105.4 | 0 | 0 | 0 | 113 | M506 L507 V514 L515 I824 I872 | M506-Y511 PolarHBondContact O-N 2.71Å; M506-Y511 VanDerWaalsContact O-N 3.15Å; L507-Y511 HydrophobicContact CD2-CD1 3.93Å; L507-Y511 HydrophobicContact CD2-CG 4.21Å; Y511-V514 PolarHBondContact O-N 3.25Å; Y511-L515 HydrophobicContact CE1-CD2 4.09Å; Y511-L515 PolarHBondContact O-N 3.21Å; Y511-L515 WeakPolarHBondContact OH-CD2 3.1Å; Y511-I824 HydrophobicContact CD1-CG2 3.51Å; Y511-I824 HydrophobicContact CE1-CG2 3.62Å; Y511-I872 HydrophobicContact CE1-CG2 3.89Å; Y511-I872 WeakPolarHBondContact OH-CG2 3.46Å; Y511-I872 PolarHBondContact OH-O 3.41Å |
| 512 | A | 89.6 | Confident | 87.2 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.008 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.6 | -42.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L507 M516 K821 I824 | L507-A512 WeakPolarHBondContact O-CB 3.25Å; L507-A512 PolarHBondContact O-N 2.93Å; A512-M516 VanDerWaalsContact O-CB 3.28Å; A512-M516 WeakPolarHBondContact O-CB 3.35Å; A512-M516 WeakPolarHBondContact O-CG 3.46Å; A512-M516 PolarHBondContact O-N 3.48Å; A512-M516 VanDerWaalsContact O-N 3.12Å; A512-K821 HydrophobicContact CB-CB 4.13Å; A512-K821 HydrophobicContact CB-CG 4.18Å; A512-I824 HydrophobicContact CB-CB 4.2Å; A512-I824 HydrophobicContact CB-CG2 3.84Å |
| 513 | P | 90.3 | Very high | 88.3 | Confident | 50 Ų | 50 | 64.5 Ų | 64.5 | 33% | 0.325 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.3 | -41 | 174 | -26.9 | 38 | 0 | 0 | 0 | 113.7 | E508 D509 W510 M516 H517 | E508-P513 VanDerWaalsContact O-CD 3.23Å; E508-P513 WeakPolarHBondContact O-CD 3.41Å; D509-P513 WeakPolarHBondContact O-CG 3.49Å; W510-P513 WeakPolarHBondContact O-CD 3.44Å; P513-M516 CarbonylContact O-C 3.5Å; P513-M516 PolarHBondContact O-N 2.79Å; P513-H517 PolarHBondContact O-N 3.49Å; P513-H517 VanDerWaalsContact O-N 3.15Å |
| 514 | V | 93.3 | Very high | 89.4 | Confident | 61 Ų | 61 | 63.9 Ų | 63.9 | 37% | 0.37 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.8 | -49.9 | 179.2 | 169.7 | 0 | 0 | 0 | 0 | 110.9 | W510 Y511 M516 H517 M520 | W510-V514 WeakPolarHBondContact O-CB 3.31Å; W510-V514 WeakPolarHBondContact O-CG2 3.44Å; W510-V514 PolarHBondContact O-N 3.46Å; Y511-V514 PolarHBondContact O-N 3.25Å; V514-M516 PolarHBondContact O-N 3.23Å; V514-H517 WeakPolarHBondContact O-CB 3.34Å; V514-H517 PolarHBondContact O-N 2.78Å; V514-M520 HydrophobicContact CG1-CG 4.27Å; V514-M520 WeakPolarHBondContact O-CB 3.14Å; V514-M520 VanDerWaalsContact O-CG 3.27Å; V514-M520 WeakPolarHBondContact O-CG 3.4Å |
| 515 | L | 92.6 | Very high | 90.3 | Very high | 9 Ų | 9 | 65.1 Ų | 65.1 | 5% | 0.047 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.3 | -35.3 | 178.4 | -178.4 | 62.3 | 0 | 0 | 0 | 111.8 | Y511 H517 V524 I824 I872 V873 P876 V877 | Y511-L515 HydrophobicContact CE1-CD2 4.09Å; Y511-L515 PolarHBondContact O-N 3.21Å; Y511-L515 WeakPolarHBondContact OH-CD2 3.1Å; L515-H517 PolarHBondContact O-N 2.98Å; L515-V524 HydrophobicContact CD1-CG2 3.99Å; L515-I824 HydrophobicContact CD2-CD1 3.74Å; L515-I872 WeakPolarHBondContact CD2-O 3.44Å; L515-V873 HydrophobicContact CD1-CG1 4.13Å; L515-P876 HydrophobicContact CD2-CB 4.48Å; L515-V877 HydrophobicContact CD1-CG2 3.77Å; L515-V877 HydrophobicContact CD2-CG2 4.4Å; L515-V877 HydrophobicContact CG-CG2 3.96Å |
| 516 | M | 92.6 | Very high | 91.3 | Very high | 7 Ų | 7 | 64.6 Ų | 64.6 | 3% | 0.034 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 2.9 | 177.9 | -66.5 | -66.2 | 139.8 | 0 | 0 | 113.5 | A512 P513 V514 R521 A820 K821 I824 P876 | A512-M516 VanDerWaalsContact O-CB 3.28Å; A512-M516 WeakPolarHBondContact O-CB 3.35Å; A512-M516 WeakPolarHBondContact O-CG 3.46Å; A512-M516 PolarHBondContact O-N 3.48Å; A512-M516 VanDerWaalsContact O-N 3.12Å; P513-M516 CarbonylContact O-C 3.5Å; P513-M516 PolarHBondContact O-N 2.79Å; V514-M516 PolarHBondContact O-N 3.23Å; M516-R521 PolarHBondContact O-NE 3.01Å; M516-R521 PolarHBondContact O-NH2 3.15Å; M516-A820 HydrophobicContact CE-CB 3.54Å; M516-A820 HydrophobicContact SD-CB 3.75Å; M516-K821 HydrophobicContact CB-CG 4.25Å; M516-K821 HydrophobicContact CG-CG 3.73Å; M516-I824 HydrophobicContact CE-CD1 3.67Å; M516-P876 HydrophobicContact CE-CB 3.96Å |
| 517 | H | 92.9 | Very high | 91.9 | Very high | 101 Ų | 101 | 66.3 Ų | 66.3 | 47% | 0.468 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -69.7 | 138.2 | 173 | -168.1 | -93.3 | 0 | 0 | 0 | 111.1 | P513 V514 L515 V519 M520 R521 | P513-H517 PolarHBondContact O-N 3.49Å; P513-H517 VanDerWaalsContact O-N 3.15Å; V514-H517 WeakPolarHBondContact O-CB 3.34Å; V514-H517 PolarHBondContact O-N 2.78Å; L515-H517 PolarHBondContact O-N 2.98Å; H517-V519 VanDerWaalsContact C-N 3.32Å; H517-V519 PolarHBondContact ND1-N 2.92Å; H517-V519 PolarHBondContact O-N 3.27Å; H517-M520 HydrophobicContact CB-CB 4.32Å; H517-M520 HydrophobicContact CB-CG 4.19Å; H517-M520 PolarHBondContact O-N 2.75Å; H517-R521 WeakPolarHBondContact O-CG 3.32Å; H517-R521 PolarHBondContact O-N 3.38Å |
| 518 | P | 92 | Very high | 92.5 | Very high | 93 Ų | 93 | 66.3 Ų | 66.3 | 60% | 0.604 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -54.5 | -41.8 | -174.7 | -27.7 | 34.6 | 0 | 0 | 0 | 114.7 | R521 F522 | P518-R521 PolarHBondContact O-N 2.94Å; P518-F522 PolarHBondContact O-N 3.38Å; P518-F522 VanDerWaalsContact O-N 3.12Å |
| 519 | V | 94.2 | Very high | 93.2 | Very high | 87 Ų | 87 | 69.1 Ų | 69.1 | 53% | 0.527 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.7 | -44 | 177.5 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | H517 R521 F522 M523 | H517-V519 VanDerWaalsContact C-N 3.32Å; H517-V519 PolarHBondContact ND1-N 2.92Å; H517-V519 PolarHBondContact O-N 3.27Å; V519-R521 VanDerWaalsContact C-N 3.35Å; V519-R521 PolarHBondContact O-N 3.49Å; V519-F522 PolarHBondContact O-N 3.29Å; V519-M523 HydrophobicContact CG1-SD 4.35Å; V519-M523 WeakPolarHBondContact O-CG 3.38Å; V519-M523 PolarHBondContact O-N 2.94Å |
| 520 | M | 93.9 | Very high | 93.7 | Very high | 69 Ų | 69 | 68.9 Ų | 68.9 | 34% | 0.34 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65 | -39.7 | 179 | -68.8 | -54.9 | -60.7 | 0 | 0 | 111.3 | V514 H517 F522 M523 V524 | V514-M520 HydrophobicContact CG1-CG 4.27Å; V514-M520 WeakPolarHBondContact O-CB 3.14Å; V514-M520 VanDerWaalsContact O-CG 3.27Å; V514-M520 WeakPolarHBondContact O-CG 3.4Å; H517-M520 HydrophobicContact CB-CB 4.32Å; H517-M520 HydrophobicContact CB-CG 4.19Å; H517-M520 PolarHBondContact O-N 2.75Å; M520-F522 VanDerWaalsContact C-N 3.33Å; M520-F522 PolarHBondContact O-N 3.45Å; M520-M523 PolarHBondContact O-N 2.81Å; M520-M523 HydrophobicContact SD-SD 4.27Å; M520-V524 WeakPolarHBondContact O-CB 3.18Å; M520-V524 WeakPolarHBondContact O-CG2 3.34Å; M520-V524 PolarHBondContact O-N 3.46Å |
| 521 | R | 94 | Very high | 94.2 | Very high | 40 Ų | 40 | 61.9 Ų | 61.9 | 15% | 0.151 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 174.4 | -64 | -175.9 | -157.7 | 177.4 | 7.3 | 112.1 | M516 H517 P518 V519 V524 V525 V877 | M516-R521 PolarHBondContact O-NE 3.01Å; M516-R521 PolarHBondContact O-NH2 3.15Å; H517-R521 WeakPolarHBondContact O-CG 3.32Å; H517-R521 PolarHBondContact O-N 3.38Å; P518-R521 PolarHBondContact O-N 2.94Å; V519-R521 VanDerWaalsContact C-N 3.35Å; V519-R521 PolarHBondContact O-N 3.49Å; R521-V524 PolarHBondContact O-N 2.71Å; R521-V525 WeakPolarHBondContact O-CG2 3.25Å; R521-V525 PolarHBondContact O-N 3.11Å; R521-V877 HydrophobicContact CB-CG1 3.94Å; R521-V877 HydrophobicContact CG-CG1 4.06Å; R521-V877 HydrophobicContact CG-CG2 4.4Å |
| 522 | F | 94.5 | Very high | 94.4 | Very high | 146 Ų | 146 | 61.7 Ų | 61.7 | 64% | 0.64 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -61.5 | -47.6 | 176.3 | 178.7 | -99.4 | 0 | 0 | 0 | 111.3 | P518 V519 M520 V524 V525 V526 | P518-F522 PolarHBondContact O-N 3.38Å; P518-F522 VanDerWaalsContact O-N 3.12Å; V519-F522 PolarHBondContact O-N 3.29Å; M520-F522 VanDerWaalsContact C-N 3.33Å; M520-F522 PolarHBondContact O-N 3.45Å; F522-V524 VanDerWaalsContact C-N 3.32Å; F522-V524 PolarHBondContact O-N 3.35Å; F522-V525 PolarHBondContact O-N 2.97Å; F522-V526 HydrophobicContact CD1-CG2 4.33Å; F522-V526 HydrophobicContact CE1-CG2 3.89Å; F522-V526 HydrophobicContact CE2-CG2 4.32Å; F522-V526 HydrophobicContact CZ-CG2 3.88Å; F522-V526 WeakPolarHBondContact O-CG2 3.48Å; F522-V526 PolarHBondContact O-N 3.47Å |
| 523 | M | 95.9 | Very high | 94.7 | Very high | 110 Ų | 110 | 64.4 Ų | 64.4 | 54% | 0.542 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.8 | -40.9 | 176.5 | -69.6 | -178.2 | 71.2 | 0 | 0 | 112.5 | V519 M520 V526 W527 | V519-M523 HydrophobicContact CG1-SD 4.35Å; V519-M523 WeakPolarHBondContact O-CG 3.38Å; V519-M523 PolarHBondContact O-N 2.94Å; M520-M523 PolarHBondContact O-N 2.81Å; M520-M523 HydrophobicContact SD-SD 4.27Å; M523-V526 PolarHBondContact O-N 3.24Å; M523-W527 WeakPolarHBondContact O-CB 3.45Å; M523-W527 PolarHBondContact O-N 2.97Å |
| 524 | V | 96.1 | Very high | 95 | Very high | 9 Ų | 9 | 66.4 Ų | 66.4 | 6% | 0.055 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65 | -40.1 | 177.6 | 169.9 | 0 | 0 | 0 | 0 | 111.6 | L515 M520 R521 F522 W527 F528 V873 F874 V877 | L515-V524 HydrophobicContact CD1-CG2 3.99Å; M520-V524 WeakPolarHBondContact O-CB 3.18Å; M520-V524 WeakPolarHBondContact O-CG2 3.34Å; M520-V524 PolarHBondContact O-N 3.46Å; R521-V524 PolarHBondContact O-N 2.71Å; F522-V524 VanDerWaalsContact C-N 3.32Å; F522-V524 PolarHBondContact O-N 3.35Å; V524-W527 PolarHBondContact O-N 3.46Å; V524-F528 WeakPolarHBondContact O-CB 3.3Å; V524-F528 PolarHBondContact O-N 2.72Å; V524-V873 HydrophobicContact CG1-CG1 3.83Å; V524-V873 HydrophobicContact CG2-CG1 3.85Å; V524-F874 HydrophobicContact CG1-CD1 3.66Å; V524-F874 HydrophobicContact CG1-CE1 4.14Å; V524-V877 HydrophobicContact CB-CG2 4.39Å; V524-V877 HydrophobicContact CG1-CB 4.14Å; V524-V877 HydrophobicContact CG1-CG1 4.28Å; V524-V877 HydrophobicContact CG1-CG2 4.01Å |
| 525 | V | 95 | Very high | 95.1 | Very high | 45 Ų | 45 | 63.7 Ų | 63.7 | 27% | 0.273 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.1 | -42 | 175.6 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | R521 F522 W527 F528 I529 V877 L881 | R521-V525 WeakPolarHBondContact O-CG2 3.25Å; R521-V525 PolarHBondContact O-N 3.11Å; F522-V525 PolarHBondContact O-N 2.97Å; V525-W527 VanDerWaalsContact C-N 3.34Å; V525-F528 PolarHBondContact O-N 3.01Å; V525-I529 HydrophobicContact CG1-CD1 4.08Å; V525-I529 WeakPolarHBondContact O-CG1 3.34Å; V525-I529 PolarHBondContact O-N 2.73Å; V525-V877 HydrophobicContact CG2-CG1 4.31Å; V525-L881 HydrophobicContact CG2-CD1 3.9Å |
| 526 | V | 96.6 | Very high | 95.2 | Very high | 60 Ų | 60 | 67.9 Ų | 67.9 | 36% | 0.364 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 174.4 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | F522 M523 F528 I529 L530 | F522-V526 HydrophobicContact CD1-CG2 4.33Å; F522-V526 HydrophobicContact CE1-CG2 3.89Å; F522-V526 HydrophobicContact CE2-CG2 4.32Å; F522-V526 HydrophobicContact CZ-CG2 3.88Å; F522-V526 WeakPolarHBondContact O-CG2 3.48Å; F522-V526 PolarHBondContact O-N 3.47Å; M523-V526 PolarHBondContact O-N 3.24Å; V526-F528 VanDerWaalsContact C-N 3.34Å; V526-F528 PolarHBondContact O-N 3Å; V526-I529 PolarHBondContact O-N 3.15Å; V526-L530 HydrophobicContact CG1-CD1 4.14Å; V526-L530 WeakPolarHBondContact O-CG 3.32Å; V526-L530 PolarHBondContact O-N 2.99Å |
| 527 | W | 97.2 | Very high | 95.3 | Very high | 120 Ų | 120 | 74.4 Ų | 74.4 | 46% | 0.455 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.7 | -43 | 176.2 | -179.8 | 22.6 | 0 | 0 | 0 | 112 | M523 V524 V525 I529 L530 Y531 L869 V873 F874 | M523-W527 WeakPolarHBondContact O-CB 3.45Å; M523-W527 PolarHBondContact O-N 2.97Å; V524-W527 PolarHBondContact O-N 3.46Å; V525-W527 VanDerWaalsContact C-N 3.34Å; W527-I529 PolarHBondContact O-N 3.46Å; W527-L530 PolarHBondContact O-N 2.76Å; W527-Y531 WeakPolarHBondContact O-CB 3.36Å; W527-Y531 PolarHBondContact O-N 2.97Å; W527-L869 HydrophobicContact CH2-CD1 3.33Å; W527-L869 HydrophobicContact CH2-CD2 4.14Å; W527-L869 HydrophobicContact CH2-CG 4.33Å; W527-L869 HydrophobicContact CZ2-CD1 4.01Å; W527-L869 HydrophobicContact CZ2-CD2 3.93Å; W527-L869 HydrophobicContact CZ3-CD1 3.87Å; W527-V873 HydrophobicContact CZ3-CG1 4.13Å; W527-F874 HydrophobicContact CB-CE1 4.45Å; W527-F874 AromaticContact CD2-CE1 3.83Å; W527-F874 HydrophobicContact CD2-CE1 3.83Å; W527-F874 AromaticContact CD2-CZ 3.78Å; W527-F874 HydrophobicContact CD2-CZ 3.78Å; W527-F874 AromaticContact CE2-CZ 3.97Å; W527-F874 AromaticContact CE3-CE1 3.71Å; W527-F874 HydrophobicContact CE3-CE1 3.71Å; W527-F874 AromaticContact CE3-CZ 3.96Å; W527-F874 HydrophobicContact CE3-CZ 3.96Å; W527-F874 HydrophobicContact CG-CE1 4.18Å; W527-F874 HydrophobicContact CG-CZ 4.22Å; W527-F874 HydrophobicContact CZ2-CZ 4.36Å; W527-F874 HydrophobicContact CZ3-CE1 4.31Å; W527-F874 HydrophobicContact CZ3-CZ 4.35Å |
| 528 | F | 96.4 | Very high | 95.4 | Very high | 18 Ų | 18 | 71 Ų | 71 | 8% | 0.079 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.8 | -43 | 176.5 | -176.3 | -109.1 | 0 | 0 | 0 | 112.5 | V524 V525 V526 Y531 L532 S766 H870 F874 L878 | V524-F528 WeakPolarHBondContact O-CB 3.3Å; V524-F528 PolarHBondContact O-N 2.72Å; V525-F528 PolarHBondContact O-N 3.01Å; V526-F528 VanDerWaalsContact C-N 3.34Å; V526-F528 PolarHBondContact O-N 3Å; F528-Y531 HydrophobicContact CD2-CD1 4.47Å; F528-Y531 PolarHBondContact O-N 3.4Å; F528-L532 HydrophobicContact CD1-CD1 3.94Å; F528-L532 HydrophobicContact CE1-CD1 3.46Å; F528-L532 VanDerWaalsContact CE1-CD1 3.46Å; F528-L532 HydrophobicContact CE1-CG 4.27Å; F528-L532 HydrophobicContact CZ-CD1 3.81Å; F528-L532 HydrophobicContact CZ-CD2 4.49Å; F528-L532 HydrophobicContact CZ-CG 4.24Å; F528-L532 WeakPolarHBondContact O-CG 3.21Å; F528-L532 PolarHBondContact O-N 3.02Å; F528-S766 WeakPolarHBondContact CE2-OG 3.3Å; F528-S766 WeakPolarHBondContact CZ-OG 3.47Å; F528-H870 AromaticContact CE2-NE2 3.83Å; F528-F874 HydrophobicContact CB-CD1 3.9Å; F528-F874 HydrophobicContact CB-CE1 3.93Å; F528-F874 HydrophobicContact CD2-CB 4.09Å; F528-F874 AromaticContact CD2-CD1 3.92Å; F528-F874 HydrophobicContact CD2-CD1 3.92Å; F528-F874 AromaticContact CD2-CD2 3.8Å; F528-F874 HydrophobicContact CD2-CD2 3.8Å; F528-F874 HydrophobicContact CD2-CE1 4.29Å; F528-F874 HydrophobicContact CD2-CE2 4.15Å; F528-F874 AromaticContact CD2-CG 3.69Å; F528-F874 HydrophobicContact CD2-CG 3.69Å; F528-F874 HydrophobicContact CD2-CZ 4.4Å; F528-F874 HydrophobicContact CE2-CB 4.45Å; F528-F874 HydrophobicContact CE2-CD2 4.32Å; F528-F874 HydrophobicContact CE2-CG 4.38Å; F528-F874 HydrophobicContact CG-CD1 4.32Å; F528-F874 HydrophobicContact CG-CG 4.48Å; F528-L878 HydrophobicContact CE1-CD1 4.49Å; F528-L878 HydrophobicContact CZ-CD1 4.42Å |
| 529 | I | 95.8 | Very high | 95.4 | Very high | 101 Ų | 101 | 68.1 Ų | 68.1 | 52% | 0.518 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 176.7 | -66.8 | 166.6 | 0 | 0 | 0 | 111.1 | V525 V526 W527 L532 A533 | V525-I529 HydrophobicContact CG1-CD1 4.08Å; V525-I529 WeakPolarHBondContact O-CG1 3.34Å; V525-I529 PolarHBondContact O-N 2.73Å; V526-I529 PolarHBondContact O-N 3.15Å; W527-I529 PolarHBondContact O-N 3.46Å; I529-L532 PolarHBondContact O-N 2.76Å; I529-A533 WeakPolarHBondContact O-CB 3.43Å; I529-A533 PolarHBondContact O-N 3.44Å |
| 530 | L | 96.7 | Very high | 95.2 | Very high | 103 Ų | 103 | 68.8 Ų | 68.8 | 54% | 0.539 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 176.4 | -72.1 | 171.9 | 0 | 0 | 0 | 111.8 | V526 W527 L532 A533 L534 | V526-L530 HydrophobicContact CG1-CD1 4.14Å; V526-L530 WeakPolarHBondContact O-CG 3.32Å; V526-L530 PolarHBondContact O-N 2.99Å; W527-L530 PolarHBondContact O-N 2.76Å; L530-L532 PolarHBondContact O-N 3.26Å; L530-A533 PolarHBondContact O-N 3.32Å; L530-L534 WeakPolarHBondContact O-CG 3.49Å; L530-L534 PolarHBondContact O-N 3.03Å |
| 531 | Y | 96.9 | Very high | 94.9 | Very high | 22 Ų | 22 | 69.6 Ų | 69.6 | 9% | 0.086 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58 | -46.7 | 174.7 | 160.8 | -94.2 | 0 | 0 | 0 | 111.7 | W527 F528 L534 S535 S766 G770 L866 H870 | W527-Y531 WeakPolarHBondContact O-CB 3.36Å; W527-Y531 PolarHBondContact O-N 2.97Å; F528-Y531 HydrophobicContact CD2-CD1 4.47Å; F528-Y531 PolarHBondContact O-N 3.4Å; Y531-L534 PolarHBondContact O-N 3.22Å; Y531-S535 WeakPolarHBondContact O-CB 3.26Å; Y531-S535 PolarHBondContact O-N 2.85Å; Y531-S535 PolarHBondContact O-OG 2.92Å; Y531-S766 WeakPolarHBondContact CE1-O 3.39Å; Y531-S766 WeakPolarHBondContact CE1-OG 3.15Å; Y531-S766 PolarHBondContact OH-O 2.99Å; Y531-G770 VanDerWaalsContact OH-CA 3.29Å; Y531-G770 WeakPolarHBondContact OH-CA 3.27Å; Y531-L866 HydrophobicContact CE2-CD2 3.66Å; Y531-H870 AromaticContact CE1-CE1 3.65Å; Y531-H870 AromaticContact CE1-NE2 3.65Å; Y531-H870 AromaticContact CZ-CE1 3.58Å; Y531-H870 PolarHBondContact OH-CE1 3.27Å |
| 532 | L | 95.8 | Very high | 94.5 | Very high | 44 Ų | 44 | 69.9 Ų | 69.9 | 23% | 0.23 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 177.3 | -75.5 | 175.1 | 0 | 0 | 0 | 111.8 | F528 I529 L530 L534 S535 I536 S766 L769 | F528-L532 HydrophobicContact CD1-CD1 3.94Å; F528-L532 HydrophobicContact CE1-CD1 3.46Å; F528-L532 VanDerWaalsContact CE1-CD1 3.46Å; F528-L532 HydrophobicContact CE1-CG 4.27Å; F528-L532 HydrophobicContact CZ-CD1 3.81Å; F528-L532 HydrophobicContact CZ-CD2 4.49Å; F528-L532 HydrophobicContact CZ-CG 4.24Å; F528-L532 WeakPolarHBondContact O-CG 3.21Å; F528-L532 PolarHBondContact O-N 3.02Å; I529-L532 PolarHBondContact O-N 2.76Å; L530-L532 PolarHBondContact O-N 3.26Å; L532-L534 PolarHBondContact O-N 3.25Å; L532-S535 PolarHBondContact O-N 3.41Å; L532-I536 VanDerWaalsContact O-CG1 3.27Å; L532-I536 WeakPolarHBondContact O-CG1 3.47Å; L532-I536 PolarHBondContact O-N 2.89Å; L532-S766 WeakPolarHBondContact CD2-OG 3.31Å; L532-L769 HydrophobicContact CD2-CD2 4.09Å |
| 533 | A | 96.6 | Very high | 93.9 | Very high | 58 Ų | 58 | 71.2 Ų | 71.2 | 48% | 0.479 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | I529 L530 W537 | I529-A533 WeakPolarHBondContact O-CB 3.43Å; I529-A533 PolarHBondContact O-N 3.44Å; L530-A533 PolarHBondContact O-N 3.32Å; A533-W537 WeakPolarHBondContact O-CB 3.26Å; A533-W537 PolarHBondContact O-N 3.28Å |
| 534 | L | 95.8 | Very high | 93.2 | Very high | 92 Ų | 92 | 69.2 Ų | 69.2 | 48% | 0.482 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.7 | -43 | 175.8 | -72 | 172.1 | 0 | 0 | 0 | 111.7 | L530 Y531 L532 I536 W537 F538 | L530-L534 WeakPolarHBondContact O-CG 3.49Å; L530-L534 PolarHBondContact O-N 3.03Å; Y531-L534 PolarHBondContact O-N 3.22Å; L532-L534 PolarHBondContact O-N 3.25Å; L534-I536 PolarHBondContact O-N 3.22Å; L534-W537 PolarHBondContact O-N 2.75Å; L534-F538 HydrophobicContact CB-CD2 4.49Å; L534-F538 HydrophobicContact CB-CE2 4.2Å; L534-F538 WeakPolarHBondContact O-CD2 3.23Å; L534-F538 WeakPolarHBondContact O-CG 3.23Å; L534-F538 PolarHBondContact O-N 3.29Å |
| 535 | S | 95.5 | Very high | 91.9 | Very high | 3 Ų | 3 | 68.9 Ų | 68.9 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.7 | -46.4 | 178.9 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | Y531 L532 W537 F538 C539 G770 | Y531-S535 WeakPolarHBondContact O-CB 3.26Å; Y531-S535 PolarHBondContact O-N 2.85Å; Y531-S535 PolarHBondContact O-OG 2.92Å; L532-S535 PolarHBondContact O-N 3.41Å; S535-W537 VanDerWaalsContact C-N 3.34Å; S535-W537 PolarHBondContact O-N 3.1Å; S535-F538 PolarHBondContact O-N 3.4Å; S535-C539 PolarHBondContact O-N 3.49Å; S535-C539 PolarHBondContact O-SG 3Å; S535-G770 WeakPolarHBondContact OG-CA 3.24Å |
| 536 | I | 94.9 | Very high | 90.7 | Very high | 97 Ų | 97 | 66.8 Ų | 66.8 | 50% | 0.497 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 175.4 | -66.4 | 167.5 | 0 | 0 | 0 | 110.8 | L532 L534 F538 C539 T540 L769 | L532-I536 VanDerWaalsContact O-CG1 3.27Å; L532-I536 WeakPolarHBondContact O-CG1 3.47Å; L532-I536 PolarHBondContact O-N 2.89Å; L534-I536 PolarHBondContact O-N 3.22Å; I536-F538 PolarHBondContact O-N 2.84Å; I536-C539 PolarHBondContact O-N 3.45Å; I536-T540 PolarHBondContact O-N 3.4Å; I536-L769 HydrophobicContact CD1-CD2 4.4Å; I536-L769 HydrophobicContact CG1-CD1 4.39Å; I536-L769 HydrophobicContact CG1-CD2 3.73Å; I536-L769 HydrophobicContact CG1-CG 4.43Å |
| 537 | W | 95.4 | Very high | 89.7 | Confident | 145 Ų | 145 | 67.4 Ų | 67.4 | 55% | 0.549 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.8 | -46.1 | 179 | 177.8 | 60.5 | 0 | 0 | 0 | 111.6 | A533 L534 S535 C539 T540 | A533-W537 WeakPolarHBondContact O-CB 3.26Å; A533-W537 PolarHBondContact O-N 3.28Å; L534-W537 PolarHBondContact O-N 2.75Å; S535-W537 VanDerWaalsContact C-N 3.34Å; S535-W537 PolarHBondContact O-N 3.1Å; W537-C539 PolarHBondContact O-N 2.66Å; W537-T540 PolarHBondContact O-N 3.38Å; W537-T540 PolarHBondContact O-OG1 3.38Å |
| 538 | F | 94.6 | Very high | 88.6 | Confident | 28 Ų | 28 | 62 Ų | 62 | 12% | 0.123 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.4 | -37.1 | 177.6 | -67.4 | -54.9 | 0 | 0 | 0 | 113.3 | L534 S535 I536 T540 N541 G773 L774 E777 | L534-F538 HydrophobicContact CB-CD2 4.49Å; L534-F538 HydrophobicContact CB-CE2 4.2Å; L534-F538 WeakPolarHBondContact O-CD2 3.23Å; L534-F538 WeakPolarHBondContact O-CG 3.23Å; L534-F538 PolarHBondContact O-N 3.29Å; S535-F538 PolarHBondContact O-N 3.4Å; I536-F538 PolarHBondContact O-N 2.84Å; F538-T540 PolarHBondContact O-N 3.05Å; F538-T540 VanDerWaalsContact O-N 3.09Å; F538-N541 PolarHBondContact O-N 2.88Å; F538-G773 WeakPolarHBondContact CB-O 3.12Å; F538-L774 HydrophobicContact CD2-CD2 4.43Å; F538-L774 HydrophobicContact CE2-CD2 4.3Å; F538-E777 HydrophobicContact CD1-CB 4.06Å; F538-E777 HydrophobicContact CD1-CG 4.46Å; F538-E777 HydrophobicContact CE1-CB 4.08Å; F538-E777 HydrophobicContact CE1-CG 3.99Å; F538-E777 WeakPolarHBondContact CE1-OE2 3.26Å; F538-E777 HydrophobicContact CG-CB 4.45Å; F538-E777 HydrophobicContact CZ-CG 4.28Å |
| 539 | C | 90.9 | Very high | 87.9 | Confident | 33 Ų | 33 | 62.5 Ų | 62.5 | 22% | 0.223 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.2 | -24 | 175.9 | -69.8 | 0 | 0 | 0 | 0 | 113.5 | S535 I536 W537 N541 L542 G773 | S535-C539 PolarHBondContact O-N 3.49Å; S535-C539 PolarHBondContact O-SG 3Å; I536-C539 PolarHBondContact O-N 3.45Å; W537-C539 PolarHBondContact O-N 2.66Å; C539-N541 PolarHBondContact O-N 2.75Å; C539-L542 PolarHBondContact O-N 2.87Å; C539-G773 PolarHBondContact SG-N 2.75Å |
| 540 | T | 90 | Very high | 87.3 | Confident | 101 Ų | 101 | 59 Ų | 59 | 62% | 0.62 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -16.3 | 176.8 | 66.9 | 0 | 0 | 0 | 0 | 114 | I536 W537 F538 | I536-T540 PolarHBondContact O-N 3.4Å; W537-T540 PolarHBondContact O-N 3.38Å; W537-T540 PolarHBondContact O-OG1 3.38Å; F538-T540 PolarHBondContact O-N 3.05Å; F538-T540 VanDerWaalsContact O-N 3.09Å |
| 541 | N | 88 | Confident | 86.5 | Confident | 87 Ų | 87 | 54.1 Ų | 54.1 | 47% | 0.465 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 13.8 | -178.5 | -66.7 | -40.3 | 0 | 0 | 0 | 113.1 | F538 C539 R543 T776 | F538-N541 PolarHBondContact O-N 2.88Å; C539-N541 PolarHBondContact O-N 2.75Å; N541-R543 PolarHBondContact O-N 2.73Å; N541-T776 HydrophobicContact CB-CG2 3.85Å; N541-T776 WeakPolarHBondContact O-CG2 3.4Å |
| 542 | L | 85.4 | Confident | 85.9 | Confident | 46 Ų | 46 | 53.2 Ų | 53.2 | 24% | 0.241 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -58 | 130.1 | -174.8 | -172.3 | 67.7 | 0 | 0 | 0 | 111.1 | C539 V772 M775 T776 L782 | C539-L542 PolarHBondContact O-N 2.87Å; L542-V772 HydrophobicContact CD1-CG1 4.33Å; L542-V772 HydrophobicContact CD2-CG1 4.48Å; L542-M775 HydrophobicContact CD1-CE 3.89Å; L542-T776 VanDerWaalsContact CD1-OG1 3.23Å; L542-T776 WeakPolarHBondContact CD1-OG1 3.26Å; L542-L782 HydrophobicContact CD1-CB 4.22Å; L542-L782 HydrophobicContact CD2-CB 4.26Å; L542-L782 HydrophobicContact CD2-CD2 4.06Å; L542-L782 HydrophobicContact CG-CB 4.26Å |
| 543 | R | 82.1 | Confident | 85.3 | Confident | 173 Ų | 173 | 51.3 Ų | 51.3 | 65% | 0.653 | 26% | 0.259 | S | S | * | . | P | Polyproline II helix | trans | -100.4 | 135.3 | 176.1 | -64 | -178.3 | -177.6 | -173.1 | 1.1 | 109.7 | N541 N781 L782 | N541-R543 PolarHBondContact O-N 2.73Å; R543-N781 VanDerWaalsContact CB-OD1 3.29Å; R543-N781 WeakPolarHBondContact CB-OD1 3.41Å; R543-N781 CarbonylContact O-C 3.46Å; R543-N781 WeakPolarHBondContact O-CA 3.43Å; R543-L782 PolarHBondContact O-N 3.46Å |
| 544 | E | 80.5 | Confident | 84.7 | Confident | 69 Ų | 69 | 52 Ų | 52 | 32% | 0.322 | 26% | 0.26 | S | S | . | . | B | Isolated β-bridge | trans | -103.6 | 145 | -176.3 | -66.3 | 171.5 | -153.6 | 0 | 0 | 112.6 | S690 | E544-S690 WeakPolarHBondContact O-CB 3.04Å; E544-S690 PolarHBondContact O-OG 3.02Å |
| 545 | G | 69.9 | Low | 84.2 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | trans | 103.9 | 144.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L782 | G545-L782 PolarHBondContact N-O 3.46Š| ||
| 546 | L | 69.5 | Low | 83.9 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | trans | -89.7 | 99.6 | 169.4 | -167.8 | 59.8 | 0 | 0 | 0 | 109.5 | Y60 N550 L551 Y725 D783 Y851 | Y60-L546 HydrophobicContact CD1-CD2 3.99Å; Y60-L546 HydrophobicContact CE1-CD2 4.43Å; L546-N550 HydrophobicContact CD1-CB 3.74Å; L546-L551 HydrophobicContact CD1-CD2 4.48Å; L546-L551 HydrophobicContact CD1-CG 4.45Å; L546-L551 HydrophobicContact CD2-CD1 4.05Å; L546-L551 HydrophobicContact CD2-CD2 3.6Å; L546-L551 HydrophobicContact CD2-CG 3.77Å; L546-L551 HydrophobicContact CG-CD2 4.36Å; L546-L551 HydrophobicContact CG-CG 4.13Å; L546-Y725 VanDerWaalsContact N-CE1 3.27Å; L546-Y725 VanDerWaalsContact O-CE1 3.25Å; L546-Y725 WeakPolarHBondContact O-CE1 3.41Å; L546-Y725 PolarHBondContact O-OH 3.38Å; L546-D783 HydrophobicContact CB-CB 3.71Å; L546-D783 HydrophobicContact CD1-CB 3.82Å; L546-D783 HydrophobicContact CG-CB 4.27Å; L546-Y851 HydrophobicContact CD1-CE1 4.42Å | ||
| 547 | E | 76.3 | Confident | 83.7 | Confident | 73 Ų | 73 | 49.9 Ų | 49.9 | 34% | 0.341 | 25% | 0.248 | S | C | . | . | trans | -64.1 | 140 | 168.3 | -65.9 | -179 | -177.4 | 0 | 0 | 108.8 | V549 N550 | E547-V549 PolarHBondContact O-N 3.11Å; E547-N550 VanDerWaalsContact O-CB 3.32Å; E547-N550 WeakPolarHBondContact O-CB 3.19Å; E547-N550 PolarHBondContact O-N 3.33Å | ||
| 548 | P | 73.9 | Confident | 83.5 | Confident | 7 Ų | 7 | 43 Ų | 43 | 5% | 0.045 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -52.6 | -29.7 | 177.9 | -28.9 | 35.4 | 0 | 0 | 0 | 113.3 | N550 L551 Y562 L718 F721 | P548-N550 PolarHBondContact O-N 2.91Å; P548-L551 PolarHBondContact O-N 3.33Å; P548-Y562 HydrophobicContact CB-CD1 4.47Å; P548-Y562 HydrophobicContact CB-CE1 3.85Å; P548-L718 HydrophobicContact CG-CD2 4.35Å; P548-F721 HydrophobicContact CG-CD2 4.39Å; P548-F721 HydrophobicContact CG-CG 4.47Å |
| 549 | V | 81 | Confident | 83.4 | Confident | 27 Ų | 27 | 42.3 Ų | 42.3 | 16% | 0.164 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -59.9 | -31.7 | 175.7 | -173.5 | 0 | 0 | 0 | 0 | 112.9 | E547 L551 L552 I559 Y562 | E547-V549 PolarHBondContact O-N 3.11Å; V549-L551 VanDerWaalsContact C-N 3.28Å; V549-L551 PolarHBondContact O-N 3.48Å; V549-L552 WeakPolarHBondContact O-CB 3.42Å; V549-L552 PolarHBondContact O-N 2.86Å; V549-I559 HydrophobicContact CG1-CG1 4.15Å; V549-I559 HydrophobicContact CG1-CG2 4.24Å; V549-Y562 HydrophobicContact CG2-CD1 4.36Å; V549-Y562 HydrophobicContact CG2-CD2 4.15Å; V549-Y562 HydrophobicContact CG2-CG 3.72Å |
| 550 | N | 82.7 | Confident | 83.5 | Confident | 27 Ų | 27 | 43.7 Ų | 43.7 | 14% | 0.144 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -77.1 | -15.1 | -176.7 | -69.3 | -11.7 | 0 | 0 | 0 | 113 | L546 E547 P548 L552 Y851 | L546-N550 HydrophobicContact CD1-CB 3.74Å; E547-N550 VanDerWaalsContact O-CB 3.32Å; E547-N550 WeakPolarHBondContact O-CB 3.19Å; E547-N550 PolarHBondContact O-N 3.33Å; P548-N550 PolarHBondContact O-N 2.91Å; N550-L552 VanDerWaalsContact C-N 3.33Å; N550-Y851 HydrophobicContact CB-CD1 3.58Å; N550-Y851 HydrophobicContact CB-CE1 3.81Å; N550-Y851 HydrophobicContact CB-CG 4.07Å; N550-Y851 VanDerWaalsContact O-CD1 3.32Å; N550-Y851 WeakPolarHBondContact O-CD1 3.32Å |
| 551 | L | 80.5 | Confident | 83.7 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -79.9 | -19.1 | 172.6 | -72.3 | 172.9 | 0 | 0 | 0 | 112.4 | Y60 L255 L259 N262 L546 P548 V549 | Y60-L551 HydrophobicContact CD1-CD2 4.27Å; Y60-L551 HydrophobicContact CD2-CD1 4.21Å; Y60-L551 HydrophobicContact CD2-CD2 4.38Å; Y60-L551 HydrophobicContact CE1-CD2 3.83Å; Y60-L551 HydrophobicContact CE2-CD1 4.44Å; Y60-L551 HydrophobicContact CE2-CD2 3.97Å; Y60-L551 HydrophobicContact CG-CD1 4.47Å; L255-L551 HydrophobicContact CD1-CB 3.64Å; L255-L551 HydrophobicContact CD1-CD1 4.01Å; L255-L551 HydrophobicContact CD1-CG 4.49Å; L255-L551 HydrophobicContact CD2-CD1 4.14Å; L255-L551 HydrophobicContact CG-CD1 4.49Å; L259-L551 HydrophobicContact CD2-CD2 4.5Å; N262-L551 PolarHBondContact ND2-O 3.07Å; L546-L551 HydrophobicContact CD1-CD2 4.48Å; L546-L551 HydrophobicContact CD1-CG 4.45Å; L546-L551 HydrophobicContact CD2-CD1 4.05Å; L546-L551 HydrophobicContact CD2-CD2 3.6Å; L546-L551 HydrophobicContact CD2-CG 3.77Å; L546-L551 HydrophobicContact CG-CD2 4.36Å; L546-L551 HydrophobicContact CG-CG 4.13Å; P548-L551 PolarHBondContact O-N 3.33Å; V549-L551 VanDerWaalsContact C-N 3.28Å; V549-L551 PolarHBondContact O-N 3.48Å |
| 552 | L | 83.7 | Confident | 83.9 | Confident | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -79.6 | 150.8 | -177.2 | -53.3 | 172.8 | 0 | 0 | 0 | 111.6 | L255 E258 V549 N550 A558 I559 Y562 | L255-L552 HydrophobicContact CD1-CD2 3.91Å; E258-L552 HydrophobicContact CB-CD2 3.88Å; E258-L552 HydrophobicContact CG-CD2 3.87Å; V549-L552 WeakPolarHBondContact O-CB 3.42Å; V549-L552 PolarHBondContact O-N 2.86Å; N550-L552 VanDerWaalsContact C-N 3.33Å; L552-A558 HydrophobicContact CD1-CB 3.87Å; L552-A558 HydrophobicContact CD2-CB 4.39Å; L552-I559 HydrophobicContact CB-CD1 4.45Å; L552-I559 HydrophobicContact CB-CG1 4.14Å; L552-I559 HydrophobicContact CD1-CG1 3.73Å; L552-Y562 HydrophobicContact CD1-CD2 3.7Å; L552-Y562 HydrophobicContact CD1-CE2 3.83Å |
| 553 | V | 84.7 | Confident | 84.2 | Confident | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.03 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | -66.9 | 145.3 | 165.4 | -169.1 | 0 | 0 | 0 | 0 | 108.6 | E258 R261 N262 D555 S556 I559 D849 | E258-V553 WeakPolarHBondContact OE2-CG2 3.42Å; R261-V553 HydrophobicContact CG-CG2 4.5Å; N262-V553 WeakPolarHBondContact OD1-CG2 3.09Å; V553-D555 VanDerWaalsContact C-N 3.26Å; V553-D555 WeakPolarHBondContact CG1-OD1 3.15Å; V553-D555 PolarHBondContact O-N 3.41Å; V553-S556 WeakPolarHBondContact O-CB 3.47Å; V553-S556 PolarHBondContact O-N 2.7Å; V553-I559 WeakPolarHBondContact O-CD1 3.49Å; V553-D849 WeakPolarHBondContact CG1-O 3.47Å |
| 554 | S | 82.7 | Confident | 84.7 | Confident | 72 Ų | 72 | 34.5 Ų | 34.5 | 50% | 0.503 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -20.9 | -171.1 | 65.3 | 0 | 0 | 0 | 0 | 115.6 | S556 I559 D849 | S554-S556 VanDerWaalsContact C-N 3.35Å; S554-I559 WeakPolarHBondContact O-CD1 3.46Å; S554-D849 VanDerWaalsContact CB-O 3.29Å; S554-D849 WeakPolarHBondContact CB-O 3.23Å; S554-D849 PolarHBondContact N-O 3.03Å; S554-D849 VanDerWaalsContact OG-CB 3.26Å; S554-D849 WeakPolarHBondContact OG-CB 3.41Å; S554-D849 PolarHBondContact OG-O 3.5Å |
| 555 | D | 85.5 | Confident | 85.3 | Confident | 104 Ų | 104 | 32 Ų | 32 | 56% | 0.556 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 5.3 | 172.3 | 72.9 | -26.7 | 0 | 0 | 0 | 112.9 | R261 V553 Y557 | R261-D555 IonicContact CZ-OD1 2.86Å; R261-D555 IonicContact CZ-OD2 2.73Å; R261-D555 VanDerWaalsContact NH1-CG 3.31Å; R261-D555 IonicContact NH1-OD1 3.83Å; R261-D555 PolarHBondContact NH1-OD1 3.18Å; R261-D555 IonicContact NH1-OD2 2.75Å; R261-D555 PolarHBondContact NH1-OD2 2.87Å; R261-D555 IonicContact NH2-OD1 3.57Å; R261-D555 PolarHBondContact NH2-OD1 3.43Å; V553-D555 VanDerWaalsContact C-N 3.26Å; V553-D555 WeakPolarHBondContact CG1-OD1 3.15Å; V553-D555 PolarHBondContact O-N 3.41Å; D555-Y557 PolarHBondContact O-N 3.26Å |
| 556 | S | 90 | Very high | 86.3 | Confident | 4 Ų | 4 | 32.5 Ų | 32.5 | 3% | 0.028 | 17% | 0.169 | C | C | . | . | trans | -60.6 | 134.3 | -177.4 | 178.4 | 0 | 0 | 0 | 0 | 111.8 | E258 V553 S554 A558 I559 | E258-S556 WeakPolarHBondContact OE1-CB 3.42Å; E258-S556 PolarHBondContact OE1-OG 3.44Å; V553-S556 WeakPolarHBondContact O-CB 3.47Å; V553-S556 PolarHBondContact O-N 2.7Å; S554-S556 VanDerWaalsContact C-N 3.35Å; S556-A558 PolarHBondContact O-N 3.2Å; S556-A558 VanDerWaalsContact O-N 3.14Å; S556-A558 PolarHBondContact OG-N 3.48Å; S556-I559 PolarHBondContact O-N 3.46Å | ||
| 557 | Y | 90.7 | Very high | 87.3 | Confident | 39 Ų | 39 | 38 Ų | 38 | 15% | 0.153 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -18.1 | 174.2 | 67.6 | -89.4 | 0 | 0 | 0 | 113.2 | Q234 L238 V249 H251 T254 D555 P560 | Q234-Y557 VanDerWaalsContact CD-CZ 3.43Å; Q234-Y557 HydrophobicContact CG-CD2 4.36Å; Q234-Y557 HydrophobicContact CG-CE1 4.27Å; Q234-Y557 HydrophobicContact CG-CE2 3.95Å; Q234-Y557 PolarHBondContact OE1-OH 3.35Å; L238-Y557 HydrophobicContact CD1-CG 4.25Å; L238-Y557 HydrophobicContact CD2-CG 4.44Å; V249-Y557 HydrophobicContact CB-CD2 4.39Å; H251-Y557 PolarHBondContact CD2-OH 3.06Å; H251-Y557 PolarHBondContact NE2-OH 3.5Å; T254-Y557 WeakPolarHBondContact CB-OH 3.43Å; T254-Y557 HydrophobicContact CG2-CE1 4.5Å; T254-Y557 HydrophobicContact CG2-CE2 4.01Å; T254-Y557 VanDerWaalsContact CG2-OH 3.25Å; T254-Y557 WeakPolarHBondContact CG2-OH 3.23Å; T254-Y557 PolarHBondContact OG1-OH 2.96Å; D555-Y557 PolarHBondContact O-N 3.26Å; Y557-P560 WeakPolarHBondContact O-CD 3.29Å |
| 558 | A | 91.5 | Very high | 88 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -83.9 | -20.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L250 T254 L552 S556 H561 Y562 | L250-A558 HydrophobicContact CD1-CB 4.2Å; T254-A558 HydrophobicContact CG2-CB 3.42Å; T254-A558 VanDerWaalsContact CG2-CB 3.42Å; L552-A558 HydrophobicContact CD1-CB 3.87Å; L552-A558 HydrophobicContact CD2-CB 4.39Å; S556-A558 PolarHBondContact O-N 3.2Å; S556-A558 VanDerWaalsContact O-N 3.14Å; S556-A558 PolarHBondContact OG-N 3.48Å; A558-H561 WeakPolarHBondContact O-CB 3.34Å; A558-H561 PolarHBondContact O-N 2.66Å; A558-H561 VanDerWaalsContact O-N 3.09Å; A558-Y562 HydrophobicContact CB-CD2 4.44Å; A558-Y562 HydrophobicContact CB-CE2 4.4Å; A558-Y562 WeakPolarHBondContact O-CD2 3.29Å; A558-Y562 PolarHBondContact O-N 2.93Å |
| 559 | I | 92.5 | Very high | 88.9 | Confident | 14 Ų | 14 | 35.6 Ų | 35.6 | 7% | 0.072 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.4 | -49.4 | 179.1 | -69.1 | 168.4 | 0 | 0 | 0 | 111.7 | V549 L552 V553 S554 S556 H561 Y562 R563 | V549-I559 HydrophobicContact CG1-CG1 4.15Å; V549-I559 HydrophobicContact CG1-CG2 4.24Å; L552-I559 HydrophobicContact CB-CD1 4.45Å; L552-I559 HydrophobicContact CB-CG1 4.14Å; L552-I559 HydrophobicContact CD1-CG1 3.73Å; V553-I559 WeakPolarHBondContact O-CD1 3.49Å; S554-I559 WeakPolarHBondContact O-CD1 3.46Å; S556-I559 PolarHBondContact O-N 3.46Å; I559-H561 PolarHBondContact O-N 2.86Å; I559-Y562 PolarHBondContact O-N 3.31Å; I559-R563 VanDerWaalsContact CG2-CZ 3.48Å; I559-R563 WeakPolarHBondContact O-CG 3.18Å; I559-R563 PolarHBondContact O-N 2.99Å |
| 560 | P | 92.9 | Very high | 89.4 | Confident | 63 Ų | 63 | 35.6 Ų | 35.6 | 41% | 0.409 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -55.3 | -38.8 | 173.7 | -27.1 | 34.9 | 0 | 0 | 0 | 113.3 | T248 Y557 R563 A564 | T248-P560 HydrophobicContact CG2-CB 3.8Å; Y557-P560 WeakPolarHBondContact O-CD 3.29Å; P560-R563 PolarHBondContact O-N 3.09Å; P560-A564 WeakPolarHBondContact O-CB 3.27Å; P560-A564 PolarHBondContact O-N 3.01Å |
| 561 | H | 94.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.7 | -48.6 | 180 | -170.9 | 97.2 | 0 | 0 | 0 | 111.8 | T248 L250 A558 I559 R563 A564 L565 | T248-H561 PolarHBondContact O-ND1 3.3Å; T248-H561 PolarHBondContact OG1-ND1 2.72Å; L250-H561 HydrophobicContact CB-CB 4.41Å; L250-H561 VanDerWaalsContact CB-CD2 3.42Å; L250-H561 WeakPolarHBondContact CB-CD2 3.4Å; L250-H561 WeakPolarHBondContact CB-NE2 3.07Å; A558-H561 WeakPolarHBondContact O-CB 3.34Å; A558-H561 PolarHBondContact O-N 2.66Å; A558-H561 VanDerWaalsContact O-N 3.09Å; I559-H561 PolarHBondContact O-N 2.86Å; H561-R563 VanDerWaalsContact C-N 3.32Å; H561-R563 PolarHBondContact O-N 2.93Å; H561-A564 CarbonylContact O-C 3.51Å; H561-A564 WeakPolarHBondContact O-CA 3.2Å; H561-A564 WeakPolarHBondContact O-CB 3.18Å; H561-A564 PolarHBondContact O-N 3.45Å; H561-A564 VanDerWaalsContact O-N 3.09Å; H561-L565 PolarHBondContact O-N 2.89Å |
| 562 | Y | 91.8 | Very high | 89.9 | Confident | 31 Ų | 31 | 40.5 Ų | 40.5 | 12% | 0.122 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.2 | -36.4 | 176 | -79.6 | -70.7 | 0 | 0 | 0 | 113.2 | L250 P548 V549 L552 A558 I559 A564 L565 G566 | L250-Y562 HydrophobicContact CD1-CE2 3.93Å; P548-Y562 HydrophobicContact CB-CD1 4.47Å; P548-Y562 HydrophobicContact CB-CE1 3.85Å; V549-Y562 HydrophobicContact CG2-CD1 4.36Å; V549-Y562 HydrophobicContact CG2-CD2 4.15Å; V549-Y562 HydrophobicContact CG2-CG 3.72Å; L552-Y562 HydrophobicContact CD1-CD2 3.7Å; L552-Y562 HydrophobicContact CD1-CE2 3.83Å; A558-Y562 HydrophobicContact CB-CD2 4.44Å; A558-Y562 HydrophobicContact CB-CE2 4.4Å; A558-Y562 WeakPolarHBondContact O-CD2 3.29Å; A558-Y562 PolarHBondContact O-N 2.93Å; I559-Y562 PolarHBondContact O-N 3.31Å; Y562-A564 VanDerWaalsContact C-N 3.3Å; Y562-A564 PolarHBondContact O-N 3Å; Y562-L565 HydrophobicContact CD1-CD1 4.06Å; Y562-L565 HydrophobicContact CE1-CD1 4.49Å; Y562-L565 WeakPolarHBondContact O-CB 3.41Å; Y562-L565 PolarHBondContact O-N 2.87Å; Y562-G566 PolarHBondContact O-N 3.32Å |
| 563 | R | 92 | Very high | 90 | Very high | 173 Ų | 173 | 40.3 Ų | 40.3 | 65% | 0.653 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -64.3 | -37.8 | 173 | -71.3 | 178.4 | -175.8 | 165.6 | 4.9 | 111.5 | I559 P560 H561 K567 | I559-R563 VanDerWaalsContact CG2-CZ 3.48Å; I559-R563 WeakPolarHBondContact O-CG 3.18Å; I559-R563 PolarHBondContact O-N 2.99Å; P560-R563 PolarHBondContact O-N 3.09Å; H561-R563 VanDerWaalsContact C-N 3.32Å; H561-R563 PolarHBondContact O-N 2.93Å; R563-K567 VanDerWaalsContact O-CB 3.22Å; R563-K567 WeakPolarHBondContact O-CB 3.35Å; R563-K567 PolarHBondContact O-N 3.49Å |
| 564 | A | 92.7 | Very high | 90.2 | Very high | 10 Ų | 10 | 40.8 Ų | 40.8 | 8% | 0.083 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.6 | -41.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I100 P560 H561 Y562 K567 Y568 | I100-A564 HydrophobicContact CB-CB 4.46Å; I100-A564 HydrophobicContact CD1-CB 3.95Å; I100-A564 HydrophobicContact CG2-CB 4.11Å; P560-A564 WeakPolarHBondContact O-CB 3.27Å; P560-A564 PolarHBondContact O-N 3.01Å; H561-A564 CarbonylContact O-C 3.51Å; H561-A564 WeakPolarHBondContact O-CA 3.2Å; H561-A564 WeakPolarHBondContact O-CB 3.18Å; H561-A564 PolarHBondContact O-N 3.45Å; H561-A564 VanDerWaalsContact O-N 3.09Å; Y562-A564 VanDerWaalsContact C-N 3.3Å; Y562-A564 PolarHBondContact O-N 3Å; A564-K567 PolarHBondContact O-N 3.19Å; A564-Y568 HydrophobicContact CB-CD2 3.95Å; A564-Y568 HydrophobicContact CB-CE2 4.26Å; A564-Y568 WeakPolarHBondContact O-CB 3.38Å; A564-Y568 WeakPolarHBondContact O-CD2 3.4Å; A564-Y568 PolarHBondContact O-N 3.47Å |
| 565 | L | 92.2 | Very high | 90.6 | Very high | 15 Ų | 15 | 39.2 Ų | 39.2 | 8% | 0.079 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -56.4 | -51.6 | 172.6 | -76.1 | 172.6 | 0 | 0 | 0 | 111.6 | I100 M210 H561 Y562 F569 W570 | I100-L565 HydrophobicContact CD1-CD2 3.72Å; I100-L565 HydrophobicContact CD1-CG 3.75Å; M210-L565 HydrophobicContact CE-CD2 3.32Å; H561-L565 PolarHBondContact O-N 2.89Å; Y562-L565 HydrophobicContact CD1-CD1 4.06Å; Y562-L565 HydrophobicContact CE1-CD1 4.49Å; Y562-L565 WeakPolarHBondContact O-CB 3.41Å; Y562-L565 PolarHBondContact O-N 2.87Å; L565-F569 HydrophobicContact CD2-CD2 4.37Å; L565-F569 WeakPolarHBondContact O-CB 3.33Å; L565-F569 PolarHBondContact O-N 3.4Å; L565-W570 HydrophobicContact CB-CD2 4.49Å; L565-W570 HydrophobicContact CB-CZ2 4.06Å; L565-W570 HydrophobicContact CD1-CZ2 4.37Å; L565-W570 PolarHBondContact O-N 2.71Å |
| 566 | G | 90.4 | Very high | 90.9 | Very high | 13 Ų | 13 | 34.2 Ų | 34.2 | 13% | 0.134 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -61.5 | -46.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y562 T688 | Y562-G566 PolarHBondContact O-N 3.32Å; G566-T688 WeakPolarHBondContact O-CG2 3.33Å |
| 567 | K | 90.5 | Very high | 91.1 | Very high | 117 Ų | 117 | 34.5 Ų | 34.5 | 51% | 0.509 | 16% | 0.159 | S | C | . | . | I | π-helix | trans | -69.5 | -47.5 | -176.5 | -175.3 | 179.8 | 173.9 | -166 | 0 | 112.7 | R563 A564 Y572 | R563-K567 VanDerWaalsContact O-CB 3.22Å; R563-K567 WeakPolarHBondContact O-CB 3.35Å; R563-K567 PolarHBondContact O-N 3.49Å; A564-K567 PolarHBondContact O-N 3.19Å; K567-Y572 WeakPolarHBondContact O-CE2 3.32Å |
| 568 | Y | 91.9 | Very high | 91.3 | Very high | 24 Ų | 24 | 32.6 Ų | 32.6 | 9% | 0.094 | 15% | 0.151 | C | C | . | . | I | π-helix | trans | -101.6 | -25.9 | -166.2 | -60.9 | -65 | 0 | 0 | 0 | 114.5 | G193 G194 E207 A208 A564 Y572 | G193-Y568 CarbonylContact C-O 3.59Å; G193-Y568 WeakPolarHBondContact CA-O 3.32Å; G194-Y568 PolarHBondContact N-O 3.03Å; E207-Y568 HydrophobicContact CB-CD1 3.91Å; E207-Y568 HydrophobicContact CB-CE1 3.57Å; E207-Y568 WeakPolarHBondContact OE2-CE1 3.4Å; A208-Y568 HydrophobicContact CB-CD1 3.98Å; A208-Y568 HydrophobicContact CB-CD2 3.74Å; A208-Y568 HydrophobicContact CB-CE1 4.48Å; A208-Y568 HydrophobicContact CB-CE2 4.3Å; A208-Y568 HydrophobicContact CB-CG 3.57Å; A564-Y568 HydrophobicContact CB-CD2 3.95Å; A564-Y568 HydrophobicContact CB-CE2 4.26Å; A564-Y568 WeakPolarHBondContact O-CB 3.38Å; A564-Y568 WeakPolarHBondContact O-CD2 3.4Å; A564-Y568 PolarHBondContact O-N 3.47Å; Y568-Y572 WeakPolarHBondContact O-CD2 3.48Å |
| 569 | F | 92.4 | Very high | 91.4 | Very high | 5 Ų | 5 | 32.7 Ų | 32.7 | 2% | 0.022 | 15% | 0.152 | C | C | . | . | I | π-helix | trans | -114.4 | -53 | -172 | -65.2 | -86.2 | 0 | 0 | 0 | 112.9 | I100 A208 M210 L565 N571 Y572 G573 T574 | I100-F569 HydrophobicContact CD1-CD2 4.18Å; I100-F569 HydrophobicContact CD1-CE2 3.91Å; I100-F569 HydrophobicContact CG1-CE2 3.98Å; I100-F569 HydrophobicContact CG2-CE2 3.9Å; A208-F569 HydrophobicContact CB-CE2 4.28Å; A208-F569 HydrophobicContact CB-CZ 4.44Å; M210-F569 HydrophobicContact CB-CE1 3.83Å; M210-F569 HydrophobicContact CB-CE2 4.31Å; M210-F569 HydrophobicContact CB-CZ 3.55Å; M210-F569 HydrophobicContact CE-CD1 3.93Å; M210-F569 HydrophobicContact CE-CD2 3.78Å; M210-F569 HydrophobicContact CE-CE1 3.96Å; M210-F569 HydrophobicContact CE-CE2 3.83Å; M210-F569 HydrophobicContact CE-CG 3.84Å; M210-F569 HydrophobicContact CE-CZ 3.94Å; L565-F569 HydrophobicContact CD2-CD2 4.37Å; L565-F569 WeakPolarHBondContact O-CB 3.33Å; L565-F569 PolarHBondContact O-N 3.4Å; F569-N571 PolarHBondContact O-N 2.9Å; F569-N571 VanDerWaalsContact O-N 3.08Å; F569-Y572 PolarHBondContact O-N 2.93Å; F569-G573 PolarHBondContact O-N 3.21Å; F569-T574 PolarHBondContact O-OG1 3.38Å |
| 570 | W | 90.6 | Very high | 91.6 | Very high | 28 Ų | 28 | 32 Ų | 32 | 11% | 0.106 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -20.6 | -174.6 | -64.5 | -12 | 0 | 0 | 0 | 114.3 | L565 T574 F687 T688 L718 | L565-W570 HydrophobicContact CB-CD2 4.49Å; L565-W570 HydrophobicContact CB-CZ2 4.06Å; L565-W570 HydrophobicContact CD1-CZ2 4.37Å; L565-W570 PolarHBondContact O-N 2.71Å; W570-T574 WeakPolarHBondContact CA-OG1 3.37Å; W570-F687 HydrophobicContact CB-CB 4.48Å; W570-F687 HydrophobicContact CG-CD1 4.37Å; W570-F687 WeakPolarHBondContact O-CA 3.3Å; W570-F687 WeakPolarHBondContact O-CB 3.3Å; W570-F687 PolarHBondContact O-N 3.21Å; W570-T688 HydrophobicContact CB-CG2 3.85Å; W570-L718 HydrophobicContact CH2-CD1 4.27Å; W570-L718 HydrophobicContact CH2-CD2 4.35Å; W570-L718 HydrophobicContact CZ2-CD1 3.47Å; W570-L718 VanDerWaalsContact CZ2-CD1 3.47Å; W570-L718 HydrophobicContact CZ2-CD2 4.17Å; W570-L718 HydrophobicContact CZ2-CG 4.47Å |
| 571 | N | 88.6 | Confident | 91.6 | Very high | 55 Ų | 55 | 29.8 Ų | 29.8 | 29% | 0.294 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -24 | 173.3 | -82.1 | -33.5 | 0 | 0 | 0 | 114.3 | F569 R685 N686 T688 | F569-N571 PolarHBondContact O-N 2.9Å; F569-N571 VanDerWaalsContact O-N 3.08Å; N571-R685 WeakPolarHBondContact O-CB 3.38Å; N571-N686 PolarHBondContact O-N 3.22Å; N571-T688 HydrophobicContact CB-CG2 4.39Å; N571-T688 WeakPolarHBondContact ND2-CG2 3.11Å; N571-T688 WeakPolarHBondContact OD1-CG2 3.14Å |
| 572 | Y | 86.4 | Confident | 91.6 | Very high | 75 Ų | 75 | 34.5 Ų | 34.5 | 29% | 0.294 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -35.8 | -162.1 | -72.1 | -96.4 | 0 | 0 | 0 | 114.3 | Y176 G194 V195 K567 Y568 F569 M609 | Y176-Y572 PolarHBondContact OH-O 2.88Å; Y176-Y572 VanDerWaalsContact OH-O 3.1Å; G194-Y572 VanDerWaalsContact CA-CZ 3.49Å; V195-Y572 WeakPolarHBondContact O-CE1 3.49Å; K567-Y572 WeakPolarHBondContact O-CE2 3.32Å; Y568-Y572 WeakPolarHBondContact O-CD2 3.48Å; F569-Y572 PolarHBondContact O-N 2.93Å; Y572-M609 VanDerWaalsContact O-CE 3.23Å; Y572-M609 WeakPolarHBondContact O-CE 3.31Å |
| 573 | G | 86.1 | Confident | 91.7 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | 165.3 | 54.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y187 G189 F569 M609 I684 | Y187-G573 PolarHBondContact OH-O 3.1Å; G189-G573 CarbonylContact C-O 3.12Å; G189-G573 WeakPolarHBondContact CA-O 3.41Å; F569-G573 PolarHBondContact O-N 3.21Å; G573-M609 WeakPolarHBondContact CA-SD 3.46Å; G573-I684 CarbonylContact C-O 3.59Å; G573-I684 WeakPolarHBondContact CA-O 3.27Å | ||
| 574 | T | 89 | Confident | 91.7 | Very high | 15 Ų | 15 | 26.3 Ų | 26.3 | 9% | 0.092 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 139.4 | 172.9 | -58 | 0 | 0 | 0 | 0 | 110.4 | F569 W570 G683 I684 H716 | F569-T574 PolarHBondContact O-OG1 3.38Å; W570-T574 WeakPolarHBondContact CA-OG1 3.37Å; T574-G683 CarbonylContact O-C 3.53Å; T574-G683 WeakPolarHBondContact O-CA 3.47Å; T574-I684 PolarHBondContact N-O 3.39Å; T574-I684 VanDerWaalsContact O-CG1 3.31Å; T574-I684 WeakPolarHBondContact O-CG1 3.48Å; T574-I684 PolarHBondContact O-N 3.14Å; T574-H716 WeakPolarHBondContact CG2-NE2 3.22Å |
| 575 | E | 90.3 | Very high | 91.6 | Very high | 38 Ų | 38 | 28 Ų | 28 | 18% | 0.178 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 134.2 | -176.6 | 64.3 | -163.9 | 148.4 | 0 | 0 | 112.3 | G88 Y187 S190 M682 H716 | G88-E575 WeakPolarHBondContact CA-OE1 3.41Å; Y187-E575 HydrophobicContact CD1-CB 4.34Å; Y187-E575 HydrophobicContact CE1-CB 3.85Å; S190-E575 WeakPolarHBondContact CB-OE1 3.5Å; S190-E575 PolarHBondContact OG-OE1 3.12Å; E575-M682 CarbonylContact C-O 3.48Å; E575-M682 WeakPolarHBondContact CA-O 3.32Å; E575-H716 PolarHBondContact O-CD2 3.5Å; E575-H716 VanDerWaalsContact O-CD2 3.28Å |
| 576 | V | 92.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 135.8 | 172.9 | 176.3 | 0 | 0 | 0 | 0 | 108.8 | Y681 M682 I684 L700 H716 | V576-Y681 WeakPolarHBondContact O-CA 3.36Å; V576-M682 HydrophobicContact CB-CE 4.2Å; V576-M682 HydrophobicContact CB-CG 4.31Å; V576-M682 HydrophobicContact CG1-CE 4Å; V576-M682 PolarHBondContact N-O 3.48Å; V576-M682 PolarHBondContact O-N 2.89Å; V576-I684 HydrophobicContact CB-CG2 4.37Å; V576-I684 HydrophobicContact CG2-CB 4.33Å; V576-I684 HydrophobicContact CG2-CD1 3.55Å; V576-I684 HydrophobicContact CG2-CG1 3.74Å; V576-I684 HydrophobicContact CG2-CG2 3.66Å; V576-L700 HydrophobicContact CG1-CD1 4.18Å; V576-L700 HydrophobicContact CG2-CD1 4.48Å; V576-H716 HydrophobicContact CG2-CB 4.27Å |
| 577 | Q | 93.2 | Very high | 91.5 | Very high | 9 Ų | 9 | 27.6 Ų | 27.6 | 4% | 0.042 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 131.2 | 175 | -171.6 | 179.8 | -7.6 | 0 | 0 | 110.1 | V579 R679 Y681 T714 F715 | Q577-V579 HydrophobicContact CG-CG2 4.01Å; Q577-R679 HydrophobicContact CG-CB 4.42Å; Q577-Y681 HydrophobicContact CB-CD1 4.09Å; Q577-Y681 HydrophobicContact CB-CE1 3.74Å; Q577-Y681 HydrophobicContact CG-CD1 4.36Å; Q577-Y681 HydrophobicContact CG-CE1 3.76Å; Q577-T714 CarbonylContact O-C 3.37Å; Q577-T714 WeakPolarHBondContact O-CA 3.31Å; Q577-F715 PolarHBondContact N-O 3.28Å; Q577-F715 PolarHBondContact O-N 2.87Å |
| 578 | V | 95 | Very high | 91.4 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 125.1 | 171.5 | -172 | 0 | 0 | 0 | 0 | 108.5 | F602 R679 F680 M682 V712 T714 | V578-F602 HydrophobicContact CG1-CD2 4.23Å; V578-F602 HydrophobicContact CG1-CE1 4.28Å; V578-F602 HydrophobicContact CG1-CE2 3.89Å; V578-F602 HydrophobicContact CG1-CZ 3.9Å; V578-F602 HydrophobicContact CG2-CD1 4.4Å; V578-R679 CarbonylContact O-C 3.56Å; V578-R679 WeakPolarHBondContact O-CA 3.23Å; V578-R679 WeakPolarHBondContact O-CB 3.31Å; V578-F680 HydrophobicContact CB-CD1 4.1Å; V578-F680 HydrophobicContact CB-CD2 4.08Å; V578-F680 HydrophobicContact CB-CE1 3.69Å; V578-F680 HydrophobicContact CB-CE2 3.66Å; V578-F680 HydrophobicContact CB-CG 4.29Å; V578-F680 HydrophobicContact CB-CZ 3.46Å; V578-F680 VanDerWaalsContact CB-CZ 3.46Å; V578-F680 HydrophobicContact CG1-CD1 4.36Å; V578-F680 HydrophobicContact CG1-CE1 3.53Å; V578-F680 HydrophobicContact CG1-CE2 4.09Å; V578-F680 HydrophobicContact CG1-CZ 3.38Å; V578-F680 HydrophobicContact CG2-CD2 4.29Å; V578-F680 HydrophobicContact CG2-CE2 3.71Å; V578-F680 HydrophobicContact CG2-CZ 3.89Å; V578-F680 PolarHBondContact N-O 3.34Å; V578-F680 PolarHBondContact O-N 3.35Å; V578-M682 HydrophobicContact CG2-CE 3.39Å; V578-M682 HydrophobicContact CG2-CG 4.34Å; V578-M682 HydrophobicContact CG2-SD 4.26Å; V578-V712 HydrophobicContact CG1-CG1 3.58Å; V578-T714 HydrophobicContact CG1-CG2 4.17Å; V578-T714 HydrophobicContact CG2-CG2 4.18Å |
| 579 | V | 94.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 128.4 | -177.5 | 177.4 | 0 | 0 | 0 | 0 | 109.8 | I74 W78 Q577 N581 R679 V712 T713 | I74-V579 HydrophobicContact CD1-CG2 3.99Å; I74-V579 HydrophobicContact CG1-CG2 3.84Å; W78-V579 HydrophobicContact CH2-CG1 3.85Å; W78-V579 HydrophobicContact CZ3-CG1 3.61Å; W78-V579 HydrophobicContact CZ3-CG2 4.14Å; Q577-V579 HydrophobicContact CG-CG2 4.01Å; V579-N581 WeakPolarHBondContact CG1-OD1 3.45Å; V579-R679 HydrophobicContact CG2-CB 3.91Å; V579-V712 CarbonylContact O-C 3.59Å; V579-V712 VanDerWaalsContact O-CA 3.31Å; V579-V712 WeakPolarHBondContact O-CA 3.43Å; V579-T713 PolarHBondContact N-O 3.32Å; V579-T713 PolarHBondContact O-N 3.41Å |
| 580 | V | 96.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 100.7 | 178.7 | -172.4 | 0 | 0 | 0 | 0 | 107 | P583 M598 A677 Y678 F680 | V580-P583 HydrophobicContact CG1-CB 3.99Å; V580-M598 HydrophobicContact CB-CE 4.36Å; V580-M598 HydrophobicContact CG1-CE 4Å; V580-M598 HydrophobicContact CG2-CE 3.42Å; V580-M598 VanDerWaalsContact CG2-CE 3.42Å; V580-M598 HydrophobicContact CG2-SD 4.09Å; V580-A677 WeakPolarHBondContact O-CA 3.39Å; V580-A677 WeakPolarHBondContact O-CB 3.39Å; V580-Y678 HydrophobicContact CB-CD2 4.17Å; V580-Y678 HydrophobicContact CB-CE1 4.36Å; V580-Y678 HydrophobicContact CB-CE2 3.83Å; V580-Y678 HydrophobicContact CG1-CE1 4.41Å; V580-Y678 HydrophobicContact CG1-CE2 4.5Å; V580-Y678 HydrophobicContact CG2-CD2 4.05Å; V580-Y678 HydrophobicContact CG2-CE2 3.44Å; V580-Y678 VanDerWaalsContact CG2-CE2 3.44Å; V580-Y678 PolarHBondContact N-O 2.92Å; V580-Y678 PolarHBondContact O-N 3.42Å; V580-F680 HydrophobicContact CG2-CD1 4.4Å; V580-F680 HydrophobicContact CG2-CE1 4.01Å |
| 581 | N | 93.5 | Very high | 91.3 | Very high | 17 Ų | 17 | 33.4 Ų | 33.4 | 9% | 0.091 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -78.6 | -26.2 | -169.2 | -69.2 | -59 | 0 | 0 | 0 | 114.2 | V73 K77 V579 Y710 N711 T713 | V73-N581 WeakPolarHBondContact CG1-OD1 3.24Å; K77-N581 WeakPolarHBondContact CE-OD1 3.29Å; K77-N581 PolarHBondContact NZ-O 2.96Å; K77-N581 PolarHBondContact NZ-OD1 3.43Å; V579-N581 WeakPolarHBondContact CG1-OD1 3.45Å; N581-Y710 PolarHBondContact N-O 3.4Å; N581-N711 HydrophobicContact CB-CB 4.1Å; N581-N711 VanDerWaalsContact CB-O 3.27Å; N581-N711 WeakPolarHBondContact CB-O 3.39Å; N581-N711 PolarHBondContact N-O 2.96Å; N581-N711 PolarHBondContact ND2-O 3.05Å; N581-T713 PolarHBondContact ND2-OG1 3Å |
| 582 | N | 93.7 | Very high | 91.5 | Very high | 98 Ų | 98 | 31.6 Ų | 31.6 | 52% | 0.524 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -129.2 | 80.8 | 173.9 | 178 | 37 | 0 | 0 | 0 | 107.7 | Q709 Y710 | N582-Q709 PolarHBondContact ND2-O 2.85Å; N582-Q709 VanDerWaalsContact ND2-O 3.15Å; N582-Y710 PolarHBondContact N-O 2.8Å; N582-Y710 VanDerWaalsContact O-CA 3.23Å; N582-Y710 WeakPolarHBondContact O-CA 3.3Å; N582-Y710 WeakPolarHBondContact O-CB 3.21Å; N582-Y710 WeakPolarHBondContact O-CD1 3.3Å |
| 583 | P | 93.9 | Very high | 91.8 | Very high | 19 Ų | 19 | 33.2 Ų | 33.2 | 12% | 0.123 | 18% | 0.179 | C | C | . | . | trans | -72 | 149.3 | -169.3 | 27.5 | -32 | 0 | 0 | 0 | 112.7 | V580 I675 G676 Y678 | V580-P583 HydrophobicContact CG1-CB 3.99Å; P583-I675 HydrophobicContact CG-CG2 3.99Å; P583-I675 WeakPolarHBondContact CG-O 3.27Å; P583-G676 WeakPolarHBondContact CD-O 3.4Å; P583-Y678 HydrophobicContact CB-CD1 3.43Å; P583-Y678 VanDerWaalsContact CB-CD1 3.43Å; P583-Y678 HydrophobicContact CB-CE1 3.21Å; P583-Y678 HydrophobicContact CG-CD1 4.11Å; P583-Y678 HydrophobicContact CG-CE1 4.34Å | ||
| 584 | P | 93 | Very high | 92.2 | Very high | 13 Ų | 13 | 37.7 Ų | 37.7 | 8% | 0.084 | 20% | 0.199 | C | C | . | . | trans | -62.3 | 150.1 | 166 | 27.7 | -33 | 0 | 0 | 0 | 110.4 | V586 A595 Y710 | P584-V586 PolarHBondContact O-N 3.21Å; P584-A595 HydrophobicContact CG-CB 4.12Å; P584-Y710 HydrophobicContact CB-CE1 3.74Å; P584-Y710 HydrophobicContact CG-CE1 4.14Å; P584-Y710 HydrophobicContact CG-CE2 4.45Å | ||
| 585 | D | 90.4 | Very high | 92.5 | Very high | 46 Ų | 46 | 37 Ų | 37 | 25% | 0.246 | 20% | 0.195 | C | C | . | . | trans | -68.7 | 98 | 176.3 | -167.6 | -14.2 | 0 | 0 | 0 | 110.6 | S587 E588 G591 K638 | D585-S587 VanDerWaalsContact CG-OG 3.22Å; D585-S587 PolarHBondContact O-N 3.41Å; D585-S587 VanDerWaalsContact OD1-CB 3.29Å; D585-S587 WeakPolarHBondContact OD1-CB 3.43Å; D585-S587 PolarHBondContact OD1-N 3.38Å; D585-S587 PolarHBondContact OD1-OG 2.98Å; D585-S587 PolarHBondContact OD2-OG 3.47Å; D585-E588 PolarHBondContact O-N 3.27Å; D585-G591 WeakPolarHBondContact O-CA 3.39Å; D585-K638 IonicContact OD2-NZ 3.15Å; D585-K638 PolarHBondContact OD2-NZ 3.4Å | ||
| 586 | V | 91.7 | Very high | 92.7 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -5 | -179.1 | -66.3 | 0 | 0 | 0 | 0 | 113.6 | P584 R592 A595 W617 L618 F641 I675 | P584-V586 PolarHBondContact O-N 3.21Å; V586-R592 HydrophobicContact CB-CG 4.17Å; V586-R592 WeakPolarHBondContact O-CD 3.28Å; V586-R592 WeakPolarHBondContact O-CG 3.34Å; V586-R592 PolarHBondContact O-NH1 3.1Å; V586-A595 HydrophobicContact CG1-CB 4.05Å; V586-W617 HydrophobicContact CG2-CH2 3.77Å; V586-W617 HydrophobicContact CG2-CZ2 4.23Å; V586-L618 HydrophobicContact CB-CD2 4.36Å; V586-L618 HydrophobicContact CG1-CD2 4.1Å; V586-F641 HydrophobicContact CG2-CE1 4.28Å; V586-F641 HydrophobicContact CG2-CZ 3.95Å; V586-I675 HydrophobicContact CG2-CD1 3.77Å |
| 587 | S | 88.1 | Confident | 92.8 | Very high | 16 Ų | 16 | 41.8 Ų | 41.8 | 11% | 0.112 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -29.7 | 166.6 | 71.8 | 0 | 0 | 0 | 0 | 111 | D585 R592 | D585-S587 VanDerWaalsContact CG-OG 3.22Å; D585-S587 PolarHBondContact O-N 3.41Å; D585-S587 VanDerWaalsContact OD1-CB 3.29Å; D585-S587 WeakPolarHBondContact OD1-CB 3.43Å; D585-S587 PolarHBondContact OD1-N 3.38Å; D585-S587 PolarHBondContact OD1-OG 2.98Å; D585-S587 PolarHBondContact OD2-OG 3.47Å; S587-R592 PolarHBondContact O-NH1 3.38Å |
| 588 | E | 89.3 | Confident | 92.9 | Very high | 114 Ų | 114 | 41.3 Ų | 41.3 | 53% | 0.533 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -89.4 | 145.6 | 175.9 | -60.5 | -175 | 174.8 | 0 | 0 | 112.1 | D585 A590 G591 R592 | D585-E588 PolarHBondContact O-N 3.27Å; E588-A590 VanDerWaalsContact C-N 3.31Å; E588-A590 PolarHBondContact O-N 2.91Å; E588-G591 PolarHBondContact O-N 2.99Å; E588-G591 VanDerWaalsContact O-N 3.17Å; E588-R592 PolarHBondContact O-N 2.95Å |
| 589 | E | 88.6 | Confident | 93 | Very high | 120 Ų | 120 | 41.3 Ų | 41.3 | 56% | 0.561 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -59.8 | -40.7 | 178 | -174.2 | 176.4 | 177.1 | 0 | 0 | 112.4 | G591 R592 L593 | E589-G591 VanDerWaalsContact C-N 3.3Å; E589-G591 PolarHBondContact O-N 3.21Å; E589-R592 PolarHBondContact O-N 3.26Å; E589-L593 HydrophobicContact CG-CD1 4.3Å; E589-L593 WeakPolarHBondContact O-CG 3.28Å; E589-L593 PolarHBondContact O-N 2.85Å |
| 590 | A | 91 | Very high | 93.1 | Very high | 56 Ų | 56 | 47.3 Ų | 47.3 | 46% | 0.463 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.2 | -37.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | E588 K594 | E588-A590 VanDerWaalsContact C-N 3.31Å; E588-A590 PolarHBondContact O-N 2.91Å; A590-K594 WeakPolarHBondContact O-CG 3.43Å; A590-K594 PolarHBondContact O-N 3.39Å |
| 591 | G | 91.4 | Very high | 93.1 | Very high | 6 Ų | 6 | 48.3 Ų | 48.3 | 6% | 0.062 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -71.5 | -39 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D585 E588 E589 K594 A595 | D585-G591 WeakPolarHBondContact O-CA 3.39Å; E588-G591 PolarHBondContact O-N 2.99Å; E588-G591 VanDerWaalsContact O-N 3.17Å; E589-G591 VanDerWaalsContact C-N 3.3Å; E589-G591 PolarHBondContact O-N 3.21Å; G591-K594 PolarHBondContact O-N 2.91Å; G591-A595 WeakPolarHBondContact O-CB 3.31Å; G591-A595 PolarHBondContact O-N 3.22Å |
| 592 | R | 93 | Very high | 93.2 | Very high | 18 Ų | 18 | 47.5 Ų | 47.5 | 7% | 0.068 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.7 | -43 | 173.6 | -68.2 | -167.1 | -67.6 | -98.4 | 6 | 112.9 | V586 S587 E588 E589 K594 A595 T596 L618 L633 | V586-R592 HydrophobicContact CB-CG 4.17Å; V586-R592 WeakPolarHBondContact O-CD 3.28Å; V586-R592 WeakPolarHBondContact O-CG 3.34Å; V586-R592 PolarHBondContact O-NH1 3.1Å; S587-R592 PolarHBondContact O-NH1 3.38Å; E588-R592 PolarHBondContact O-N 2.95Å; E589-R592 PolarHBondContact O-N 3.26Å; R592-K594 VanDerWaalsContact C-N 3.35Å; R592-K594 PolarHBondContact O-N 3.21Å; R592-A595 PolarHBondContact O-N 2.73Å; R592-T596 WeakPolarHBondContact O-CB 3.24Å; R592-T596 PolarHBondContact O-N 2.92Å; R592-T596 PolarHBondContact O-OG1 3.35Å; R592-L618 HydrophobicContact CG-CD2 4.42Å; R592-L633 VanDerWaalsContact CZ-CB 3.5Å; R592-L633 PolarHBondContact NH1-O 2.87Å; R592-L633 VanDerWaalsContact NH2-C 3.31Å; R592-L633 PolarHBondContact NH2-O 3.35Å; R592-L633 VanDerWaalsContact NH2-O 3.14Å |
| 593 | L | 94.1 | Very high | 93.3 | Very high | 108 Ų | 108 | 42.9 Ų | 42.9 | 57% | 0.565 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -61.1 | -45 | 177.7 | -73.2 | 172.4 | 0 | 0 | 0 | 111.2 | E589 T596 E597 | E589-L593 HydrophobicContact CG-CD1 4.3Å; E589-L593 WeakPolarHBondContact O-CG 3.28Å; E589-L593 PolarHBondContact O-N 2.85Å; L593-T596 PolarHBondContact O-N 3.11Å; L593-E597 WeakPolarHBondContact O-CB 3.3Å; L593-E597 PolarHBondContact O-N 3.12Å |
| 594 | K | 94 | Very high | 93.3 | Very high | 95 Ų | 95 | 46.2 Ų | 46.2 | 41% | 0.413 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.1 | -40.1 | 177 | -68.8 | -177.1 | -171 | 177.8 | 0 | 112.7 | A590 G591 R592 T596 E597 M598 Y710 | A590-K594 WeakPolarHBondContact O-CG 3.43Å; A590-K594 PolarHBondContact O-N 3.39Å; G591-K594 PolarHBondContact O-N 2.91Å; R592-K594 VanDerWaalsContact C-N 3.35Å; R592-K594 PolarHBondContact O-N 3.21Å; K594-T596 VanDerWaalsContact C-N 3.34Å; K594-E597 PolarHBondContact O-N 3.31Å; K594-M598 WeakPolarHBondContact O-CB 3.5Å; K594-M598 PolarHBondContact O-N 2.93Å; K594-Y710 WeakPolarHBondContact CD-OH 3.46Å |
| 595 | A | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.8 | -45.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | P584 V586 G591 R592 M598 V599 | P584-A595 HydrophobicContact CG-CB 4.12Å; V586-A595 HydrophobicContact CG1-CB 4.05Å; G591-A595 WeakPolarHBondContact O-CB 3.31Å; G591-A595 PolarHBondContact O-N 3.22Å; R592-A595 PolarHBondContact O-N 2.73Å; A595-M598 PolarHBondContact O-N 3.28Å; A595-V599 VanDerWaalsContact O-CG2 3.3Å; A595-V599 WeakPolarHBondContact O-CG2 3.48Å; A595-V599 PolarHBondContact O-N 3.27Å |
| 596 | T | 95.2 | Very high | 93.3 | Very high | 25 Ų | 25 | 48.1 Ų | 48.1 | 15% | 0.153 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.7 | -39.4 | 178.4 | -55.9 | 0 | 0 | 0 | 0 | 112.1 | R592 L593 K594 R600 F619 | R592-T596 WeakPolarHBondContact O-CB 3.24Å; R592-T596 PolarHBondContact O-N 2.92Å; R592-T596 PolarHBondContact O-OG1 3.35Å; L593-T596 PolarHBondContact O-N 3.11Å; K594-T596 VanDerWaalsContact C-N 3.34Å; T596-R600 VanDerWaalsContact O-CB 3.27Å; T596-R600 WeakPolarHBondContact O-CB 3.19Å; T596-R600 PolarHBondContact O-N 3.33Å; T596-F619 HydrophobicContact CG2-CE1 4.06Å; T596-F619 HydrophobicContact CG2-CZ 4.14Å |
| 597 | E | 95 | Very high | 93.3 | Very high | 113 Ų | 113 | 49 Ų | 49 | 53% | 0.528 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 173.7 | -176.2 | -176.7 | -179.2 | 0 | 0 | 111.4 | L593 K594 R600 A601 F707 | L593-E597 WeakPolarHBondContact O-CB 3.3Å; L593-E597 PolarHBondContact O-N 3.12Å; K594-E597 PolarHBondContact O-N 3.31Å; E597-R600 PolarHBondContact O-N 2.94Å; E597-A601 WeakPolarHBondContact O-CB 3.35Å; E597-A601 PolarHBondContact O-N 2.92Å; E597-F707 HydrophobicContact CG-CZ 4.4Å |
| 598 | M | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.2 | -51.2 | 177 | 176.6 | 176.6 | 61.5 | 0 | 0 | 111.5 | V580 K594 A595 R600 A601 F602 Y678 F680 F707 Y710 V712 | V580-M598 HydrophobicContact CB-CE 4.36Å; V580-M598 HydrophobicContact CG1-CE 4Å; V580-M598 HydrophobicContact CG2-CE 3.42Å; V580-M598 VanDerWaalsContact CG2-CE 3.42Å; V580-M598 HydrophobicContact CG2-SD 4.09Å; K594-M598 WeakPolarHBondContact O-CB 3.5Å; K594-M598 PolarHBondContact O-N 2.93Å; A595-M598 PolarHBondContact O-N 3.28Å; M598-R600 VanDerWaalsContact C-N 3.29Å; M598-R600 PolarHBondContact O-N 3.18Å; M598-A601 WeakPolarHBondContact O-CB 3.39Å; M598-A601 PolarHBondContact O-N 2.84Å; M598-A601 VanDerWaalsContact O-N 3.1Å; M598-F602 HydrophobicContact CG-CD2 3.95Å; M598-F602 HydrophobicContact CG-CE2 3.77Å; M598-F602 VanDerWaalsContact O-CD2 3.24Å; M598-F602 WeakPolarHBondContact O-CD2 3.46Å; M598-F602 PolarHBondContact O-N 3.45Å; M598-Y678 VanDerWaalsContact CE-OH 3.25Å; M598-Y678 WeakPolarHBondContact CE-OH 3.31Å; M598-F680 HydrophobicContact CE-CE1 4.49Å; M598-F707 HydrophobicContact CB-CD1 4.16Å; M598-F707 HydrophobicContact CB-CD2 4.26Å; M598-F707 HydrophobicContact CB-CE1 4Å; M598-F707 HydrophobicContact CB-CE2 4.11Å; M598-F707 HydrophobicContact CB-CG 4.29Å; M598-F707 HydrophobicContact CB-CZ 3.98Å; M598-F707 HydrophobicContact CG-CD1 4.38Å; M598-F707 HydrophobicContact CG-CD2 3.91Å; M598-F707 HydrophobicContact CG-CE2 4.16Å; M598-F707 HydrophobicContact CG-CG 4.04Å; M598-F707 HydrophobicContact SD-CB 4.26Å; M598-F707 HydrophobicContact SD-CG 4.29Å; M598-Y710 HydrophobicContact SD-CD2 4.28Å; M598-V712 HydrophobicContact SD-CG2 3.59Å; M598-V712 VanDerWaalsContact SD-CG2 3.59Å |
| 599 | V | 96.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58 | -43.1 | 177.4 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | A595 A601 F602 A603 M611 V614 F616 F619 F680 | A595-V599 VanDerWaalsContact O-CG2 3.3Å; A595-V599 WeakPolarHBondContact O-CG2 3.48Å; A595-V599 PolarHBondContact O-N 3.27Å; V599-A601 VanDerWaalsContact C-N 3.34Å; V599-A601 PolarHBondContact O-N 2.93Å; V599-F602 PolarHBondContact O-N 3.48Å; V599-A603 VanDerWaalsContact O-CB 3.3Å; V599-A603 WeakPolarHBondContact O-CB 3.47Å; V599-A603 PolarHBondContact O-N 2.71Å; V599-M611 HydrophobicContact CG1-CE 4.08Å; V599-M611 HydrophobicContact CG1-SD 4.47Å; V599-V614 HydrophobicContact CG1-CB 4.39Å; V599-V614 HydrophobicContact CG1-CG1 3.63Å; V599-V614 HydrophobicContact CG1-CG2 4.17Å; V599-F616 HydrophobicContact CG2-CD1 3.97Å; V599-F616 HydrophobicContact CG2-CE1 3.99Å; V599-F619 HydrophobicContact CB-CZ 4.24Å; V599-F619 HydrophobicContact CG1-CE2 3.72Å; V599-F619 HydrophobicContact CG1-CZ 3.91Å; V599-F680 HydrophobicContact CG1-CE2 4.39Å; V599-F680 HydrophobicContact CG2-CD1 4.14Å; V599-F680 HydrophobicContact CG2-CD2 4.29Å; V599-F680 HydrophobicContact CG2-CE1 3.9Å; V599-F680 HydrophobicContact CG2-CE2 4.06Å; V599-F680 HydrophobicContact CG2-CG 4.32Å; V599-F680 HydrophobicContact CG2-CZ 3.84Å |
| 600 | R | 96.4 | Very high | 93.7 | Very high | 126 Ų | 126 | 40.2 Ų | 40.2 | 48% | 0.475 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.1 | -38.8 | 176.4 | -173.8 | 178.6 | -66.4 | 105.4 | 0.4 | 112.5 | T596 E597 M598 F602 A603 S604 M611 | T596-R600 VanDerWaalsContact O-CB 3.27Å; T596-R600 WeakPolarHBondContact O-CB 3.19Å; T596-R600 PolarHBondContact O-N 3.33Å; E597-R600 PolarHBondContact O-N 2.94Å; M598-R600 VanDerWaalsContact C-N 3.29Å; M598-R600 PolarHBondContact O-N 3.18Å; R600-F602 VanDerWaalsContact C-N 3.33Å; R600-A603 PolarHBondContact O-N 2.97Å; R600-S604 VanDerWaalsContact O-CB 3.32Å; R600-S604 WeakPolarHBondContact O-CB 3.18Å; R600-S604 PolarHBondContact O-N 3.38Å; R600-S604 PolarHBondContact O-OG 3.4Å; R600-M611 VanDerWaalsContact CA-SD 3.57Å; R600-M611 HydrophobicContact CB-SD 3.89Å; R600-M611 HydrophobicContact CG-SD 4.1Å |
| 601 | A | 95.7 | Very high | 93.8 | Very high | 22 Ų | 22 | 40.6 Ų | 40.6 | 18% | 0.182 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.2 | -38.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | E597 M598 V599 S605 V703 F707 | E597-A601 WeakPolarHBondContact O-CB 3.35Å; E597-A601 PolarHBondContact O-N 2.92Å; M598-A601 WeakPolarHBondContact O-CB 3.39Å; M598-A601 PolarHBondContact O-N 2.84Å; M598-A601 VanDerWaalsContact O-N 3.1Å; V599-A601 VanDerWaalsContact C-N 3.34Å; V599-A601 PolarHBondContact O-N 2.93Å; A601-S605 PolarHBondContact O-N 2.97Å; A601-V703 HydrophobicContact CB-CG1 3.82Å; A601-F707 HydrophobicContact CB-CE2 3.89Å; A601-F707 HydrophobicContact CB-CZ 4.3Å |
| 602 | F | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.8 | -48.3 | 173.8 | -81.8 | -70.5 | 0 | 0 | 0 | 112.1 | V578 M598 V599 R600 S604 S605 F680 M682 L700 V703 A704 V712 T714 | V578-F602 HydrophobicContact CG1-CD2 4.23Å; V578-F602 HydrophobicContact CG1-CE1 4.28Å; V578-F602 HydrophobicContact CG1-CE2 3.89Å; V578-F602 HydrophobicContact CG1-CZ 3.9Å; V578-F602 HydrophobicContact CG2-CD1 4.4Å; M598-F602 HydrophobicContact CG-CD2 3.95Å; M598-F602 HydrophobicContact CG-CE2 3.77Å; M598-F602 VanDerWaalsContact O-CD2 3.24Å; M598-F602 WeakPolarHBondContact O-CD2 3.46Å; M598-F602 PolarHBondContact O-N 3.45Å; V599-F602 PolarHBondContact O-N 3.48Å; R600-F602 VanDerWaalsContact C-N 3.33Å; F602-S604 VanDerWaalsContact C-N 3.31Å; F602-S604 PolarHBondContact O-N 3.23Å; F602-S605 WeakPolarHBondContact O-CB 3.23Å; F602-S605 PolarHBondContact O-N 3.08Å; F602-S605 VanDerWaalsContact O-N 3.13Å; F602-S605 PolarHBondContact O-OG 3.14Å; F602-F680 HydrophobicContact CB-CE2 4.36Å; F602-F680 HydrophobicContact CB-CZ 4.43Å; F602-F680 AromaticContact CD2-CZ 3.77Å; F602-F680 HydrophobicContact CD2-CZ 3.77Å; F602-F680 HydrophobicContact CE2-CZ 4.37Å; F602-F680 HydrophobicContact CG-CZ 4.27Å; F602-M682 HydrophobicContact CB-CE 4.28Å; F602-M682 HydrophobicContact CB-SD 3.78Å; F602-M682 HydrophobicContact CD1-CE 3.92Å; F602-M682 HydrophobicContact CG-CE 4.45Å; F602-L700 HydrophobicContact CD1-CD2 3.98Å; F602-L700 WeakPolarHBondContact CE1-O 3.46Å; F602-V703 HydrophobicContact CD1-CB 4.07Å; F602-V703 HydrophobicContact CD1-CG1 3.73Å; F602-V703 HydrophobicContact CD2-CG1 3.88Å; F602-V703 HydrophobicContact CE1-CB 3.91Å; F602-V703 HydrophobicContact CE1-CG1 3.77Å; F602-V703 HydrophobicContact CE2-CG1 3.9Å; F602-V703 HydrophobicContact CG-CG1 3.81Å; F602-V703 HydrophobicContact CZ-CB 4.31Å; F602-V703 HydrophobicContact CZ-CG1 3.86Å; F602-A704 HydrophobicContact CE1-CB 4.35Å; F602-A704 HydrophobicContact CZ-CB 3.89Å; F602-V712 HydrophobicContact CE2-CG1 3.84Å; F602-V712 HydrophobicContact CZ-CG1 3.64Å; F602-T714 HydrophobicContact CE1-CG2 3.66Å; F602-T714 HydrophobicContact CZ-CG2 4.17Å |
| 603 | A | 94.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.008 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.9 | -35.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | V599 R600 S605 G608 G610 M611 V614 | V599-A603 VanDerWaalsContact O-CB 3.3Å; V599-A603 WeakPolarHBondContact O-CB 3.47Å; V599-A603 PolarHBondContact O-N 2.71Å; R600-A603 PolarHBondContact O-N 2.97Å; A603-S605 VanDerWaalsContact C-N 3.35Å; A603-G608 CarbonylContact O-C 3.55Å; A603-G608 WeakPolarHBondContact O-CA 3.47Å; A603-G610 VanDerWaalsContact O-CA 3.27Å; A603-G610 WeakPolarHBondContact O-CA 3.26Å; A603-G610 PolarHBondContact O-N 3.26Å; A603-M611 HydrophobicContact CB-CG 4.48Å; A603-M611 HydrophobicContact CB-SD 3.69Å; A603-V614 HydrophobicContact CB-CG2 3.59Å |
| 604 | S | 94.4 | Very high | 93.6 | Very high | 88 Ų | 88 | 41.1 Ų | 41.1 | 62% | 0.615 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 7.4 | 177.8 | 62.1 | 0 | 0 | 0 | 0 | 114.3 | R600 F602 | R600-S604 VanDerWaalsContact O-CB 3.32Å; R600-S604 WeakPolarHBondContact O-CB 3.18Å; R600-S604 PolarHBondContact O-N 3.38Å; R600-S604 PolarHBondContact O-OG 3.4Å; F602-S604 VanDerWaalsContact C-N 3.31Å; F602-S604 PolarHBondContact O-N 3.23Å |
| 605 | S | 93.1 | Very high | 93.4 | Very high | 15 Ų | 15 | 36.7 Ų | 36.7 | 11% | 0.105 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -60.6 | 162.3 | 173.4 | 67.6 | 0 | 0 | 0 | 0 | 111.6 | A601 F602 A603 H607 G608 L700 | A601-S605 PolarHBondContact O-N 2.97Å; F602-S605 WeakPolarHBondContact O-CB 3.23Å; F602-S605 PolarHBondContact O-N 3.08Å; F602-S605 VanDerWaalsContact O-N 3.13Å; F602-S605 PolarHBondContact O-OG 3.14Å; A603-S605 VanDerWaalsContact C-N 3.35Å; S605-H607 PolarHBondContact O-N 3.35Å; S605-G608 PolarHBondContact O-N 2.98Å; S605-G608 PolarHBondContact OG-N 3.33Å; S605-L700 WeakPolarHBondContact OG-CD2 3.31Å |
| 606 | A | 90 | Very high | 93.5 | Very high | 85 Ų | 85 | 36.8 Ų | 36.8 | 70% | 0.702 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54 | -31.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 607 | H | 91.4 | Very high | 93.4 | Very high | 21 Ų | 21 | 35.6 Ų | 35.6 | 10% | 0.097 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -5.1 | 178.4 | -71.8 | -86.9 | 0 | 0 | 0 | 113.6 | S605 I684 R685 N686 A696 | S605-H607 PolarHBondContact O-N 3.35Å; H607-I684 CarbonylContact O-C 3.55Å; H607-I684 WeakPolarHBondContact O-CA 3.32Å; H607-R685 PolarHBondContact ND1-O 3.09Å; H607-R685 WeakPolarHBondContact O-CG 3.34Å; H607-R685 PolarHBondContact O-N 3.27Å; H607-N686 PolarHBondContact CE1-O 2.82Å; H607-N686 VanDerWaalsContact CE1-O 3.3Å; H607-N686 PolarHBondContact ND1-O 2.97Å; H607-A696 HydrophobicContact CB-CB 4.08Å |
| 608 | G | 92.7 | Very high | 93.4 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | B | Isolated β-bridge | trans | -67.5 | 151 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A603 S605 G610 R685 | A603-G608 CarbonylContact O-C 3.55Å; A603-G608 WeakPolarHBondContact O-CA 3.47Å; S605-G608 PolarHBondContact O-N 2.98Å; S605-G608 PolarHBondContact OG-N 3.33Å; G608-G610 VanDerWaalsContact C-N 3.29Å; G608-R685 PolarHBondContact O-NE 3.31Å |
| 609 | M | 91.3 | Very high | 93.2 | Very high | 39 Ų | 39 | 32.3 Ų | 32.3 | 19% | 0.192 | 19% | 0.188 | C | C | . | . | trans | -84.9 | 3.3 | 175.4 | -70.8 | -178.7 | 74.7 | 0 | 0 | 114 | Y176 P177 Y572 G573 G683 R685 | Y176-M609 HydrophobicContact CD1-CE 4.37Å; Y176-M609 HydrophobicContact CE1-CE 3.64Å; P177-M609 HydrophobicContact CB-CE 3.84Å; P177-M609 HydrophobicContact CB-SD 4.48Å; P177-M609 HydrophobicContact CG-CE 3.73Å; P177-M609 HydrophobicContact CG-SD 4.37Å; Y572-M609 VanDerWaalsContact O-CE 3.23Å; Y572-M609 WeakPolarHBondContact O-CE 3.31Å; G573-M609 WeakPolarHBondContact CA-SD 3.46Å; M609-G683 WeakPolarHBondContact CB-O 3.32Å; M609-G683 WeakPolarHBondContact CG-O 3.36Å; M609-G683 PolarHBondContact N-O 2.94Å; M609-R685 HydrophobicContact CG-CB 4.3Å; M609-R685 HydrophobicContact CG-CG 4.39Å | ||
| 610 | G | 91.9 | Very high | 93 | Very high | 25 Ų | 25 | 32.7 Ų | 32.7 | 26% | 0.258 | 19% | 0.19 | S | C | . | . | trans | 83.5 | -177.6 | -171 | 0 | 0 | 0 | 0 | 0 | 112.7 | A603 G608 D612 G613 | A603-G610 VanDerWaalsContact O-CA 3.27Å; A603-G610 WeakPolarHBondContact O-CA 3.26Å; A603-G610 PolarHBondContact O-N 3.26Å; G608-G610 VanDerWaalsContact C-N 3.29Å; G610-D612 VanDerWaalsContact C-N 3.26Å; G610-D612 PolarHBondContact O-N 3.06Å; G610-G613 PolarHBondContact O-N 3.4Å; G610-G613 VanDerWaalsContact O-N 3.11Å | ||
| 611 | M | 92.8 | Very high | 92.8 | Very high | 64 Ų | 64 | 26.7 Ų | 26.7 | 32% | 0.315 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -64.8 | -28.8 | -173.5 | -68.6 | -61.1 | -61.7 | 0 | 0 | 113.2 | V599 R600 A603 G613 V614 F619 | V599-M611 HydrophobicContact CG1-CE 4.08Å; V599-M611 HydrophobicContact CG1-SD 4.47Å; R600-M611 VanDerWaalsContact CA-SD 3.57Å; R600-M611 HydrophobicContact CB-SD 3.89Å; R600-M611 HydrophobicContact CG-SD 4.1Å; A603-M611 HydrophobicContact CB-CG 4.48Å; A603-M611 HydrophobicContact CB-SD 3.69Å; M611-G613 PolarHBondContact O-N 2.82Å; M611-V614 PolarHBondContact O-N 2.92Å; M611-V614 VanDerWaalsContact O-N 3.16Å; M611-F619 HydrophobicContact CE-CE2 3.47Å; M611-F619 VanDerWaalsContact CE-CE2 3.47Å; M611-F619 HydrophobicContact CE-CZ 3.72Å |
| 612 | D | 88 | Confident | 92.6 | Very high | 133 Ų | 133 | 28.8 Ų | 28.8 | 71% | 0.711 | 17% | 0.173 | S | C | * | . | G | 310 helix | trans | -69 | -13.8 | 177.7 | -56.4 | -40.1 | 0 | 0 | 0 | 112.9 | I178 G610 | I178-D612 VanDerWaalsContact CD1-O 3.29Å; I178-D612 WeakPolarHBondContact CD1-O 3.3Å; G610-D612 VanDerWaalsContact C-N 3.26Å; G610-D612 PolarHBondContact O-N 3.06Å |
| 613 | G | 90.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -93.4 | 3.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | G610 M611 M682 G683 | G610-G613 PolarHBondContact O-N 3.4Å; G610-G613 VanDerWaalsContact O-N 3.11Å; M611-G613 PolarHBondContact O-N 2.82Å; G613-M682 CarbonylContact O-C 3.48Å; G613-M682 WeakPolarHBondContact O-CA 3.27Å; G613-G683 PolarHBondContact O-N 3.01Å |
| 614 | V | 94.4 | Very high | 91.9 | Very high | 9 Ų | 9 | 33.4 Ų | 33.4 | 6% | 0.055 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 127.1 | -175.5 | -179.8 | 0 | 0 | 0 | 0 | 111.3 | I178 V599 A603 M611 F616 F619 F680 Y681 M682 | I178-V614 VanDerWaalsContact CD1-O 3.25Å; I178-V614 WeakPolarHBondContact CD1-O 3.36Å; V599-V614 HydrophobicContact CG1-CB 4.39Å; V599-V614 HydrophobicContact CG1-CG1 3.63Å; V599-V614 HydrophobicContact CG1-CG2 4.17Å; A603-V614 HydrophobicContact CB-CG2 3.59Å; M611-V614 PolarHBondContact O-N 2.92Å; M611-V614 VanDerWaalsContact O-N 3.16Å; V614-F616 HydrophobicContact CG1-CB 4.01Å; V614-F619 HydrophobicContact CG1-CE2 4.48Å; V614-F680 HydrophobicContact CG1-CD2 4.16Å; V614-Y681 CarbonylContact C-O 3.18Å; V614-Y681 WeakPolarHBondContact CA-O 3.49Å; V614-M682 HydrophobicContact CG2-CB 4.22Å |
| 615 | M | 91.8 | Very high | 91.6 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 105 | 168.8 | -69.2 | -69.2 | -60 | 0 | 0 | 109 | I178 P185 Y187 R656 F657 Y681 | I178-M615 HydrophobicContact CB-SD 4.31Å; I178-M615 HydrophobicContact CD1-CG 3.75Å; I178-M615 HydrophobicContact CD1-SD 3.35Å; I178-M615 WeakPolarHBondContact CD1-SD 3.29Å; I178-M615 HydrophobicContact CG1-CG 4.08Å; I178-M615 HydrophobicContact CG1-SD 3.57Å; I178-M615 VanDerWaalsContact CG1-SD 3.57Å; I178-M615 HydrophobicContact CG2-SD 3.73Å; P185-M615 HydrophobicContact CB-CE 3.79Å; P185-M615 HydrophobicContact CB-SD 4.17Å; P185-M615 HydrophobicContact CG-CE 3.81Å; Y187-M615 HydrophobicContact CD2-CG 4.01Å; Y187-M615 HydrophobicContact CG-CG 4.44Å; M615-R656 VanDerWaalsContact CE-NH1 3.31Å; M615-F657 HydrophobicContact CE-CE1 4.29Å; M615-F657 HydrophobicContact CE-CZ 3.99Å; M615-Y681 PolarHBondContact N-O 3.38Å; M615-Y681 PolarHBondContact O-N 3.46Å |
| 616 | F | 95 | Very high | 91.4 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.009 | 19% | 0.186 | C | C | . | . | trans | -135.6 | 126.9 | -179.1 | -176.6 | -149.5 | 0 | 0 | 0 | 111.2 | V599 V614 L618 F619 E620 Y678 F680 | V599-F616 HydrophobicContact CG2-CD1 3.97Å; V599-F616 HydrophobicContact CG2-CE1 3.99Å; V614-F616 HydrophobicContact CG1-CB 4.01Å; F616-L618 HydrophobicContact CD1-CB 3.84Å; F616-L618 HydrophobicContact CD2-CB 4.43Å; F616-L618 HydrophobicContact CE1-CB 3.42Å; F616-L618 VanDerWaalsContact CE1-CB 3.42Å; F616-L618 HydrophobicContact CE1-CD2 3.79Å; F616-L618 HydrophobicContact CE1-CG 4.19Å; F616-L618 HydrophobicContact CE2-CB 4.05Å; F616-L618 HydrophobicContact CG-CB 4.35Å; F616-L618 HydrophobicContact CZ-CB 3.52Å; F616-L618 HydrophobicContact CZ-CD2 4.03Å; F616-L618 HydrophobicContact CZ-CG 4.44Å; F616-L618 PolarHBondContact O-N 3.38Å; F616-F619 HydrophobicContact CB-CD2 3.95Å; F616-F619 HydrophobicContact CB-CE2 4.32Å; F616-F619 HydrophobicContact CB-CG 4.42Å; F616-F619 HydrophobicContact CD1-CD1 4.04Å; F616-F619 AromaticContact CD1-CD2 4Å; F616-F619 HydrophobicContact CD1-CD2 4Å; F616-F619 AromaticContact CD1-CE1 3.97Å; F616-F619 HydrophobicContact CD1-CE1 3.97Å; F616-F619 AromaticContact CD1-CE2 3.93Å; F616-F619 HydrophobicContact CD1-CE2 3.93Å; F616-F619 HydrophobicContact CD1-CG 4.04Å; F616-F619 AromaticContact CD1-CZ 3.92Å; F616-F619 HydrophobicContact CD1-CZ 3.92Å; F616-F619 HydrophobicContact CE1-CE1 4.36Å; F616-F619 HydrophobicContact CG-CD2 4.49Å; F616-F619 PolarHBondContact O-N 3.41Å; F616-E620 PolarHBondContact O-N 3.02Å; F616-Y678 AromaticContact CE2-CD2 3.65Å; F616-Y678 HydrophobicContact CE2-CD2 3.65Å; F616-Y678 AromaticContact CE2-CE2 3.59Å; F616-Y678 HydrophobicContact CE2-CE2 3.59Å; F616-Y678 HydrophobicContact CE2-CG 4.44Å; F616-Y678 HydrophobicContact CZ-CD2 4.21Å; F616-Y678 AromaticContact CZ-CE2 3.71Å; F616-Y678 HydrophobicContact CZ-CE2 3.71Å; F616-F680 HydrophobicContact CB-CB 3.95Å; F616-F680 HydrophobicContact CD2-CB 3.59Å; F616-F680 HydrophobicContact CD2-CG 4.41Å; F616-F680 HydrophobicContact CE2-CB 4.35Å; F616-F680 HydrophobicContact CG-CB 3.99Å | ||
| 617 | W | 94.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.8 | -34.6 | -176.9 | 66.6 | -99.5 | 0 | 0 | 0 | 113.2 | V586 E620 F621 L645 F657 I661 I675 Y678 | V586-W617 HydrophobicContact CG2-CH2 3.77Å; V586-W617 HydrophobicContact CG2-CZ2 4.23Å; W617-E620 PolarHBondContact O-N 2.97Å; W617-F621 WeakPolarHBondContact O-CB 3.42Å; W617-F621 PolarHBondContact O-N 2.69Å; W617-L645 HydrophobicContact CE3-CD1 3.9Å; W617-L645 HydrophobicContact CH2-CD2 4.11Å; W617-L645 HydrophobicContact CZ3-CD1 3.66Å; W617-L645 HydrophobicContact CZ3-CD2 3.9Å; W617-L645 HydrophobicContact CZ3-CG 4.47Å; W617-F657 HydrophobicContact CB-CB 3.75Å; W617-F657 HydrophobicContact CB-CD1 3.65Å; W617-F657 HydrophobicContact CB-CE1 4.42Å; W617-F657 HydrophobicContact CB-CG 3.78Å; W617-I661 HydrophobicContact CD2-CD1 3.68Å; W617-I661 HydrophobicContact CD2-CG1 4.1Å; W617-I661 HydrophobicContact CE3-CD1 3.94Å; W617-I661 HydrophobicContact CG-CD1 4.06Å; W617-I661 HydrophobicContact CG-CG1 4.18Å; W617-I661 HydrophobicContact CH2-CD1 4.37Å; W617-I661 HydrophobicContact CZ2-CD1 4.16Å; W617-I661 HydrophobicContact CZ2-CG1 4.36Å; W617-I661 HydrophobicContact CZ3-CD1 4.28Å; W617-I675 HydrophobicContact CH2-CD1 3.72Å; W617-I675 HydrophobicContact CZ2-CD1 3.97Å; W617-Y678 HydrophobicContact CZ2-CD1 4.34Å; W617-Y678 HydrophobicContact CZ2-CG 4.49Å; W617-Y678 AromaticContact NE1-CD2 3.98Å; W617-Y678 AromaticContact NE1-CG 3.72Å |
| 618 | L | 93.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.9 | -41 | -177.2 | -178.5 | 63.5 | 0 | 0 | 0 | 111.7 | V586 R592 F616 E620 F621 E622 L633 | V586-L618 HydrophobicContact CB-CD2 4.36Å; V586-L618 HydrophobicContact CG1-CD2 4.1Å; R592-L618 HydrophobicContact CG-CD2 4.42Å; F616-L618 HydrophobicContact CD1-CB 3.84Å; F616-L618 HydrophobicContact CD2-CB 4.43Å; F616-L618 HydrophobicContact CE1-CB 3.42Å; F616-L618 VanDerWaalsContact CE1-CB 3.42Å; F616-L618 HydrophobicContact CE1-CD2 3.79Å; F616-L618 HydrophobicContact CE1-CG 4.19Å; F616-L618 HydrophobicContact CE2-CB 4.05Å; F616-L618 HydrophobicContact CG-CB 4.35Å; F616-L618 HydrophobicContact CZ-CB 3.52Å; F616-L618 HydrophobicContact CZ-CD2 4.03Å; F616-L618 HydrophobicContact CZ-CG 4.44Å; F616-L618 PolarHBondContact O-N 3.38Å; L618-E620 VanDerWaalsContact C-N 3.29Å; L618-E620 PolarHBondContact O-N 3.17Å; L618-F621 PolarHBondContact O-N 3.05Å; L618-E622 WeakPolarHBondContact O-CG 3.49Å; L618-E622 PolarHBondContact O-N 2.86Å; L618-L633 HydrophobicContact CD1-CD1 4.45Å |
| 619 | F | 93.1 | Very high | 90.4 | Very high | 45 Ų | 45 | 47.6 Ų | 47.6 | 20% | 0.197 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.6 | -35.6 | 177.2 | -62.7 | -23.4 | 0 | 0 | 0 | 111.5 | T596 V599 M611 V614 F616 R623 | T596-F619 HydrophobicContact CG2-CE1 4.06Å; T596-F619 HydrophobicContact CG2-CZ 4.14Å; V599-F619 HydrophobicContact CB-CZ 4.24Å; V599-F619 HydrophobicContact CG1-CE2 3.72Å; V599-F619 HydrophobicContact CG1-CZ 3.91Å; M611-F619 HydrophobicContact CE-CE2 3.47Å; M611-F619 VanDerWaalsContact CE-CE2 3.47Å; M611-F619 HydrophobicContact CE-CZ 3.72Å; V614-F619 HydrophobicContact CG1-CE2 4.48Å; F616-F619 HydrophobicContact CB-CD2 3.95Å; F616-F619 HydrophobicContact CB-CE2 4.32Å; F616-F619 HydrophobicContact CB-CG 4.42Å; F616-F619 HydrophobicContact CD1-CD1 4.04Å; F616-F619 AromaticContact CD1-CD2 4Å; F616-F619 HydrophobicContact CD1-CD2 4Å; F616-F619 AromaticContact CD1-CE1 3.97Å; F616-F619 HydrophobicContact CD1-CE1 3.97Å; F616-F619 AromaticContact CD1-CE2 3.93Å; F616-F619 HydrophobicContact CD1-CE2 3.93Å; F616-F619 HydrophobicContact CD1-CG 4.04Å; F616-F619 AromaticContact CD1-CZ 3.92Å; F616-F619 HydrophobicContact CD1-CZ 3.92Å; F616-F619 HydrophobicContact CE1-CE1 4.36Å; F616-F619 HydrophobicContact CG-CD2 4.49Å; F616-F619 PolarHBondContact O-N 3.41Å; F619-R623 WeakPolarHBondContact O-CB 3.19Å; F619-R623 PolarHBondContact O-N 2.82Å; F619-R623 VanDerWaalsContact O-N 3.09Å |
| 620 | E | 91 | Very high | 90 | Very high | 8 Ų | 8 | 49.1 Ų | 49.1 | 4% | 0.037 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -73 | -34.7 | 176.7 | -64.3 | -60.3 | 155.7 | 0 | 0 | 111.9 | R180 P185 F616 W617 L618 R623 F624 F648 F657 | R180-E620 IonicContact CZ-OE1 3.27Å; R180-E620 IonicContact NE-OE1 2.66Å; R180-E620 IonicContact NH2-OE1 2.99Å; R180-E620 PolarHBondContact NH2-OE1 3.49Å; R180-E620 IonicContact NH2-OE2 2.68Å; P185-E620 HydrophobicContact CG-CG 4.05Å; F616-E620 PolarHBondContact O-N 3.02Å; W617-E620 PolarHBondContact O-N 2.97Å; L618-E620 VanDerWaalsContact C-N 3.29Å; L618-E620 PolarHBondContact O-N 3.17Å; E620-R623 PolarHBondContact O-N 3.01Å; E620-R623 IonicContact OE1-NE 2.86Å; E620-R623 IonicContact OE2-CZ 2.83Å; E620-R623 IonicContact OE2-NE 3.08Å; E620-R623 PolarHBondContact OE2-NE 3.47Å; E620-R623 IonicContact OE2-NH2 3.16Å; E620-R623 PolarHBondContact OE2-NH2 3.34Å; E620-F624 VanDerWaalsContact O-CB 3.32Å; E620-F624 WeakPolarHBondContact O-CB 3.29Å; E620-F624 PolarHBondContact O-N 3.31Å; E620-F648 HydrophobicContact CB-CZ 4.17Å; E620-F657 HydrophobicContact CB-CE2 3.97Å; E620-F657 HydrophobicContact CB-CZ 4.23Å; E620-F657 HydrophobicContact CG-CE2 3.98Å; E620-F657 HydrophobicContact CG-CZ 3.79Å |
| 621 | F | 92.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.3 | -46.9 | 172.8 | -178.2 | -127.3 | 0 | 0 | 0 | 112.2 | W617 L618 R623 F624 L625 L633 F641 L645 F648 | W617-F621 WeakPolarHBondContact O-CB 3.42Å; W617-F621 PolarHBondContact O-N 2.69Å; L618-F621 PolarHBondContact O-N 3.05Å; F621-R623 VanDerWaalsContact C-N 3.28Å; F621-R623 PolarHBondContact O-N 3.48Å; F621-F624 HydrophobicContact CD2-CD1 4.41Å; F621-F624 WeakPolarHBondContact O-CB 3.38Å; F621-F624 PolarHBondContact O-N 3.47Å; F621-L625 HydrophobicContact CD1-CD1 4.31Å; F621-L625 HydrophobicContact CD2-CG 4.42Å; F621-L625 HydrophobicContact CE1-CD1 3.95Å; F621-L625 HydrophobicContact CE2-CD1 4.24Å; F621-L625 HydrophobicContact CE2-CD2 4.1Å; F621-L625 HydrophobicContact CE2-CG 4.13Å; F621-L625 HydrophobicContact CZ-CD1 3.9Å; F621-L625 HydrophobicContact CZ-CD2 4.26Å; F621-L625 HydrophobicContact CZ-CG 4.27Å; F621-L625 WeakPolarHBondContact O-CG 3.4Å; F621-L625 PolarHBondContact O-N 3.4Å; F621-L633 HydrophobicContact CD1-CD2 4.18Å; F621-L633 HydrophobicContact CE1-CD2 3.64Å; F621-L633 HydrophobicContact CZ-CD2 4.42Å; F621-F641 HydrophobicContact CD1-CE2 4.27Å; F621-F641 HydrophobicContact CE1-CD2 4.06Å; F621-F641 AromaticContact CE1-CE2 3.72Å; F621-F641 HydrophobicContact CE1-CE2 3.72Å; F621-F641 HydrophobicContact CE1-CZ 4.42Å; F621-L645 HydrophobicContact CD1-CD1 4.3Å; F621-L645 HydrophobicContact CD2-CD1 4.37Å; F621-L645 HydrophobicContact CE1-CB 4.35Å; F621-L645 HydrophobicContact CE1-CD1 4.47Å; F621-L645 HydrophobicContact CG-CD1 4.24Å; F621-L645 HydrophobicContact CZ-CB 4.11Å; F621-F648 HydrophobicContact CB-CD1 4.24Å; F621-F648 HydrophobicContact CB-CE1 4.06Å; F621-F648 HydrophobicContact CB-CZ 4.21Å; F621-F648 HydrophobicContact CD2-CB 3.65Å; F621-F648 AromaticContact CD2-CD1 3.85Å; F621-F648 HydrophobicContact CD2-CD1 3.85Å; F621-F648 AromaticContact CD2-CD2 3.94Å; F621-F648 HydrophobicContact CD2-CD2 3.94Å; F621-F648 HydrophobicContact CD2-CE1 4.47Å; F621-F648 AromaticContact CD2-CG 3.54Å; F621-F648 HydrophobicContact CD2-CG 3.54Å; F621-F648 HydrophobicContact CE2-CB 3.75Å; F621-F648 HydrophobicContact CE2-CG 4.18Å; F621-F648 HydrophobicContact CG-CD1 4.38Å; F621-F648 HydrophobicContact CG-CG 4.46Å |
| 622 | E | 90.9 | Very high | 88.8 | Confident | 66 Ų | 66 | 53 Ų | 53 | 31% | 0.308 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -56.2 | -44.2 | 174.1 | -79.8 | -179.1 | 174.3 | 0 | 0 | 111.7 | L618 L625 V626 L633 | L618-E622 WeakPolarHBondContact O-CG 3.49Å; L618-E622 PolarHBondContact O-N 2.86Å; E622-L625 PolarHBondContact O-N 3.01Å; E622-V626 WeakPolarHBondContact O-CG2 3.18Å; E622-V626 PolarHBondContact O-N 3.48Å; E622-L633 HydrophobicContact CG-CD1 3.31Å; E622-L633 HydrophobicContact CG-CG 4.27Å |
| 623 | R | 88 | Confident | 88.4 | Confident | 70 Ų | 70 | 47.3 Ų | 47.3 | 26% | 0.264 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.1 | -43.6 | 177.9 | -170.7 | 170.5 | 73.6 | 102.5 | 1.8 | 112.1 | R180 S183 F619 E620 F621 L625 V626 E627 | R180-R623 VanDerWaalsContact CD-NH1 3.26Å; R180-R623 VanDerWaalsContact NE-NH2 3.13Å; S183-R623 PolarHBondContact O-NH2 3.2Å; F619-R623 WeakPolarHBondContact O-CB 3.19Å; F619-R623 PolarHBondContact O-N 2.82Å; F619-R623 VanDerWaalsContact O-N 3.09Å; E620-R623 PolarHBondContact O-N 3.01Å; E620-R623 IonicContact OE1-NE 2.86Å; E620-R623 IonicContact OE2-CZ 2.83Å; E620-R623 IonicContact OE2-NE 3.08Å; E620-R623 PolarHBondContact OE2-NE 3.47Å; E620-R623 IonicContact OE2-NH2 3.16Å; E620-R623 PolarHBondContact OE2-NH2 3.34Å; F621-R623 VanDerWaalsContact C-N 3.28Å; F621-R623 PolarHBondContact O-N 3.48Å; R623-L625 PolarHBondContact O-N 3.44Å; R623-V626 PolarHBondContact O-N 3.39Å; R623-E627 WeakPolarHBondContact O-CB 3.48Å; R623-E627 PolarHBondContact O-N 3.38Å |
| 624 | F | 88.5 | Confident | 87.8 | Confident | 28 Ų | 28 | 50.8 Ų | 50.8 | 12% | 0.123 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.2 | -42.5 | 177 | 169.7 | -102.5 | 0 | 0 | 0 | 112.5 | E620 F621 V626 E627 L628 F648 L651 F654 | E620-F624 VanDerWaalsContact O-CB 3.32Å; E620-F624 WeakPolarHBondContact O-CB 3.29Å; E620-F624 PolarHBondContact O-N 3.31Å; F621-F624 HydrophobicContact CD2-CD1 4.41Å; F621-F624 WeakPolarHBondContact O-CB 3.38Å; F621-F624 PolarHBondContact O-N 3.47Å; F624-V626 VanDerWaalsContact C-N 3.35Å; F624-V626 PolarHBondContact O-N 3.41Å; F624-E627 PolarHBondContact O-N 3Å; F624-L628 HydrophobicContact CD1-CD1 4.46Å; F624-L628 HydrophobicContact CD2-CD1 4.21Å; F624-L628 HydrophobicContact CD2-CG 4.41Å; F624-L628 HydrophobicContact CE1-CD1 3.72Å; F624-L628 HydrophobicContact CE2-CD1 3.41Å; F624-L628 VanDerWaalsContact CE2-CD1 3.41Å; F624-L628 HydrophobicContact CE2-CG 3.99Å; F624-L628 HydrophobicContact CZ-CD1 3.12Å; F624-L628 HydrophobicContact CZ-CG 4.15Å; F624-L628 PolarHBondContact O-N 3.3Å; F624-F648 HydrophobicContact CB-CD2 3.96Å; F624-F648 HydrophobicContact CB-CE2 3.85Å; F624-F648 HydrophobicContact CD1-CB 4.41Å; F624-F648 AromaticContact CD1-CD2 3.63Å; F624-F648 HydrophobicContact CD1-CD2 3.63Å; F624-F648 HydrophobicContact CD1-CE2 4.39Å; F624-F648 HydrophobicContact CD1-CG 4.43Å; F624-F648 HydrophobicContact CD2-CD2 4.3Å; F624-F648 HydrophobicContact CE1-CB 4.33Å; F624-F648 HydrophobicContact CE1-CD2 4.14Å; F624-F648 AromaticContact CG-CD2 3.7Å; F624-F648 HydrophobicContact CG-CD2 3.7Å; F624-F648 HydrophobicContact CG-CE2 4.05Å; F624-L651 HydrophobicContact CD2-CD1 4.48Å; F624-L651 HydrophobicContact CE1-CD1 4.26Å; F624-L651 HydrophobicContact CE2-CD1 3.47Å; F624-L651 VanDerWaalsContact CE2-CD1 3.47Å; F624-L651 HydrophobicContact CZ-CD1 3.32Å; F624-F654 HydrophobicContact CB-CE2 4.46Å; F624-F654 HydrophobicContact CB-CZ 4.42Å; F624-F654 HydrophobicContact CD2-CD2 4.37Å; F624-F654 AromaticContact CD2-CE2 3.58Å; F624-F654 HydrophobicContact CD2-CE2 3.58Å; F624-F654 HydrophobicContact CD2-CZ 4.2Å; F624-F654 HydrophobicContact CE2-CE2 4.12Å; F624-F654 HydrophobicContact CG-CE2 4.26Å |
| 625 | L | 89.4 | Confident | 87.2 | Confident | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.6 | -42 | 176.6 | -67.7 | 174.7 | 0 | 0 | 0 | 112.1 | F621 E622 R623 K629 L630 L633 M636 | F621-L625 HydrophobicContact CD1-CD1 4.31Å; F621-L625 HydrophobicContact CD2-CG 4.42Å; F621-L625 HydrophobicContact CE1-CD1 3.95Å; F621-L625 HydrophobicContact CE2-CD1 4.24Å; F621-L625 HydrophobicContact CE2-CD2 4.1Å; F621-L625 HydrophobicContact CE2-CG 4.13Å; F621-L625 HydrophobicContact CZ-CD1 3.9Å; F621-L625 HydrophobicContact CZ-CD2 4.26Å; F621-L625 HydrophobicContact CZ-CG 4.27Å; F621-L625 WeakPolarHBondContact O-CG 3.4Å; F621-L625 PolarHBondContact O-N 3.4Å; E622-L625 PolarHBondContact O-N 3.01Å; R623-L625 PolarHBondContact O-N 3.44Å; L625-K629 PolarHBondContact O-N 3.46Å; L625-K629 VanDerWaalsContact O-N 3.15Å; L625-L630 HydrophobicContact CB-CB 4.41Å; L625-L630 HydrophobicContact CD2-CB 3.88Å; L625-L630 HydrophobicContact CD2-CD1 3.63Å; L625-L630 HydrophobicContact CD2-CG 4.41Å; L625-L630 PolarHBondContact O-N 3.44Å; L625-L633 HydrophobicContact CD1-CD2 3.23Å; L625-L633 HydrophobicContact CD1-CG 3.68Å; L625-M636 HydrophobicContact CD1-CE 3.83Å; L625-M636 HydrophobicContact CD1-SD 4.48Å; L625-M636 HydrophobicContact CD2-CE 3.69Å; L625-M636 HydrophobicContact CG-CE 4.37Å |
| 626 | V | 87.9 | Confident | 86.8 | Confident | 97 Ų | 97 | 58.2 Ų | 58.2 | 59% | 0.588 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -64.1 | -42.7 | 175.8 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | E622 R623 F624 K629 | E622-V626 WeakPolarHBondContact O-CG2 3.18Å; E622-V626 PolarHBondContact O-N 3.48Å; R623-V626 PolarHBondContact O-N 3.39Å; F624-V626 VanDerWaalsContact C-N 3.35Å; F624-V626 PolarHBondContact O-N 3.41Å; V626-K629 PolarHBondContact O-N 2.88Å; V626-K629 VanDerWaalsContact O-N 3.16Å |
| 627 | E | 84.7 | Confident | 86.3 | Confident | 116 Ų | 116 | 60.8 Ų | 60.8 | 54% | 0.542 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 179.9 | -170.7 | 171.1 | -177.8 | 0 | 0 | 112.1 | R623 F624 K629 | R623-E627 WeakPolarHBondContact O-CB 3.48Å; R623-E627 PolarHBondContact O-N 3.38Å; F624-E627 PolarHBondContact O-N 3Å; E627-K629 VanDerWaalsContact C-N 3.28Å; E627-K629 PolarHBondContact O-N 3.4Å |
| 628 | L | 85.9 | Confident | 85.9 | Confident | 98 Ų | 98 | 65.6 Ų | 65.6 | 51% | 0.513 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 1.4 | 175.4 | -70.3 | -173.8 | 0 | 0 | 0 | 114.6 | F624 L630 | F624-L628 HydrophobicContact CD1-CD1 4.46Å; F624-L628 HydrophobicContact CD2-CD1 4.21Å; F624-L628 HydrophobicContact CD2-CG 4.41Å; F624-L628 HydrophobicContact CE1-CD1 3.72Å; F624-L628 HydrophobicContact CE2-CD1 3.41Å; F624-L628 VanDerWaalsContact CE2-CD1 3.41Å; F624-L628 HydrophobicContact CE2-CG 3.99Å; F624-L628 HydrophobicContact CZ-CD1 3.12Å; F624-L628 HydrophobicContact CZ-CG 4.15Å; F624-L628 PolarHBondContact O-N 3.3Å; L628-L630 HydrophobicContact CB-CD1 3.97Å; L628-L630 HydrophobicContact CB-CG 3.9Å; L628-L630 HydrophobicContact CD1-CD1 4.03Å; L628-L630 PolarHBondContact O-N 3.26Å |
| 629 | K | 83.1 | Confident | 85.5 | Confident | 194 Ų | 194 | 72.4 Ų | 72.4 | 84% | 0.843 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 31.1 | -175.1 | -54.5 | 177.4 | -178.9 | 175.1 | 0 | 113.1 | L625 V626 E627 | L625-K629 PolarHBondContact O-N 3.46Å; L625-K629 VanDerWaalsContact O-N 3.15Å; V626-K629 PolarHBondContact O-N 2.88Å; V626-K629 VanDerWaalsContact O-N 3.16Å; E627-K629 VanDerWaalsContact C-N 3.28Å; E627-K629 PolarHBondContact O-N 3.4Å |
| 630 | L | 82 | Confident | 85.3 | Confident | 72 Ų | 72 | 73.8 Ų | 73.8 | 38% | 0.377 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 157 | 172.9 | -70.4 | 172.6 | 0 | 0 | 0 | 109.7 | L625 L628 N632 | L625-L630 HydrophobicContact CB-CB 4.41Å; L625-L630 HydrophobicContact CD2-CB 3.88Å; L625-L630 HydrophobicContact CD2-CD1 3.63Å; L625-L630 HydrophobicContact CD2-CG 4.41Å; L625-L630 PolarHBondContact O-N 3.44Å; L628-L630 HydrophobicContact CB-CD1 3.97Å; L628-L630 HydrophobicContact CB-CG 3.9Å; L628-L630 HydrophobicContact CD1-CD1 4.03Å; L628-L630 PolarHBondContact O-N 3.26Å; L630-N632 PolarHBondContact O-N 3.23Å |
| 631 | P | 79.7 | Confident | 85.3 | Confident | 74 Ų | 74 | 73.5 Ų | 73.5 | 48% | 0.481 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 140.2 | 178 | 19.2 | -28.8 | 0 | 0 | 0 | 110.8 | M636 | P631-M636 HydrophobicContact CG-CE 4.22Å; P631-M636 WeakPolarHBondContact O-CE 3.38Å |
| 632 | N | 80.2 | Confident | 85.1 | Confident | 95 Ų | 95 | 74.2 Ų | 74.2 | 51% | 0.508 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -58 | 151.4 | 176.8 | -74.4 | -18.7 | 0 | 0 | 0 | 110.8 | L630 S634 L635 | L630-N632 PolarHBondContact O-N 3.23Å; N632-S634 PolarHBondContact O-N 3.36Å; N632-L635 PolarHBondContact O-N 3.36Å |
| 633 | L | 81 | Confident | 85 | Confident | 14 Ų | 14 | 74.8 Ų | 74.8 | 7% | 0.073 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -20.2 | 178.7 | -69 | -175.8 | 0 | 0 | 0 | 114.9 | R592 L618 F621 E622 L625 L635 M636 F641 | R592-L633 VanDerWaalsContact CZ-CB 3.5Å; R592-L633 PolarHBondContact NH1-O 2.87Å; R592-L633 VanDerWaalsContact NH2-C 3.31Å; R592-L633 PolarHBondContact NH2-O 3.35Å; R592-L633 VanDerWaalsContact NH2-O 3.14Å; L618-L633 HydrophobicContact CD1-CD1 4.45Å; F621-L633 HydrophobicContact CD1-CD2 4.18Å; F621-L633 HydrophobicContact CE1-CD2 3.64Å; F621-L633 HydrophobicContact CZ-CD2 4.42Å; E622-L633 HydrophobicContact CG-CD1 3.31Å; E622-L633 HydrophobicContact CG-CG 4.27Å; L625-L633 HydrophobicContact CD1-CD2 3.23Å; L625-L633 HydrophobicContact CD1-CG 3.68Å; L633-L635 VanDerWaalsContact C-N 3.32Å; L633-M636 HydrophobicContact CD2-SD 3.99Å; L633-F641 HydrophobicContact CD2-CD2 3.74Å; L633-F641 HydrophobicContact CD2-CE2 3.87Å |
| 634 | S | 76.6 | Confident | 85.1 | Confident | 74 Ų | 74 | 73.1 Ų | 73.1 | 52% | 0.517 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -19.1 | 176.6 | 53.3 | 0 | 0 | 0 | 0 | 114 | N632 | N632-S634 PolarHBondContact O-N 3.36Š|
| 635 | L | 81.3 | Confident | 85.3 | Confident | 140 Ų | 140 | 71.8 Ų | 71.8 | 73% | 0.733 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | -10.6 | -178 | -66.5 | 166.6 | 0 | 0 | 0 | 113 | N632 L633 | N632-L635 PolarHBondContact O-N 3.36Å; L633-L635 VanDerWaalsContact C-N 3.32Å |
| 636 | M | 83.2 | Confident | 85.3 | Confident | 27 Ų | 27 | 75.5 Ų | 75.5 | 13% | 0.133 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -78.3 | 142.9 | -178.3 | -66.9 | -171.7 | 174.4 | 0 | 0 | 111.4 | L625 P631 L633 D640 | L625-M636 HydrophobicContact CD1-CE 3.83Å; L625-M636 HydrophobicContact CD1-SD 4.48Å; L625-M636 HydrophobicContact CD2-CE 3.69Å; L625-M636 HydrophobicContact CG-CE 4.37Å; P631-M636 HydrophobicContact CG-CE 4.22Å; P631-M636 WeakPolarHBondContact O-CE 3.38Å; L633-M636 HydrophobicContact CD2-SD 3.99Å; M636-D640 HydrophobicContact CB-CB 4.39Å |
| 637 | S | 85.7 | Confident | 85.4 | Confident | 55 Ų | 55 | 76.8 Ų | 76.8 | 39% | 0.385 | 39% | 0.386 | S | S | . | . | trans | -71.1 | 159.5 | 165.7 | 79.5 | 0 | 0 | 0 | 0 | 110.4 | K639 D640 F641 | S637-K639 PolarHBondContact O-N 2.84Å; S637-D640 VanDerWaalsContact CB-OD2 3.27Å; S637-D640 WeakPolarHBondContact CB-OD2 3.06Å; S637-D640 PolarHBondContact N-OD2 3.07Å; S637-D640 PolarHBondContact O-N 3.09Å; S637-D640 VanDerWaalsContact O-N 3.16Å; S637-D640 PolarHBondContact OG-N 2.88Å; S637-D640 PolarHBondContact OG-OD1 3.45Å; S637-D640 PolarHBondContact OG-OD2 2.79Å; S637-F641 PolarHBondContact O-N 3.44Å | ||
| 638 | K | 85.3 | Confident | 85.7 | Confident | 102 Ų | 102 | 71.3 Ų | 71.3 | 44% | 0.443 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -55.6 | -36.2 | 176.8 | -178.1 | 164.7 | 178.3 | 162 | 0 | 112.3 | D585 F641 Y642 | D585-K638 IonicContact OD2-NZ 3.15Å; D585-K638 PolarHBondContact OD2-NZ 3.4Å; K638-F641 WeakPolarHBondContact O-CB 3.36Å; K638-Y642 HydrophobicContact CD-CE2 4.42Å; K638-Y642 HydrophobicContact CG-CD2 4.08Å; K638-Y642 HydrophobicContact CG-CE2 3.75Å; K638-Y642 WeakPolarHBondContact O-CD2 3.35Å; K638-Y642 PolarHBondContact O-N 2.99Å |
| 639 | K | 85.9 | Confident | 86 | Confident | 143 Ų | 143 | 66.9 Ų | 66.9 | 62% | 0.622 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -68.8 | -48.3 | 177.1 | -174.5 | 176.4 | 171.4 | 177.9 | 0 | 111.5 | S637 F641 Y642 E643 | S637-K639 PolarHBondContact O-N 2.84Å; K639-F641 PolarHBondContact O-N 2.88Å; K639-Y642 PolarHBondContact O-N 3.33Å; K639-Y642 VanDerWaalsContact O-N 3.17Å; K639-E643 WeakPolarHBondContact CE-OE1 3.34Å; K639-E643 IonicContact NZ-OE1 3.21Å; K639-E643 PolarHBondContact O-N 2.89Å |
| 640 | D | 87.8 | Confident | 86.2 | Confident | 73 Ų | 73 | 64.3 Ų | 64.3 | 39% | 0.39 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.7 | -34.3 | 179 | -53.5 | -37 | 0 | 0 | 0 | 111.6 | M636 S637 S644 | M636-D640 HydrophobicContact CB-CB 4.39Å; S637-D640 VanDerWaalsContact CB-OD2 3.27Å; S637-D640 WeakPolarHBondContact CB-OD2 3.06Å; S637-D640 PolarHBondContact N-OD2 3.07Å; S637-D640 PolarHBondContact O-N 3.09Å; S637-D640 VanDerWaalsContact O-N 3.16Å; S637-D640 PolarHBondContact OG-N 2.88Å; S637-D640 PolarHBondContact OG-OD1 3.45Å; S637-D640 PolarHBondContact OG-OD2 2.79Å; D640-S644 WeakPolarHBondContact O-CB 3.44Å; D640-S644 PolarHBondContact O-N 3.03Å; D640-S644 PolarHBondContact O-OG 3.44Å |
| 641 | F | 90.7 | Very high | 86.5 | Confident | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.009 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.5 | -53.6 | 173.8 | 173.6 | -94.7 | 0 | 0 | 0 | 111.5 | V586 F621 L633 S637 K638 K639 S644 L645 I675 | V586-F641 HydrophobicContact CG2-CE1 4.28Å; V586-F641 HydrophobicContact CG2-CZ 3.95Å; F621-F641 HydrophobicContact CD1-CE2 4.27Å; F621-F641 HydrophobicContact CE1-CD2 4.06Å; F621-F641 AromaticContact CE1-CE2 3.72Å; F621-F641 HydrophobicContact CE1-CE2 3.72Å; F621-F641 HydrophobicContact CE1-CZ 4.42Å; L633-F641 HydrophobicContact CD2-CD2 3.74Å; L633-F641 HydrophobicContact CD2-CE2 3.87Å; S637-F641 PolarHBondContact O-N 3.44Å; K638-F641 WeakPolarHBondContact O-CB 3.36Å; K639-F641 PolarHBondContact O-N 2.88Å; F641-S644 PolarHBondContact O-N 3.43Å; F641-L645 HydrophobicContact CE1-CD2 4.05Å; F641-L645 HydrophobicContact CZ-CD2 4.29Å; F641-L645 VanDerWaalsContact O-CB 3.23Å; F641-L645 WeakPolarHBondContact O-CB 3.45Å; F641-L645 PolarHBondContact O-N 3.5Å; F641-I675 HydrophobicContact CE1-CD1 4.48Å |
| 642 | Y | 90.2 | Very high | 86.5 | Confident | 15 Ų | 15 | 63.1 Ų | 63.1 | 6% | 0.059 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.7 | -36.6 | -178.2 | -75 | -66.1 | 0 | 0 | 0 | 112.7 | K638 K639 L645 R646 W663 I675 | K638-Y642 HydrophobicContact CD-CE2 4.42Å; K638-Y642 HydrophobicContact CG-CD2 4.08Å; K638-Y642 HydrophobicContact CG-CE2 3.75Å; K638-Y642 WeakPolarHBondContact O-CD2 3.35Å; K638-Y642 PolarHBondContact O-N 2.99Å; K639-Y642 PolarHBondContact O-N 3.33Å; K639-Y642 VanDerWaalsContact O-N 3.17Å; Y642-L645 PolarHBondContact O-N 3.02Å; Y642-R646 VanDerWaalsContact O-CG 3.32Å; Y642-R646 WeakPolarHBondContact O-CG 3.23Å; Y642-R646 PolarHBondContact O-N 3.25Å; Y642-W663 HydrophobicContact CD1-CH2 4.16Å; Y642-W663 AromaticContact CD1-CZ3 3.76Å; Y642-W663 HydrophobicContact CD1-CZ3 3.76Å; Y642-W663 HydrophobicContact CE1-CZ3 4.02Å; Y642-I675 HydrophobicContact CE1-CD1 4.01Å; Y642-I675 HydrophobicContact CE1-CG1 4.01Å |
| 643 | E | 88.5 | Confident | 86.4 | Confident | 79 Ų | 79 | 60 Ų | 60 | 37% | 0.369 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.2 | -47.2 | 174.3 | -71.9 | 179.9 | 178.4 | 0 | 0 | 111.3 | K639 L645 R646 H647 | K639-E643 WeakPolarHBondContact CE-OE1 3.34Å; K639-E643 IonicContact NZ-OE1 3.21Å; K639-E643 PolarHBondContact O-N 2.89Å; E643-L645 VanDerWaalsContact C-N 3.31Å; E643-L645 PolarHBondContact O-N 3.43Å; E643-R646 PolarHBondContact O-N 3.22Å; E643-H647 PolarHBondContact O-CD2 3.08Å; E643-H647 PolarHBondContact O-N 3.5Å |
| 644 | S | 89.9 | Confident | 86.7 | Confident | 34 Ų | 34 | 59.5 Ų | 59.5 | 24% | 0.238 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.5 | -37.9 | 176.5 | -59.1 | 0 | 0 | 0 | 0 | 112 | D640 F641 H647 F648 | D640-S644 WeakPolarHBondContact O-CB 3.44Å; D640-S644 PolarHBondContact O-N 3.03Å; D640-S644 PolarHBondContact O-OG 3.44Å; F641-S644 PolarHBondContact O-N 3.43Å; S644-H647 PolarHBondContact O-N 2.85Å; S644-F648 WeakPolarHBondContact O-CB 3.23Å; S644-F648 PolarHBondContact O-N 3Å |
| 645 | L | 91.7 | Very high | 87 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.6 | -45.5 | 176.4 | 179 | 59 | 0 | 0 | 0 | 111.1 | W617 F621 F641 Y642 E643 H647 F648 L649 I661 W663 I675 | W617-L645 HydrophobicContact CE3-CD1 3.9Å; W617-L645 HydrophobicContact CH2-CD2 4.11Å; W617-L645 HydrophobicContact CZ3-CD1 3.66Å; W617-L645 HydrophobicContact CZ3-CD2 3.9Å; W617-L645 HydrophobicContact CZ3-CG 4.47Å; F621-L645 HydrophobicContact CD1-CD1 4.3Å; F621-L645 HydrophobicContact CD2-CD1 4.37Å; F621-L645 HydrophobicContact CE1-CB 4.35Å; F621-L645 HydrophobicContact CE1-CD1 4.47Å; F621-L645 HydrophobicContact CG-CD1 4.24Å; F621-L645 HydrophobicContact CZ-CB 4.11Å; F641-L645 HydrophobicContact CE1-CD2 4.05Å; F641-L645 HydrophobicContact CZ-CD2 4.29Å; F641-L645 VanDerWaalsContact O-CB 3.23Å; F641-L645 WeakPolarHBondContact O-CB 3.45Å; F641-L645 PolarHBondContact O-N 3.5Å; Y642-L645 PolarHBondContact O-N 3.02Å; E643-L645 VanDerWaalsContact C-N 3.31Å; E643-L645 PolarHBondContact O-N 3.43Å; L645-H647 VanDerWaalsContact C-N 3.33Å; L645-H647 PolarHBondContact O-N 3.12Å; L645-F648 HydrophobicContact CD1-CD1 4.12Å; L645-F648 WeakPolarHBondContact O-CB 3.44Å; L645-F648 PolarHBondContact O-N 3.4Å; L645-F648 VanDerWaalsContact O-N 3.14Å; L645-L649 HydrophobicContact CD1-CD1 4.22Å; L645-L649 HydrophobicContact CD1-CD2 4.44Å; L645-L649 HydrophobicContact CD1-CG 4.17Å; L645-L649 HydrophobicContact CG-CD1 4.1Å; L645-L649 HydrophobicContact CG-CG 4.48Å; L645-L649 VanDerWaalsContact O-CG 3.24Å; L645-L649 WeakPolarHBondContact O-CG 3.5Å; L645-L649 PolarHBondContact O-N 3.36Å; L645-I661 HydrophobicContact CD1-CD1 4.36Å; L645-I661 HydrophobicContact CD2-CD1 4.37Å; L645-W663 HydrophobicContact CD2-CH2 3.89Å; L645-W663 HydrophobicContact CD2-CZ2 4.5Å; L645-W663 HydrophobicContact CG-CH2 4.35Å; L645-I675 HydrophobicContact CD2-CD1 3.98Å |
| 646 | R | 90.2 | Very high | 87.2 | Confident | 82 Ų | 82 | 52 Ų | 52 | 31% | 0.309 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.8 | -45.9 | 175.7 | -74.6 | 173.5 | -177.2 | 151.7 | -3.5 | 111.1 | Y642 E643 F648 L649 E650 W663 D671 S673 | Y642-R646 VanDerWaalsContact O-CG 3.32Å; Y642-R646 WeakPolarHBondContact O-CG 3.23Å; Y642-R646 PolarHBondContact O-N 3.25Å; E643-R646 PolarHBondContact O-N 3.22Å; R646-F648 VanDerWaalsContact C-N 3.33Å; R646-F648 PolarHBondContact O-N 2.95Å; R646-L649 PolarHBondContact O-N 3.07Å; R646-E650 WeakPolarHBondContact O-CG 3.27Å; R646-E650 PolarHBondContact O-N 2.63Å; R646-E650 VanDerWaalsContact O-N 3.1Å; R646-W663 HydrophobicContact CG-CH2 4.48Å; R646-D671 PolarHBondContact NH2-O 3.3Å; R646-S673 PolarHBondContact NH2-OG 2.98Å |
| 647 | H | 89.7 | Confident | 87.6 | Confident | 123 Ų | 123 | 50.8 Ų | 50.8 | 57% | 0.569 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -60.3 | -40.6 | 174.3 | -72.2 | -46.5 | 0 | 0 | 0 | 113 | E643 S644 L645 L649 E650 L651 | E643-H647 PolarHBondContact O-CD2 3.08Å; E643-H647 PolarHBondContact O-N 3.5Å; S644-H647 PolarHBondContact O-N 2.85Å; L645-H647 VanDerWaalsContact C-N 3.33Å; L645-H647 PolarHBondContact O-N 3.12Å; H647-L649 PolarHBondContact O-N 3.44Å; H647-E650 IonicContact ND1-OE2 4Å; H647-E650 PolarHBondContact O-N 3.04Å; H647-L651 WeakPolarHBondContact O-CG 2.97Å; H647-L651 PolarHBondContact O-N 2.76Å |
| 648 | F | 91.4 | Very high | 87.8 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 0% | 0.004 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 175.1 | 166.1 | -100.5 | 0 | 0 | 0 | 112.4 | E620 F621 F624 S644 L645 R646 E650 L651 F654 F657 | E620-F648 HydrophobicContact CB-CZ 4.17Å; F621-F648 HydrophobicContact CB-CD1 4.24Å; F621-F648 HydrophobicContact CB-CE1 4.06Å; F621-F648 HydrophobicContact CB-CZ 4.21Å; F621-F648 HydrophobicContact CD2-CB 3.65Å; F621-F648 AromaticContact CD2-CD1 3.85Å; F621-F648 HydrophobicContact CD2-CD1 3.85Å; F621-F648 AromaticContact CD2-CD2 3.94Å; F621-F648 HydrophobicContact CD2-CD2 3.94Å; F621-F648 HydrophobicContact CD2-CE1 4.47Å; F621-F648 AromaticContact CD2-CG 3.54Å; F621-F648 HydrophobicContact CD2-CG 3.54Å; F621-F648 HydrophobicContact CE2-CB 3.75Å; F621-F648 HydrophobicContact CE2-CG 4.18Å; F621-F648 HydrophobicContact CG-CD1 4.38Å; F621-F648 HydrophobicContact CG-CG 4.46Å; F624-F648 HydrophobicContact CB-CD2 3.96Å; F624-F648 HydrophobicContact CB-CE2 3.85Å; F624-F648 HydrophobicContact CD1-CB 4.41Å; F624-F648 AromaticContact CD1-CD2 3.63Å; F624-F648 HydrophobicContact CD1-CD2 3.63Å; F624-F648 HydrophobicContact CD1-CE2 4.39Å; F624-F648 HydrophobicContact CD1-CG 4.43Å; F624-F648 HydrophobicContact CD2-CD2 4.3Å; F624-F648 HydrophobicContact CE1-CB 4.33Å; F624-F648 HydrophobicContact CE1-CD2 4.14Å; F624-F648 AromaticContact CG-CD2 3.7Å; F624-F648 HydrophobicContact CG-CD2 3.7Å; F624-F648 HydrophobicContact CG-CE2 4.05Å; S644-F648 WeakPolarHBondContact O-CB 3.23Å; S644-F648 PolarHBondContact O-N 3Å; L645-F648 HydrophobicContact CD1-CD1 4.12Å; L645-F648 WeakPolarHBondContact O-CB 3.44Å; L645-F648 PolarHBondContact O-N 3.4Å; L645-F648 VanDerWaalsContact O-N 3.14Å; R646-F648 VanDerWaalsContact C-N 3.33Å; R646-F648 PolarHBondContact O-N 2.95Å; F648-E650 VanDerWaalsContact C-N 3.28Å; F648-E650 PolarHBondContact O-N 3.36Å; F648-L651 WeakPolarHBondContact O-CB 3.13Å; F648-L651 PolarHBondContact O-N 3.43Å; F648-F654 HydrophobicContact CD2-CB 4.08Å; F648-F654 AromaticContact CD2-CD2 3.7Å; F648-F654 HydrophobicContact CD2-CD2 3.7Å; F648-F654 HydrophobicContact CD2-CE2 4.21Å; F648-F654 AromaticContact CD2-CG 3.86Å; F648-F654 HydrophobicContact CD2-CG 3.86Å; F648-F654 HydrophobicContact CE1-CB 4.09Å; F648-F654 HydrophobicContact CE1-CG 4.47Å; F648-F654 HydrophobicContact CE2-CB 3.64Å; F648-F654 AromaticContact CE2-CD1 3.46Å; F648-F654 HydrophobicContact CE2-CD1 3.46Å; F648-F654 VanDerWaalsContact CE2-CD1 3.46Å; F648-F654 AromaticContact CE2-CD2 3.38Å; F648-F654 HydrophobicContact CE2-CD2 3.38Å; F648-F654 AromaticContact CE2-CE1 3.85Å; F648-F654 HydrophobicContact CE2-CE1 3.85Å; F648-F654 AromaticContact CE2-CE2 3.79Å; F648-F654 HydrophobicContact CE2-CE2 3.79Å; F648-F654 AromaticContact CE2-CG 3.19Å; F648-F654 HydrophobicContact CE2-CG 3.19Å; F648-F654 AromaticContact CE2-CZ 3.99Å; F648-F654 HydrophobicContact CE2-CZ 3.99Å; F648-F654 HydrophobicContact CZ-CB 3.64Å; F648-F654 AromaticContact CZ-CD1 3.59Å; F648-F654 HydrophobicContact CZ-CD1 3.59Å; F648-F654 HydrophobicContact CZ-CD2 4.22Å; F648-F654 HydrophobicContact CZ-CE1 4.25Å; F648-F654 AromaticContact CZ-CG 3.56Å; F648-F654 HydrophobicContact CZ-CG 3.56Å; F648-F657 HydrophobicContact CE1-CD2 4.34Å; F648-F657 HydrophobicContact CZ-CD2 4.18Å |
| 649 | L | 91.3 | Very high | 87.9 | Confident | 5 Ų | 5 | 50.7 Ų | 50.7 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72.6 | -18.9 | -179.4 | -61.2 | 170.8 | 0 | 0 | 0 | 113.4 | L645 R646 H647 E655 F657 R658 I661 W663 | L645-L649 HydrophobicContact CD1-CD1 4.22Å; L645-L649 HydrophobicContact CD1-CD2 4.44Å; L645-L649 HydrophobicContact CD1-CG 4.17Å; L645-L649 HydrophobicContact CG-CD1 4.1Å; L645-L649 HydrophobicContact CG-CG 4.48Å; L645-L649 VanDerWaalsContact O-CG 3.24Å; L645-L649 WeakPolarHBondContact O-CG 3.5Å; L645-L649 PolarHBondContact O-N 3.36Å; R646-L649 PolarHBondContact O-N 3.07Å; H647-L649 PolarHBondContact O-N 3.44Å; L649-E655 WeakPolarHBondContact O-CA 3.45Å; L649-F657 HydrophobicContact CD2-CB 3.89Å; L649-R658 HydrophobicContact CB-CB 4.25Å; L649-I661 HydrophobicContact CD1-CD1 3.82Å; L649-I661 HydrophobicContact CD2-CD1 4.04Å; L649-W663 HydrophobicContact CD1-CZ2 3.71Å |
| 650 | E | 88.3 | Confident | 88.2 | Confident | 140 Ų | 140 | 44 Ų | 44 | 65% | 0.654 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -84.7 | -13.1 | 174.6 | -72.9 | 173 | 175.9 | 0 | 0 | 113.1 | R646 H647 F648 G652 | R646-E650 WeakPolarHBondContact O-CG 3.27Å; R646-E650 PolarHBondContact O-N 2.63Å; R646-E650 VanDerWaalsContact O-N 3.1Å; H647-E650 IonicContact ND1-OE2 4Å; H647-E650 PolarHBondContact O-N 3.04Å; F648-E650 VanDerWaalsContact C-N 3.28Å; F648-E650 PolarHBondContact O-N 3.36Å; E650-G652 PolarHBondContact O-N 3.4Å |
| 651 | L | 87.1 | Confident | 88.4 | Confident | 72 Ų | 72 | 40.8 Ų | 40.8 | 38% | 0.377 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -73.4 | 125.2 | 176.4 | -66.8 | 171 | 0 | 0 | 0 | 109.9 | F624 H647 F648 A653 F654 E655 | F624-L651 HydrophobicContact CD2-CD1 4.48Å; F624-L651 HydrophobicContact CE1-CD1 4.26Å; F624-L651 HydrophobicContact CE2-CD1 3.47Å; F624-L651 VanDerWaalsContact CE2-CD1 3.47Å; F624-L651 HydrophobicContact CZ-CD1 3.32Å; H647-L651 WeakPolarHBondContact O-CG 2.97Å; H647-L651 PolarHBondContact O-N 2.76Å; F648-L651 WeakPolarHBondContact O-CB 3.13Å; F648-L651 PolarHBondContact O-N 3.43Å; L651-A653 PolarHBondContact O-N 3.39Å; L651-F654 HydrophobicContact CB-CD2 4.25Å; L651-F654 HydrophobicContact CD1-CD2 4.3Å; L651-F654 CarbonylContact O-C 3.51Å; L651-F654 PolarHBondContact O-N 3.28Å; L651-E655 PolarHBondContact O-N 2.94Å |
| 652 | G | 81 | Confident | 88.5 | Confident | 50 Ų | 50 | 44.4 Ų | 44.4 | 52% | 0.515 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -26.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | E650 F654 | E650-G652 PolarHBondContact O-N 3.4Å; G652-F654 VanDerWaalsContact C-N 3.33Å; G652-F654 PolarHBondContact O-N 3.47Å |
| 653 | A | 78.5 | Confident | 88.6 | Confident | 28 Ų | 28 | 46.8 Ų | 46.8 | 23% | 0.231 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -24.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114 | Q184 L651 | Q184-A653 HydrophobicContact CB-CB 4.46Å; Q184-A653 WeakPolarHBondContact CG-O 3.3Å; L651-A653 PolarHBondContact O-N 3.39Å |
| 654 | F | 87 | Confident | 88.5 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | -1.2 | -174 | -60.4 | -66.4 | 0 | 0 | 0 | 113.5 | S183 F624 F648 L651 G652 R656 F657 | S183-F654 WeakPolarHBondContact O-CE1 3.24Å; F624-F654 HydrophobicContact CB-CE2 4.46Å; F624-F654 HydrophobicContact CB-CZ 4.42Å; F624-F654 HydrophobicContact CD2-CD2 4.37Å; F624-F654 AromaticContact CD2-CE2 3.58Å; F624-F654 HydrophobicContact CD2-CE2 3.58Å; F624-F654 HydrophobicContact CD2-CZ 4.2Å; F624-F654 HydrophobicContact CE2-CE2 4.12Å; F624-F654 HydrophobicContact CG-CE2 4.26Å; F648-F654 HydrophobicContact CD2-CB 4.08Å; F648-F654 AromaticContact CD2-CD2 3.7Å; F648-F654 HydrophobicContact CD2-CD2 3.7Å; F648-F654 HydrophobicContact CD2-CE2 4.21Å; F648-F654 AromaticContact CD2-CG 3.86Å; F648-F654 HydrophobicContact CD2-CG 3.86Å; F648-F654 HydrophobicContact CE1-CB 4.09Å; F648-F654 HydrophobicContact CE1-CG 4.47Å; F648-F654 HydrophobicContact CE2-CB 3.64Å; F648-F654 AromaticContact CE2-CD1 3.46Å; F648-F654 HydrophobicContact CE2-CD1 3.46Å; F648-F654 VanDerWaalsContact CE2-CD1 3.46Å; F648-F654 AromaticContact CE2-CD2 3.38Å; F648-F654 HydrophobicContact CE2-CD2 3.38Å; F648-F654 AromaticContact CE2-CE1 3.85Å; F648-F654 HydrophobicContact CE2-CE1 3.85Å; F648-F654 AromaticContact CE2-CE2 3.79Å; F648-F654 HydrophobicContact CE2-CE2 3.79Å; F648-F654 AromaticContact CE2-CG 3.19Å; F648-F654 HydrophobicContact CE2-CG 3.19Å; F648-F654 AromaticContact CE2-CZ 3.99Å; F648-F654 HydrophobicContact CE2-CZ 3.99Å; F648-F654 HydrophobicContact CZ-CB 3.64Å; F648-F654 AromaticContact CZ-CD1 3.59Å; F648-F654 HydrophobicContact CZ-CD1 3.59Å; F648-F654 HydrophobicContact CZ-CD2 4.22Å; F648-F654 HydrophobicContact CZ-CE1 4.25Å; F648-F654 AromaticContact CZ-CG 3.56Å; F648-F654 HydrophobicContact CZ-CG 3.56Å; L651-F654 HydrophobicContact CB-CD2 4.25Å; L651-F654 HydrophobicContact CD1-CD2 4.3Å; L651-F654 CarbonylContact O-C 3.51Å; L651-F654 PolarHBondContact O-N 3.28Å; G652-F654 VanDerWaalsContact C-N 3.33Å; G652-F654 PolarHBondContact O-N 3.47Å; F654-R656 PolarHBondContact O-N 2.83Å; F654-F657 HydrophobicContact CB-CD2 4.22Å; F654-F657 HydrophobicContact CD1-CD2 4.24Å; F654-F657 HydrophobicContact CD1-CE2 4.08Å; F654-F657 WeakPolarHBondContact O-CB 3.27Å; F654-F657 WeakPolarHBondContact O-CD2 3.12Å; F654-F657 PolarHBondContact O-N 3.35Å |
| 655 | E | 83 | Confident | 88.2 | Confident | 23 Ų | 23 | 51.9 Ų | 51.9 | 11% | 0.107 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -52.7 | -31.4 | 180 | -166 | -159.1 | 132.9 | 0 | 0 | 113.3 | W147 E148 L649 L651 F657 R658 | W147-E655 HydrophobicContact CZ2-CB 4.25Å; W147-E655 HydrophobicContact CZ2-CG 4.41Å; W147-E655 PolarHBondContact NE1-OE1 3.15Å; E148-E655 WeakPolarHBondContact CG-OE1 3.24Å; L649-E655 WeakPolarHBondContact O-CA 3.45Å; L651-E655 PolarHBondContact O-N 2.94Å; E655-F657 PolarHBondContact O-N 3.33Å; E655-R658 WeakPolarHBondContact O-CB 3.28Å; E655-R658 PolarHBondContact O-N 3.05Å |
| 656 | R | 85.2 | Confident | 87.6 | Confident | 34 Ų | 34 | 53.9 Ų | 53.9 | 13% | 0.128 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -49.3 | -35 | 172.5 | 65.1 | 168.8 | -72.4 | 164.9 | 8.7 | 113.6 | H89 P185 M615 F654 R658 | H89-R656 PolarHBondContact NE2-NH2 3.35Å; P185-R656 PolarHBondContact O-NH1 2.96Å; M615-R656 VanDerWaalsContact CE-NH1 3.31Å; F654-R656 PolarHBondContact O-N 2.83Å; R656-R658 VanDerWaalsContact C-N 3.29Å; R656-R658 PolarHBondContact O-N 3.25Å |
| 657 | F | 90.7 | Very high | 87 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -78.8 | -14.8 | -176.7 | -65.4 | -61.1 | 0 | 0 | 0 | 112.4 | P185 M615 W617 E620 F648 L649 F654 E655 F659 D660 | P185-F657 HydrophobicContact CG-CE2 3.89Å; P185-F657 HydrophobicContact CG-CZ 3.73Å; M615-F657 HydrophobicContact CE-CE1 4.29Å; M615-F657 HydrophobicContact CE-CZ 3.99Å; W617-F657 HydrophobicContact CB-CB 3.75Å; W617-F657 HydrophobicContact CB-CD1 3.65Å; W617-F657 HydrophobicContact CB-CE1 4.42Å; W617-F657 HydrophobicContact CB-CG 3.78Å; E620-F657 HydrophobicContact CB-CE2 3.97Å; E620-F657 HydrophobicContact CB-CZ 4.23Å; E620-F657 HydrophobicContact CG-CE2 3.98Å; E620-F657 HydrophobicContact CG-CZ 3.79Å; F648-F657 HydrophobicContact CE1-CD2 4.34Å; F648-F657 HydrophobicContact CZ-CD2 4.18Å; L649-F657 HydrophobicContact CD2-CB 3.89Å; F654-F657 HydrophobicContact CB-CD2 4.22Å; F654-F657 HydrophobicContact CD1-CD2 4.24Å; F654-F657 HydrophobicContact CD1-CE2 4.08Å; F654-F657 WeakPolarHBondContact O-CB 3.27Å; F654-F657 WeakPolarHBondContact O-CD2 3.12Å; F654-F657 PolarHBondContact O-N 3.35Å; E655-F657 PolarHBondContact O-N 3.33Å; F657-F659 PolarHBondContact O-N 2.99Å; F657-D660 WeakPolarHBondContact CD1-OD2 3.39Å; F657-D660 WeakPolarHBondContact O-CB 3.44Å; F657-D660 PolarHBondContact O-N 3.32Å |
| 658 | R | 89.7 | Confident | 86.5 | Confident | 120 Ų | 120 | 55.1 Ų | 55.1 | 45% | 0.453 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -57.2 | -38.9 | 172.4 | -175.5 | -177.2 | 175.2 | -171.2 | 0.2 | 110.6 | E148 L649 E655 R656 D660 | E148-R658 IonicContact OE1-NH1 2.91Å; E148-R658 PolarHBondContact OE1-NH1 3.11Å; E148-R658 VanDerWaalsContact OE1-NH1 3.12Å; L649-R658 HydrophobicContact CB-CB 4.25Å; E655-R658 WeakPolarHBondContact O-CB 3.28Å; E655-R658 PolarHBondContact O-N 3.05Å; R656-R658 VanDerWaalsContact C-N 3.29Å; R656-R658 PolarHBondContact O-N 3.25Å; R658-D660 PolarHBondContact O-N 3.19Å |
| 659 | F | 88.3 | Confident | 85.8 | Confident | 35 Ų | 35 | 61.2 Ų | 61.2 | 15% | 0.154 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -79.8 | 2.1 | 178.2 | -56.7 | -72.3 | 0 | 0 | 0 | 113.5 | W78 N84 V86 W147 F657 R679 | W78-F659 PolarHBondContact NE1-O 2.93Å; W78-F659 VanDerWaalsContact NE1-O 3.14Å; N84-F659 HydrophobicContact CB-CD1 3.97Å; N84-F659 HydrophobicContact CB-CE1 3.57Å; N84-F659 HydrophobicContact CB-CZ 4.25Å; V86-F659 HydrophobicContact CG2-CB 4.38Å; V86-F659 HydrophobicContact CG2-CD2 3.7Å; V86-F659 HydrophobicContact CG2-CE2 4.35Å; V86-F659 HydrophobicContact CG2-CG 4.25Å; W147-F659 AromaticContact NE1-CE2 3.83Å; F657-F659 PolarHBondContact O-N 2.99Å; F659-R679 PolarHBondContact O-NE 2.81Å; F659-R679 PolarHBondContact O-NH2 2.94Å |
| 660 | D | 91.6 | Very high | 84.8 | Confident | 2 Ų | 2 | 64.9 Ų | 64.9 | 1% | 0.011 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -100.3 | -8.2 | 176.1 | -65.9 | -29.8 | 0 | 0 | 0 | 113.4 | H89 F657 R658 Y678 R679 | H89-D660 IonicContact CE1-OD1 3.88Å; H89-D660 PolarHBondContact CE1-OD1 3.42Å; H89-D660 IonicContact CE1-OD2 3.88Å; H89-D660 PolarHBondContact CE1-OD2 2.89Å; H89-D660 IonicContact ND1-OD1 3.52Å; H89-D660 PolarHBondContact ND1-OD1 3.14Å; H89-D660 VanDerWaalsContact ND1-OD1 3.12Å; F657-D660 WeakPolarHBondContact CD1-OD2 3.39Å; F657-D660 WeakPolarHBondContact O-CB 3.44Å; F657-D660 PolarHBondContact O-N 3.32Å; R658-D660 PolarHBondContact O-N 3.19Å; D660-Y678 CarbonylContact O-C 3.47Å; D660-Y678 VanDerWaalsContact O-CA 3.28Å; D660-Y678 WeakPolarHBondContact O-CA 3.43Å; D660-R679 HydrophobicContact CB-CG 3.85Å; D660-R679 PolarHBondContact O-N 3.5Å; D660-R679 IonicContact OD1-CZ 3.91Å; D660-R679 IonicContact OD1-NE 3.79Å; D660-R679 PolarHBondContact OD1-NE 2.89Å; D660-R679 IonicContact OD1-NH2 3.94Å |
| 661 | I | 93.6 | Very high | 84 | Confident | 7 Ų | 7 | 65 Ų | 65 | 4% | 0.036 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 128.4 | -178.4 | -61.3 | 171.2 | 0 | 0 | 0 | 108.3 | W617 L645 L649 W663 I675 | W617-I661 HydrophobicContact CD2-CD1 3.68Å; W617-I661 HydrophobicContact CD2-CG1 4.1Å; W617-I661 HydrophobicContact CE3-CD1 3.94Å; W617-I661 HydrophobicContact CG-CD1 4.06Å; W617-I661 HydrophobicContact CG-CG1 4.18Å; W617-I661 HydrophobicContact CH2-CD1 4.37Å; W617-I661 HydrophobicContact CZ2-CD1 4.16Å; W617-I661 HydrophobicContact CZ2-CG1 4.36Å; W617-I661 HydrophobicContact CZ3-CD1 4.28Å; L645-I661 HydrophobicContact CD1-CD1 4.36Å; L645-I661 HydrophobicContact CD2-CD1 4.37Å; L649-I661 HydrophobicContact CD1-CD1 3.82Å; L649-I661 HydrophobicContact CD2-CD1 4.04Å; I661-W663 HydrophobicContact CG2-CD2 4.12Å; I661-W663 HydrophobicContact CG2-CH2 4.48Å; I661-W663 HydrophobicContact CG2-CZ2 3.92Å; I661-I675 HydrophobicContact CG2-CB 4.5Å; I661-I675 HydrophobicContact CG2-CG1 3.89Å; I661-I675 HydrophobicContact CG2-CG2 4.1Å |
| 662 | F | 92.2 | Very high | 83.5 | Confident | 77 Ų | 77 | 65.7 Ų | 65.7 | 34% | 0.338 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 120.6 | 170.7 | -179 | -94.6 | 0 | 0 | 0 | 108.8 | K77 W78 G676 A677 | K77-F662 HydrophobicContact CB-CD2 4.15Å; K77-F662 HydrophobicContact CG-CD2 4.47Å; K77-F662 WeakPolarHBondContact O-CD2 3.46Å; W78-F662 HydrophobicContact CH2-CB 4.49Å; W78-F662 HydrophobicContact CZ2-CB 3.82Å; F662-G676 PolarHBondContact O-N 3.5Å; F662-A677 HydrophobicContact CB-CB 4.04Å; F662-A677 HydrophobicContact CD1-CB 4.5Å; F662-A677 PolarHBondContact N-O 3.17Å; F662-A677 PolarHBondContact O-N 3.35Å |
| 663 | W | 91.2 | Very high | 83.6 | Confident | 66 Ų | 66 | 64.2 Ų | 64.2 | 25% | 0.25 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 127.9 | -179.5 | -61.8 | 98 | 0 | 0 | 0 | 110.2 | Y642 L645 R646 L649 I661 R674 I675 | Y642-W663 HydrophobicContact CD1-CH2 4.16Å; Y642-W663 AromaticContact CD1-CZ3 3.76Å; Y642-W663 HydrophobicContact CD1-CZ3 3.76Å; Y642-W663 HydrophobicContact CE1-CZ3 4.02Å; L645-W663 HydrophobicContact CD2-CH2 3.89Å; L645-W663 HydrophobicContact CD2-CZ2 4.5Å; L645-W663 HydrophobicContact CG-CH2 4.35Å; R646-W663 HydrophobicContact CG-CH2 4.48Å; L649-W663 HydrophobicContact CD1-CZ2 3.71Å; I661-W663 HydrophobicContact CG2-CD2 4.12Å; I661-W663 HydrophobicContact CG2-CH2 4.48Å; I661-W663 HydrophobicContact CG2-CZ2 3.92Å; W663-R674 WeakPolarHBondContact CA-O 3.18Å; W663-I675 HydrophobicContact CE3-CG1 4.47Å; W663-I675 HydrophobicContact CH2-CG1 4.37Å; W663-I675 HydrophobicContact CZ3-CG1 4.05Å |
| 664 | E | 87.2 | Confident | 84 | Confident | 75 Ų | 75 | 68 Ų | 68 | 35% | 0.35 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 118.1 | 171.8 | -173.4 | -175.6 | -174.9 | 0 | 0 | 108.3 | S673 R674 | E664-S673 WeakPolarHBondContact O-CA 3.24Å; E664-R674 HydrophobicContact CB-CG 4.18Å; E664-R674 VanDerWaalsContact CD-NH2 3.26Å; E664-R674 PolarHBondContact N-O 3.2Å; E664-R674 PolarHBondContact O-N 2.98Å; E664-R674 IonicContact OE1-CZ 3.59Å; E664-R674 IonicContact OE1-NH2 3.87Å; E664-R674 PolarHBondContact OE1-NH2 2.97Å; E664-R674 IonicContact OE2-CZ 2.63Å; E664-R674 VanDerWaalsContact OE2-CZ 3.25Å; E664-R674 IonicContact OE2-NE 3.8Å; E664-R674 PolarHBondContact OE2-NE 3.39Å; E664-R674 IonicContact OE2-NH2 2.76Å; E664-R674 PolarHBondContact OE2-NH2 3.39Å |
| 665 | E | 83.6 | Confident | 84.2 | Confident | 144 Ų | 144 | 68.6 Ų | 68.6 | 67% | 0.673 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 130.1 | 177.3 | -66.2 | -179.7 | -174.6 | 0 | 0 | 110.3 | P667 | E665-P667 WeakPolarHBondContact O-CD 3.28Å |
| 666 | N | 78.4 | Confident | 84.6 | Confident | 43 Ų | 43 | 68.1 Ų | 68.1 | 23% | 0.23 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 120.1 | 171.6 | -83.3 | -39.5 | 0 | 0 | 0 | 109 | S668 H669 D672 | N666-S668 PolarHBondContact O-N 2.98Å; N666-S668 VanDerWaalsContact O-N 3.08Å; N666-H669 CarbonylContact O-C 3.58Å; N666-H669 PolarHBondContact O-N 2.92Å; N666-D672 PolarHBondContact ND2-O 3.25Å |
| 667 | P | 77.9 | Confident | 85 | Confident | 129 Ų | 129 | 66.5 Ų | 66.5 | 84% | 0.838 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -23.7 | -177.3 | 21.3 | -31.2 | 0 | 0 | 0 | 113.2 | E665 | E665-P667 WeakPolarHBondContact O-CD 3.28Š|
| 668 | S | 79.4 | Confident | 85.2 | Confident | 101 Ų | 101 | 66.4 Ų | 66.4 | 71% | 0.706 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -24.8 | 177.3 | -51.2 | 0 | 0 | 0 | 0 | 114 | N666 | N666-S668 PolarHBondContact O-N 2.98Å; N666-S668 VanDerWaalsContact O-N 3.08Å |
| 669 | H | 76.6 | Confident | 85.4 | Confident | 129 Ų | 129 | 61.2 Ų | 61.2 | 60% | 0.597 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148 | 89.7 | -177.3 | -72.2 | -58 | 0 | 0 | 0 | 109.7 | N666 D671 D672 | N666-H669 CarbonylContact O-C 3.58Å; N666-H669 PolarHBondContact O-N 2.92Å; H669-D671 PolarHBondContact O-N 3.33Å; H669-D672 HydrophobicContact CB-CB 4.08Å; H669-D672 PolarHBondContact O-N 3.04Å; H669-D672 VanDerWaalsContact O-N 3.07Å |
| 670 | P | 70.8 | Confident | 85.7 | Confident | 82 Ų | 82 | 59.6 Ų | 59.6 | 53% | 0.532 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | -35.5 | -176.9 | -17.2 | 24.3 | 0 | 0 | 0 | 113.1 | D672 S673 | P670-D672 PolarHBondContact O-N 2.93Å; P670-S673 PolarHBondContact O-OG 3.4Å |
| 671 | D | 71.2 | Confident | 85.8 | Confident | 144 Ų | 144 | 59.8 Ų | 59.8 | 77% | 0.77 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.6 | -24.7 | -179.4 | -61.7 | -34.6 | 0 | 0 | 0 | 113.1 | R646 H669 S673 | R646-D671 PolarHBondContact NH2-O 3.3Å; H669-D671 PolarHBondContact O-N 3.33Å; D671-S673 VanDerWaalsContact C-N 3.27Å; D671-S673 PolarHBondContact O-N 3.45Å |
| 672 | D | 77.2 | Confident | 85.8 | Confident | 85 Ų | 85 | 59.6 Ų | 59.6 | 46% | 0.455 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 51.3 | 178 | -166.7 | 28.1 | 0 | 0 | 0 | 111 | N666 H669 P670 | N666-D672 PolarHBondContact ND2-O 3.25Å; H669-D672 HydrophobicContact CB-CB 4.08Å; H669-D672 PolarHBondContact O-N 3.04Å; H669-D672 VanDerWaalsContact O-N 3.07Å; P670-D672 PolarHBondContact O-N 2.93Å |
| 673 | S | 81.8 | Confident | 85.9 | Confident | 19 Ų | 19 | 56 Ų | 56 | 13% | 0.133 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 128.3 | 174.1 | -3.1 | 0 | 0 | 0 | 0 | 110 | R646 E664 P670 D671 | R646-S673 PolarHBondContact NH2-OG 2.98Å; E664-S673 WeakPolarHBondContact O-CA 3.24Å; P670-S673 PolarHBondContact O-OG 3.4Å; D671-S673 VanDerWaalsContact C-N 3.27Å; D671-S673 PolarHBondContact O-N 3.45Å |
| 674 | R | 87.3 | Confident | 86 | Confident | 109 Ų | 109 | 52.8 Ų | 52.8 | 41% | 0.411 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 167.5 | -178.9 | 66.7 | -178.8 | -174.9 | -164.8 | -4.7 | 111.2 | W663 E664 G676 | W663-R674 WeakPolarHBondContact CA-O 3.18Å; E664-R674 HydrophobicContact CB-CG 4.18Å; E664-R674 VanDerWaalsContact CD-NH2 3.26Å; E664-R674 PolarHBondContact N-O 3.2Å; E664-R674 PolarHBondContact O-N 2.98Å; E664-R674 IonicContact OE1-CZ 3.59Å; E664-R674 IonicContact OE1-NH2 3.87Å; E664-R674 PolarHBondContact OE1-NH2 2.97Å; E664-R674 IonicContact OE2-CZ 2.63Å; E664-R674 VanDerWaalsContact OE2-CZ 3.25Å; E664-R674 IonicContact OE2-NE 3.8Å; E664-R674 PolarHBondContact OE2-NE 3.39Å; E664-R674 IonicContact OE2-NH2 2.76Å; E664-R674 PolarHBondContact OE2-NH2 3.39Å; R674-G676 PolarHBondContact O-N 3.47Å; R674-G676 VanDerWaalsContact O-N 3.13Å |
| 675 | I | 91.5 | Very high | 86.2 | Confident | 16 Ų | 16 | 55.2 Ų | 55.2 | 8% | 0.082 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 107 | 172.8 | -63.1 | 157.2 | 0 | 0 | 0 | 108.4 | P583 V586 W617 F641 Y642 L645 I661 W663 Y678 | P583-I675 HydrophobicContact CG-CG2 3.99Å; P583-I675 WeakPolarHBondContact CG-O 3.27Å; V586-I675 HydrophobicContact CG2-CD1 3.77Å; W617-I675 HydrophobicContact CH2-CD1 3.72Å; W617-I675 HydrophobicContact CZ2-CD1 3.97Å; F641-I675 HydrophobicContact CE1-CD1 4.48Å; Y642-I675 HydrophobicContact CE1-CD1 4.01Å; Y642-I675 HydrophobicContact CE1-CG1 4.01Å; L645-I675 HydrophobicContact CD2-CD1 3.98Å; I661-I675 HydrophobicContact CG2-CB 4.5Å; I661-I675 HydrophobicContact CG2-CG1 3.89Å; I661-I675 HydrophobicContact CG2-CG2 4.1Å; W663-I675 HydrophobicContact CE3-CG1 4.47Å; W663-I675 HydrophobicContact CH2-CG1 4.37Å; W663-I675 HydrophobicContact CZ3-CG1 4.05Å; I675-Y678 HydrophobicContact CG2-CD1 4.08Å |
| 676 | G | 90.7 | Very high | 86.5 | Confident | 12 Ų | 12 | 52.1 Ų | 52.1 | 12% | 0.124 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | -32.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | P583 F662 R674 | P583-G676 WeakPolarHBondContact CD-O 3.4Å; F662-G676 PolarHBondContact O-N 3.5Å; R674-G676 PolarHBondContact O-N 3.47Å; R674-G676 VanDerWaalsContact O-N 3.13Å |
| 677 | A | 94.1 | Very high | 87 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 157.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | K77 W78 V580 F662 | K77-A677 HydrophobicContact CD-CB 3.96Å; K77-A677 VanDerWaalsContact NZ-CB 3.32Å; W78-A677 HydrophobicContact CH2-CB 4.16Å; V580-A677 WeakPolarHBondContact O-CA 3.39Å; V580-A677 WeakPolarHBondContact O-CB 3.39Å; F662-A677 HydrophobicContact CB-CB 4.04Å; F662-A677 HydrophobicContact CD1-CB 4.5Å; F662-A677 PolarHBondContact N-O 3.17Å; F662-A677 PolarHBondContact O-N 3.35Å |
| 678 | Y | 95.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 160.8 | 168.4 | 64.8 | -105.6 | 0 | 0 | 0 | 110.8 | V580 P583 M598 F616 W617 D660 I675 F680 | V580-Y678 HydrophobicContact CB-CD2 4.17Å; V580-Y678 HydrophobicContact CB-CE1 4.36Å; V580-Y678 HydrophobicContact CB-CE2 3.83Å; V580-Y678 HydrophobicContact CG1-CE1 4.41Å; V580-Y678 HydrophobicContact CG1-CE2 4.5Å; V580-Y678 HydrophobicContact CG2-CD2 4.05Å; V580-Y678 HydrophobicContact CG2-CE2 3.44Å; V580-Y678 VanDerWaalsContact CG2-CE2 3.44Å; V580-Y678 PolarHBondContact N-O 2.92Å; V580-Y678 PolarHBondContact O-N 3.42Å; P583-Y678 HydrophobicContact CB-CD1 3.43Å; P583-Y678 VanDerWaalsContact CB-CD1 3.43Å; P583-Y678 HydrophobicContact CB-CE1 3.21Å; P583-Y678 HydrophobicContact CG-CD1 4.11Å; P583-Y678 HydrophobicContact CG-CE1 4.34Å; M598-Y678 VanDerWaalsContact CE-OH 3.25Å; M598-Y678 WeakPolarHBondContact CE-OH 3.31Å; F616-Y678 AromaticContact CE2-CD2 3.65Å; F616-Y678 HydrophobicContact CE2-CD2 3.65Å; F616-Y678 AromaticContact CE2-CE2 3.59Å; F616-Y678 HydrophobicContact CE2-CE2 3.59Å; F616-Y678 HydrophobicContact CE2-CG 4.44Å; F616-Y678 HydrophobicContact CZ-CD2 4.21Å; F616-Y678 AromaticContact CZ-CE2 3.71Å; F616-Y678 HydrophobicContact CZ-CE2 3.71Å; W617-Y678 HydrophobicContact CZ2-CD1 4.34Å; W617-Y678 HydrophobicContact CZ2-CG 4.49Å; W617-Y678 AromaticContact NE1-CD2 3.98Å; W617-Y678 AromaticContact NE1-CG 3.72Å; D660-Y678 CarbonylContact O-C 3.47Å; D660-Y678 VanDerWaalsContact O-CA 3.28Å; D660-Y678 WeakPolarHBondContact O-CA 3.43Å; I675-Y678 HydrophobicContact CG2-CD1 4.08Å; Y678-F680 HydrophobicContact CE2-CD1 4.14Å |
| 679 | R | 94.1 | Very high | 87.7 | Confident | 10 Ų | 10 | 43.6 Ų | 43.6 | 4% | 0.038 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 156.5 | 171.2 | 62.7 | 178.2 | 177.8 | -169.3 | -9.1 | 111.6 | W78 H89 Q577 V578 V579 F659 D660 Y681 | W78-R679 HydrophobicContact CH2-CB 4.25Å; W78-R679 HydrophobicContact CH2-CG 4.46Å; W78-R679 HydrophobicContact CZ2-CG 4.29Å; H89-R679 PolarHBondContact ND1-NH2 3.18Å; Q577-R679 HydrophobicContact CG-CB 4.42Å; V578-R679 CarbonylContact O-C 3.56Å; V578-R679 WeakPolarHBondContact O-CA 3.23Å; V578-R679 WeakPolarHBondContact O-CB 3.31Å; V579-R679 HydrophobicContact CG2-CB 3.91Å; F659-R679 PolarHBondContact O-NE 2.81Å; F659-R679 PolarHBondContact O-NH2 2.94Å; D660-R679 HydrophobicContact CB-CG 3.85Å; D660-R679 PolarHBondContact O-N 3.5Å; D660-R679 IonicContact OD1-CZ 3.91Å; D660-R679 IonicContact OD1-NE 3.79Å; D660-R679 PolarHBondContact OD1-NE 2.89Å; D660-R679 IonicContact OD1-NH2 3.94Å; R679-Y681 WeakPolarHBondContact CD-OH 3.45Å; R679-Y681 HydrophobicContact CG-CE2 4.27Å; R679-Y681 PolarHBondContact NE-OH 2.93Å; R679-Y681 PolarHBondContact NH1-OH 3.21Å |
| 680 | F | 94.8 | Very high | 88.1 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 0% | 0.004 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 157.2 | 168 | 65.5 | -89.8 | 0 | 0 | 0 | 109.3 | V578 V580 M598 V599 F602 V614 F616 Y678 | V578-F680 HydrophobicContact CB-CD1 4.1Å; V578-F680 HydrophobicContact CB-CD2 4.08Å; V578-F680 HydrophobicContact CB-CE1 3.69Å; V578-F680 HydrophobicContact CB-CE2 3.66Å; V578-F680 HydrophobicContact CB-CG 4.29Å; V578-F680 HydrophobicContact CB-CZ 3.46Å; V578-F680 VanDerWaalsContact CB-CZ 3.46Å; V578-F680 HydrophobicContact CG1-CD1 4.36Å; V578-F680 HydrophobicContact CG1-CE1 3.53Å; V578-F680 HydrophobicContact CG1-CE2 4.09Å; V578-F680 HydrophobicContact CG1-CZ 3.38Å; V578-F680 HydrophobicContact CG2-CD2 4.29Å; V578-F680 HydrophobicContact CG2-CE2 3.71Å; V578-F680 HydrophobicContact CG2-CZ 3.89Å; V578-F680 PolarHBondContact N-O 3.34Å; V578-F680 PolarHBondContact O-N 3.35Å; V580-F680 HydrophobicContact CG2-CD1 4.4Å; V580-F680 HydrophobicContact CG2-CE1 4.01Å; M598-F680 HydrophobicContact CE-CE1 4.49Å; V599-F680 HydrophobicContact CG1-CE2 4.39Å; V599-F680 HydrophobicContact CG2-CD1 4.14Å; V599-F680 HydrophobicContact CG2-CD2 4.29Å; V599-F680 HydrophobicContact CG2-CE1 3.9Å; V599-F680 HydrophobicContact CG2-CE2 4.06Å; V599-F680 HydrophobicContact CG2-CG 4.32Å; V599-F680 HydrophobicContact CG2-CZ 3.84Å; F602-F680 HydrophobicContact CB-CE2 4.36Å; F602-F680 HydrophobicContact CB-CZ 4.43Å; F602-F680 AromaticContact CD2-CZ 3.77Å; F602-F680 HydrophobicContact CD2-CZ 3.77Å; F602-F680 HydrophobicContact CE2-CZ 4.37Å; F602-F680 HydrophobicContact CG-CZ 4.27Å; V614-F680 HydrophobicContact CG1-CD2 4.16Å; F616-F680 HydrophobicContact CB-CB 3.95Å; F616-F680 HydrophobicContact CD2-CB 3.59Å; F616-F680 HydrophobicContact CD2-CG 4.41Å; F616-F680 HydrophobicContact CE2-CB 4.35Å; F616-F680 HydrophobicContact CG-CB 3.99Å; Y678-F680 HydrophobicContact CE2-CD1 4.14Å |
| 681 | Y | 93.7 | Very high | 88.8 | Confident | 7 Ų | 7 | 37.7 Ų | 37.7 | 3% | 0.027 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 147.4 | -178.5 | -64.3 | -96.8 | 0 | 0 | 0 | 109.9 | G88 H89 V576 Q577 V614 M615 R679 | G88-Y681 WeakPolarHBondContact O-CE1 3.34Å; H89-Y681 VanDerWaalsContact CA-OH 3.31Å; H89-Y681 WeakPolarHBondContact CA-OH 3.17Å; H89-Y681 WeakPolarHBondContact CB-OH 3.31Å; H89-Y681 AromaticContact CD2-CE2 3.7Å; H89-Y681 AromaticContact CD2-CZ 3.61Å; H89-Y681 AromaticContact CE1-CE2 3.73Å; H89-Y681 AromaticContact CG-CE2 3.95Å; H89-Y681 AromaticContact CG-CZ 3.67Å; H89-Y681 VanDerWaalsContact CG-OH 3.24Å; H89-Y681 AromaticContact ND1-CE2 3.96Å; H89-Y681 AromaticContact NE2-CE2 3.58Å; V576-Y681 WeakPolarHBondContact O-CA 3.36Å; Q577-Y681 HydrophobicContact CB-CD1 4.09Å; Q577-Y681 HydrophobicContact CB-CE1 3.74Å; Q577-Y681 HydrophobicContact CG-CD1 4.36Å; Q577-Y681 HydrophobicContact CG-CE1 3.76Å; V614-Y681 CarbonylContact C-O 3.18Å; V614-Y681 WeakPolarHBondContact CA-O 3.49Å; M615-Y681 PolarHBondContact N-O 3.38Å; M615-Y681 PolarHBondContact O-N 3.46Å; R679-Y681 WeakPolarHBondContact CD-OH 3.45Å; R679-Y681 HydrophobicContact CG-CE2 4.27Å; R679-Y681 PolarHBondContact NE-OH 2.93Å; R679-Y681 PolarHBondContact NH1-OH 3.21Å |
| 682 | M | 93.6 | Very high | 89.6 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 146.6 | 173.7 | 62.2 | 174 | 165.6 | 0 | 0 | 111.3 | E575 V576 V578 F602 G613 V614 L700 | E575-M682 CarbonylContact C-O 3.48Å; E575-M682 WeakPolarHBondContact CA-O 3.32Å; V576-M682 HydrophobicContact CB-CE 4.2Å; V576-M682 HydrophobicContact CB-CG 4.31Å; V576-M682 HydrophobicContact CG1-CE 4Å; V576-M682 PolarHBondContact N-O 3.48Å; V576-M682 PolarHBondContact O-N 2.89Å; V578-M682 HydrophobicContact CG2-CE 3.39Å; V578-M682 HydrophobicContact CG2-CG 4.34Å; V578-M682 HydrophobicContact CG2-SD 4.26Å; F602-M682 HydrophobicContact CB-CE 4.28Å; F602-M682 HydrophobicContact CB-SD 3.78Å; F602-M682 HydrophobicContact CD1-CE 3.92Å; F602-M682 HydrophobicContact CG-CE 4.45Å; G613-M682 CarbonylContact O-C 3.48Å; G613-M682 WeakPolarHBondContact O-CA 3.27Å; V614-M682 HydrophobicContact CG2-CB 4.22Å; M682-L700 HydrophobicContact CE-CD1 3.76Å; M682-L700 HydrophobicContact CE-CD2 3.37Å; M682-L700 HydrophobicContact CE-CG 4.16Å; M682-L700 HydrophobicContact SD-CD2 4.23Å |
| 683 | G | 93.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 134.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y187 T574 M609 G613 | Y187-G683 WeakPolarHBondContact OH-CA 3.25Å; T574-G683 CarbonylContact O-C 3.53Å; T574-G683 WeakPolarHBondContact O-CA 3.47Å; M609-G683 WeakPolarHBondContact CB-O 3.32Å; M609-G683 WeakPolarHBondContact CG-O 3.36Å; M609-G683 PolarHBondContact N-O 2.94Å; G613-G683 PolarHBondContact O-N 3.01Å |
| 684 | I | 93.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 146.8 | 167.8 | 65.1 | 166.2 | 0 | 0 | 0 | 111.6 | G573 T574 V576 H607 F687 L700 | G573-I684 CarbonylContact C-O 3.59Å; G573-I684 WeakPolarHBondContact CA-O 3.27Å; T574-I684 PolarHBondContact N-O 3.39Å; T574-I684 VanDerWaalsContact O-CG1 3.31Å; T574-I684 WeakPolarHBondContact O-CG1 3.48Å; T574-I684 PolarHBondContact O-N 3.14Å; V576-I684 HydrophobicContact CB-CG2 4.37Å; V576-I684 HydrophobicContact CG2-CB 4.33Å; V576-I684 HydrophobicContact CG2-CD1 3.55Å; V576-I684 HydrophobicContact CG2-CG1 3.74Å; V576-I684 HydrophobicContact CG2-CG2 3.66Å; H607-I684 CarbonylContact O-C 3.55Å; H607-I684 WeakPolarHBondContact O-CA 3.32Å; I684-F687 HydrophobicContact CD1-CB 4Å; I684-F687 HydrophobicContact CD1-CD1 4.26Å; I684-F687 HydrophobicContact CD1-CD2 3.56Å; I684-F687 HydrophobicContact CD1-CE2 4.14Å; I684-F687 HydrophobicContact CD1-CG 3.65Å; I684-L700 HydrophobicContact CG2-CD1 4.29Å |
| 685 | R | 91.7 | Very high | 90.9 | Very high | 125 Ų | 125 | 30.2 Ų | 30.2 | 47% | 0.472 | 15% | 0.154 | S | C | . | . | trans | -124.4 | 163.4 | -179.9 | 60.5 | 178.4 | 176 | 179.7 | 1 | 111.8 | N571 H607 G608 M609 | N571-R685 WeakPolarHBondContact O-CB 3.38Å; H607-R685 PolarHBondContact ND1-O 3.09Å; H607-R685 WeakPolarHBondContact O-CG 3.34Å; H607-R685 PolarHBondContact O-N 3.27Å; G608-R685 PolarHBondContact O-NE 3.31Å; M609-R685 HydrophobicContact CG-CB 4.3Å; M609-R685 HydrophobicContact CG-CG 4.39Å | ||
| 686 | N | 90.3 | Very high | 91 | Very high | 79 Ų | 79 | 29.5 Ų | 29.5 | 42% | 0.422 | 15% | 0.15 | S | C | . | . | S | Bend | trans | 52.7 | 52.3 | -177.9 | -59.9 | -38.3 | 0 | 0 | 0 | 112.5 | N571 H607 Q692 | N571-N686 PolarHBondContact O-N 3.22Å; H607-N686 PolarHBondContact CE1-O 2.82Å; H607-N686 VanDerWaalsContact CE1-O 3.3Å; H607-N686 PolarHBondContact ND1-O 2.97Å; N686-Q692 VanDerWaalsContact O-CB 3.3Å; N686-Q692 WeakPolarHBondContact O-CB 3.44Å; N686-Q692 VanDerWaalsContact O-CD 3.29Å; N686-Q692 PolarHBondContact O-OE1 3.43Å |
| 687 | F | 89.4 | Confident | 91.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -109.5 | 27.6 | -176.4 | -173.4 | -101.8 | 0 | 0 | 0 | 112.5 | W570 I684 Q693 A696 L718 W719 V722 | W570-F687 HydrophobicContact CB-CB 4.48Å; W570-F687 HydrophobicContact CG-CD1 4.37Å; W570-F687 WeakPolarHBondContact O-CA 3.3Å; W570-F687 WeakPolarHBondContact O-CB 3.3Å; W570-F687 PolarHBondContact O-N 3.21Å; I684-F687 HydrophobicContact CD1-CB 4Å; I684-F687 HydrophobicContact CD1-CD1 4.26Å; I684-F687 HydrophobicContact CD1-CD2 3.56Å; I684-F687 HydrophobicContact CD1-CE2 4.14Å; I684-F687 HydrophobicContact CD1-CG 3.65Å; F687-Q693 HydrophobicContact CD1-CG 4.02Å; F687-Q693 HydrophobicContact CD2-CB 4.07Å; F687-Q693 HydrophobicContact CD2-CG 3.76Å; F687-Q693 HydrophobicContact CE1-CB 4.44Å; F687-Q693 HydrophobicContact CE1-CG 3.7Å; F687-Q693 HydrophobicContact CE2-CB 3.43Å; F687-Q693 VanDerWaalsContact CE2-CB 3.43Å; F687-Q693 HydrophobicContact CE2-CG 3.44Å; F687-Q693 VanDerWaalsContact CE2-CG 3.44Å; F687-Q693 HydrophobicContact CG-CG 4.02Å; F687-Q693 HydrophobicContact CZ-CB 3.63Å; F687-Q693 HydrophobicContact CZ-CG 3.38Å; F687-Q693 VanDerWaalsContact O-CG 3.32Å; F687-Q693 WeakPolarHBondContact O-CG 3.34Å; F687-Q693 PolarHBondContact O-NE2 3.08Å; F687-Q693 VanDerWaalsContact O-NE2 3.15Å; F687-A696 HydrophobicContact CD2-CB 3.76Å; F687-A696 HydrophobicContact CE2-CB 4.02Å; F687-L718 HydrophobicContact CE1-CB 4.13Å; F687-L718 HydrophobicContact CE1-CD1 3.7Å; F687-L718 HydrophobicContact CE1-CG 4.49Å; F687-L718 HydrophobicContact CZ-CB 4.24Å; F687-W719 HydrophobicContact CD2-CZ3 4.37Å; F687-W719 HydrophobicContact CE1-CZ3 4.49Å; F687-W719 HydrophobicContact CE2-CE3 4.32Å; F687-W719 AromaticContact CE2-CH2 3.86Å; F687-W719 HydrophobicContact CE2-CH2 3.86Å; F687-W719 AromaticContact CE2-CZ3 3.29Å; F687-W719 HydrophobicContact CE2-CZ3 3.29Å; F687-W719 HydrophobicContact CZ-CE3 4.08Å; F687-W719 HydrophobicContact CZ-CH2 4.38Å; F687-W719 AromaticContact CZ-CZ3 3.39Å; F687-W719 HydrophobicContact CZ-CZ3 3.39Å; F687-V722 HydrophobicContact CZ-CG2 4.32Å | ||
| 688 | T | 86.7 | Confident | 91.1 | Very high | 33 Ų | 33 | 33.8 Ų | 33.8 | 20% | 0.202 | 17% | 0.167 | C | C | . | . | trans | -83.3 | -45.3 | -170.8 | 50.6 | 0 | 0 | 0 | 0 | 115.7 | G566 W570 N571 Q692 | G566-T688 WeakPolarHBondContact O-CG2 3.33Å; W570-T688 HydrophobicContact CB-CG2 3.85Å; N571-T688 HydrophobicContact CB-CG2 4.39Å; N571-T688 WeakPolarHBondContact ND2-CG2 3.11Å; N571-T688 WeakPolarHBondContact OD1-CG2 3.14Å; T688-Q692 VanDerWaalsContact N-OE1 3.11Å; T688-Q692 PolarHBondContact OG1-OE1 2.76Å | ||
| 689 | T | 85.2 | Confident | 91.1 | Very high | 61 Ų | 61 | 35 Ų | 35 | 37% | 0.374 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -93.4 | 149 | -173 | 58 | 0 | 0 | 0 | 0 | 110.8 | V691 Q692 Q693 | T689-V691 PolarHBondContact O-N 2.87Å; T689-V691 VanDerWaalsContact O-N 3.1Å; T689-Q692 WeakPolarHBondContact O-CA 3.42Å; T689-Q692 WeakPolarHBondContact O-CB 3.45Å; T689-Q692 PolarHBondContact O-N 3.37Å; T689-Q692 WeakPolarHBondContact OG1-CB 3.42Å; T689-Q692 VanDerWaalsContact OG1-CD 3.28Å; T689-Q692 WeakPolarHBondContact OG1-CG 3.45Å; T689-Q692 PolarHBondContact OG1-N 3.4Å; T689-Q692 PolarHBondContact OG1-OE1 3.28Å; T689-Q693 VanDerWaalsContact O-CG 3.27Å; T689-Q693 WeakPolarHBondContact O-CG 3.12Å; T689-Q693 PolarHBondContact O-N 3.47Å |
| 690 | S | 83.3 | Confident | 91.1 | Very high | 14 Ų | 14 | 34.6 Ų | 34.6 | 10% | 0.098 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -48.1 | -41.9 | 176.6 | 58.2 | 0 | 0 | 0 | 0 | 113 | E544 Q693 T694 | E544-S690 WeakPolarHBondContact O-CB 3.04Å; E544-S690 PolarHBondContact O-OG 3.02Å; S690-Q693 PolarHBondContact O-N 2.78Å; S690-T694 WeakPolarHBondContact O-CB 3.35Å; S690-T694 PolarHBondContact O-N 3.45Å; S690-T694 PolarHBondContact O-OG1 2.86Å; S690-T694 VanDerWaalsContact O-OG1 3.12Å |
| 691 | V | 85.8 | Confident | 91.1 | Very high | 73 Ų | 73 | 36.3 Ų | 36.3 | 44% | 0.442 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.4 | -43.9 | 176.6 | 178.8 | 0 | 0 | 0 | 0 | 112.4 | T689 Q693 K695 | T689-V691 PolarHBondContact O-N 2.87Å; T689-V691 VanDerWaalsContact O-N 3.1Å; V691-Q693 VanDerWaalsContact C-N 3.31Å; V691-K695 HydrophobicContact CG1-CD 4.28Å; V691-K695 WeakPolarHBondContact O-CB 3.35Å; V691-K695 VanDerWaalsContact O-CG 3.31Å; V691-K695 WeakPolarHBondContact O-CG 3.27Å; V691-K695 PolarHBondContact O-N 3.32Å |
| 692 | Q | 89.3 | Confident | 91.2 | Very high | 55 Ų | 55 | 38.5 Ų | 38.5 | 26% | 0.257 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.9 | -39.2 | 175.3 | -78.8 | 169.8 | -18.1 | 0 | 0 | 111.2 | N686 T688 T689 K695 A696 | N686-Q692 VanDerWaalsContact O-CB 3.3Å; N686-Q692 WeakPolarHBondContact O-CB 3.44Å; N686-Q692 VanDerWaalsContact O-CD 3.29Å; N686-Q692 PolarHBondContact O-OE1 3.43Å; T688-Q692 VanDerWaalsContact N-OE1 3.11Å; T688-Q692 PolarHBondContact OG1-OE1 2.76Å; T689-Q692 WeakPolarHBondContact O-CA 3.42Å; T689-Q692 WeakPolarHBondContact O-CB 3.45Å; T689-Q692 PolarHBondContact O-N 3.37Å; T689-Q692 WeakPolarHBondContact OG1-CB 3.42Å; T689-Q692 VanDerWaalsContact OG1-CD 3.28Å; T689-Q692 WeakPolarHBondContact OG1-CG 3.45Å; T689-Q692 PolarHBondContact OG1-N 3.4Å; T689-Q692 PolarHBondContact OG1-OE1 3.28Å; Q692-K695 PolarHBondContact O-N 3.01Å; Q692-A696 WeakPolarHBondContact O-CB 3.31Å; Q692-A696 PolarHBondContact O-N 2.92Å |
| 693 | Q | 90.9 | Very high | 91.3 | Very high | 5 Ų | 5 | 39 Ų | 39 | 2% | 0.023 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.6 | -47.1 | 179.4 | -61.9 | 176.5 | -13.3 | 0 | 0 | 110.9 | F687 T689 S690 V691 K695 A696 V697 V722 | F687-Q693 HydrophobicContact CD1-CG 4.02Å; F687-Q693 HydrophobicContact CD2-CB 4.07Å; F687-Q693 HydrophobicContact CD2-CG 3.76Å; F687-Q693 HydrophobicContact CE1-CB 4.44Å; F687-Q693 HydrophobicContact CE1-CG 3.7Å; F687-Q693 HydrophobicContact CE2-CB 3.43Å; F687-Q693 VanDerWaalsContact CE2-CB 3.43Å; F687-Q693 HydrophobicContact CE2-CG 3.44Å; F687-Q693 VanDerWaalsContact CE2-CG 3.44Å; F687-Q693 HydrophobicContact CG-CG 4.02Å; F687-Q693 HydrophobicContact CZ-CB 3.63Å; F687-Q693 HydrophobicContact CZ-CG 3.38Å; F687-Q693 VanDerWaalsContact O-CG 3.32Å; F687-Q693 WeakPolarHBondContact O-CG 3.34Å; F687-Q693 PolarHBondContact O-NE2 3.08Å; F687-Q693 VanDerWaalsContact O-NE2 3.15Å; T689-Q693 VanDerWaalsContact O-CG 3.27Å; T689-Q693 WeakPolarHBondContact O-CG 3.12Å; T689-Q693 PolarHBondContact O-N 3.47Å; S690-Q693 PolarHBondContact O-N 2.78Å; V691-Q693 VanDerWaalsContact C-N 3.31Å; Q693-K695 VanDerWaalsContact C-N 3.33Å; Q693-K695 PolarHBondContact O-N 3.32Å; Q693-A696 WeakPolarHBondContact O-CB 3.11Å; Q693-A696 PolarHBondContact O-N 3.33Å; Q693-A696 VanDerWaalsContact O-N 3.16Å; Q693-V697 WeakPolarHBondContact O-CG2 3.42Å; Q693-V697 PolarHBondContact O-N 3.46Å; Q693-V722 HydrophobicContact CB-CG1 4.29Å; Q693-V722 HydrophobicContact CB-CG2 3.63Å |
| 694 | T | 89.9 | Confident | 91.4 | Very high | 20 Ų | 20 | 39.3 Ų | 39.3 | 12% | 0.123 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.4 | -45.5 | 173.6 | -65.6 | 0 | 0 | 0 | 0 | 111.9 | S690 V697 Q698 Q726 | S690-T694 WeakPolarHBondContact O-CB 3.35Å; S690-T694 PolarHBondContact O-N 3.45Å; S690-T694 PolarHBondContact O-OG1 2.86Å; S690-T694 VanDerWaalsContact O-OG1 3.12Å; T694-V697 PolarHBondContact O-N 3.25Å; T694-Q698 WeakPolarHBondContact O-CB 3.37Å; T694-Q698 VanDerWaalsContact O-CG 3.25Å; T694-Q698 WeakPolarHBondContact O-CG 3.34Å; T694-Q698 PolarHBondContact O-N 2.99Å; T694-Q726 HydrophobicContact CG2-CG 3.83Å |
| 695 | K | 92.3 | Very high | 91.4 | Very high | 121 Ų | 121 | 42.6 Ų | 42.6 | 53% | 0.526 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.9 | -39.1 | 177 | -74.1 | 175.2 | -178.3 | 177.8 | 0 | 112.6 | V691 Q692 Q693 S699 | V691-K695 HydrophobicContact CG1-CD 4.28Å; V691-K695 WeakPolarHBondContact O-CB 3.35Å; V691-K695 VanDerWaalsContact O-CG 3.31Å; V691-K695 WeakPolarHBondContact O-CG 3.27Å; V691-K695 PolarHBondContact O-N 3.32Å; Q692-K695 PolarHBondContact O-N 3.01Å; Q693-K695 VanDerWaalsContact C-N 3.33Å; Q693-K695 PolarHBondContact O-N 3.32Å; K695-S699 VanDerWaalsContact O-CB 3.27Å; K695-S699 WeakPolarHBondContact O-CB 3.22Å; K695-S699 PolarHBondContact O-N 3.36Å; K695-S699 PolarHBondContact O-OG 3.25Å |
| 696 | A | 93.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.9 | -52.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | H607 F687 Q692 Q693 Q698 S699 L700 W719 | H607-A696 HydrophobicContact CB-CB 4.08Å; F687-A696 HydrophobicContact CD2-CB 3.76Å; F687-A696 HydrophobicContact CE2-CB 4.02Å; Q692-A696 WeakPolarHBondContact O-CB 3.31Å; Q692-A696 PolarHBondContact O-N 2.92Å; Q693-A696 WeakPolarHBondContact O-CB 3.11Å; Q693-A696 PolarHBondContact O-N 3.33Å; Q693-A696 VanDerWaalsContact O-N 3.16Å; A696-Q698 PolarHBondContact O-N 2.9Å; A696-S699 PolarHBondContact O-N 3.38Å; A696-S699 PolarHBondContact O-OG 3.27Å; A696-L700 VanDerWaalsContact O-CG 3.32Å; A696-L700 WeakPolarHBondContact O-CG 3.42Å; A696-L700 PolarHBondContact O-N 3.21Å; A696-W719 HydrophobicContact CB-CH2 4.29Å |
| 697 | V | 93.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -54.1 | -52 | 175.5 | 178.3 | 0 | 0 | 0 | 0 | 111.5 | Q693 T694 S699 L700 R701 W719 V722 | Q693-V697 WeakPolarHBondContact O-CG2 3.42Å; Q693-V697 PolarHBondContact O-N 3.46Å; T694-V697 PolarHBondContact O-N 3.25Å; V697-S699 VanDerWaalsContact C-N 3.32Å; V697-S699 PolarHBondContact O-N 3.32Å; V697-L700 PolarHBondContact O-N 3.02Å; V697-R701 HydrophobicContact CG1-CG 4.31Å; V697-R701 VanDerWaalsContact CG1-NH1 3.32Å; V697-R701 WeakPolarHBondContact O-CB 3.09Å; V697-R701 WeakPolarHBondContact O-CG 3.42Å; V697-R701 PolarHBondContact O-N 3.39Å; V697-W719 HydrophobicContact CB-CH2 4.31Å; V697-W719 HydrophobicContact CB-CZ2 3.94Å; V697-W719 HydrophobicContact CG1-CZ2 4.4Å; V697-W719 HydrophobicContact CG2-CD2 3.48Å; V697-W719 VanDerWaalsContact CG2-CD2 3.48Å; V697-W719 VanDerWaalsContact CG2-CE2 3.44Å; V697-W719 HydrophobicContact CG2-CE3 3.53Å; V697-W719 HydrophobicContact CG2-CG 4.22Å; V697-W719 HydrophobicContact CG2-CH2 3.51Å; V697-W719 HydrophobicContact CG2-CZ2 3.43Å; V697-W719 VanDerWaalsContact CG2-CZ2 3.43Å; V697-W719 HydrophobicContact CG2-CZ3 3.59Å; V697-V722 HydrophobicContact CB-CG1 4.21Å; V697-V722 HydrophobicContact CG2-CB 3.8Å; V697-V722 HydrophobicContact CG2-CG1 3.43Å; V697-V722 VanDerWaalsContact CG2-CG1 3.43Å; V697-V722 HydrophobicContact CG2-CG2 4.22Å |
| 698 | Q | 93.2 | Very high | 91.8 | Very high | 102 Ų | 102 | 47.5 Ų | 47.5 | 48% | 0.477 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.4 | -41.8 | -178.7 | -73.6 | 173.6 | -6.1 | 0 | 0 | 111.7 | T694 A696 A702 | T694-Q698 WeakPolarHBondContact O-CB 3.37Å; T694-Q698 VanDerWaalsContact O-CG 3.25Å; T694-Q698 WeakPolarHBondContact O-CG 3.34Å; T694-Q698 PolarHBondContact O-N 2.99Å; A696-Q698 PolarHBondContact O-N 2.9Å; Q698-A702 WeakPolarHBondContact O-CB 3.14Å; Q698-A702 PolarHBondContact O-N 3.15Å |
| 699 | S | 94.7 | Very high | 92.1 | Very high | 27 Ų | 27 | 51.3 Ų | 51.3 | 19% | 0.189 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 178.5 | 76.2 | 0 | 0 | 0 | 0 | 112 | K695 A696 V697 A702 V703 | K695-S699 VanDerWaalsContact O-CB 3.27Å; K695-S699 WeakPolarHBondContact O-CB 3.22Å; K695-S699 PolarHBondContact O-N 3.36Å; K695-S699 PolarHBondContact O-OG 3.25Å; A696-S699 PolarHBondContact O-N 3.38Å; A696-S699 PolarHBondContact O-OG 3.27Å; V697-S699 VanDerWaalsContact C-N 3.32Å; V697-S699 PolarHBondContact O-N 3.32Å; S699-A702 PolarHBondContact O-N 3.22Å; S699-V703 WeakPolarHBondContact O-CG2 3.38Å; S699-V703 PolarHBondContact O-N 3.1Å |
| 700 | L | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -72 | -42.9 | -178.5 | -67.6 | 179.5 | 0 | 0 | 0 | 111.6 | V576 F602 S605 M682 I684 A696 V697 A702 V703 A704 T714 W719 | V576-L700 HydrophobicContact CG1-CD1 4.18Å; V576-L700 HydrophobicContact CG2-CD1 4.48Å; F602-L700 HydrophobicContact CD1-CD2 3.98Å; F602-L700 WeakPolarHBondContact CE1-O 3.46Å; S605-L700 WeakPolarHBondContact OG-CD2 3.31Å; M682-L700 HydrophobicContact CE-CD1 3.76Å; M682-L700 HydrophobicContact CE-CD2 3.37Å; M682-L700 HydrophobicContact CE-CG 4.16Å; M682-L700 HydrophobicContact SD-CD2 4.23Å; I684-L700 HydrophobicContact CG2-CD1 4.29Å; A696-L700 VanDerWaalsContact O-CG 3.32Å; A696-L700 WeakPolarHBondContact O-CG 3.42Å; A696-L700 PolarHBondContact O-N 3.21Å; V697-L700 PolarHBondContact O-N 3.02Å; L700-A702 VanDerWaalsContact C-N 3.32Å; L700-A702 PolarHBondContact O-N 3.03Å; L700-V703 PolarHBondContact O-N 3.47Å; L700-A704 PolarHBondContact O-N 3.02Å; L700-T714 HydrophobicContact CB-CG2 4.34Å; L700-W719 HydrophobicContact CD1-CH2 4.24Å; L700-W719 HydrophobicContact CD1-CZ2 3.9Å |
| 701 | R | 94.5 | Very high | 92.9 | Very high | 38 Ų | 38 | 52.8 Ų | 52.8 | 14% | 0.143 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.6 | -35.2 | 172.7 | -71.6 | -177.1 | 175.6 | 152.8 | 1.1 | 112.2 | E70 V697 V703 A704 A705 D723 | E70-R701 IonicContact OE1-CZ 2.76Å; E70-R701 IonicContact OE1-NE 3.42Å; E70-R701 PolarHBondContact OE1-NE 3.05Å; E70-R701 VanDerWaalsContact OE1-NE 3.16Å; E70-R701 IonicContact OE1-NH2 3.82Å; E70-R701 IonicContact OE2-CZ 3.8Å; E70-R701 IonicContact OE2-NE 2.98Å; E70-R701 IonicContact OE2-NH2 3.44Å; E70-R701 PolarHBondContact OE2-NH2 2.84Å; V697-R701 HydrophobicContact CG1-CG 4.31Å; V697-R701 VanDerWaalsContact CG1-NH1 3.32Å; V697-R701 WeakPolarHBondContact O-CB 3.09Å; V697-R701 WeakPolarHBondContact O-CG 3.42Å; V697-R701 PolarHBondContact O-N 3.39Å; R701-V703 VanDerWaalsContact C-N 3.34Å; R701-A704 WeakPolarHBondContact O-CB 3.35Å; R701-A704 PolarHBondContact O-N 3.33Å; R701-A705 WeakPolarHBondContact O-CB 3.34Å; R701-A705 PolarHBondContact O-N 2.89Å; R701-D723 IonicContact CZ-OD1 2.75Å; R701-D723 VanDerWaalsContact CZ-OD1 3.27Å; R701-D723 IonicContact CZ-OD2 3.44Å; R701-D723 IonicContact NH1-OD1 3.01Å; R701-D723 PolarHBondContact NH1-OD1 3.15Å; R701-D723 IonicContact NH1-OD2 3.49Å; R701-D723 IonicContact NH2-OD1 2.5Å; R701-D723 PolarHBondContact NH2-OD1 3.22Å; R701-D723 IonicContact NH2-OD2 2.9Å; R701-D723 PolarHBondContact NH2-OD2 3.47Å; R701-D723 VanDerWaalsContact NH2-OD2 3.08Å |
| 702 | A | 95.1 | Very high | 93.4 | Very high | 53 Ų | 53 | 50 Ų | 50 | 44% | 0.438 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.1 | -35.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q698 S699 L700 R706 | Q698-A702 WeakPolarHBondContact O-CB 3.14Å; Q698-A702 PolarHBondContact O-N 3.15Å; S699-A702 PolarHBondContact O-N 3.22Å; L700-A702 VanDerWaalsContact C-N 3.32Å; L700-A702 PolarHBondContact O-N 3.03Å; A702-R706 PolarHBondContact O-N 2.95Å |
| 703 | V | 95.5 | Very high | 93.6 | Very high | 11 Ų | 11 | 47.7 Ų | 47.7 | 7% | 0.067 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.7 | -45.3 | 171.3 | 175.2 | 0 | 0 | 0 | 0 | 110.4 | A601 F602 S699 L700 R701 A705 R706 F707 | A601-V703 HydrophobicContact CB-CG1 3.82Å; F602-V703 HydrophobicContact CD1-CB 4.07Å; F602-V703 HydrophobicContact CD1-CG1 3.73Å; F602-V703 HydrophobicContact CD2-CG1 3.88Å; F602-V703 HydrophobicContact CE1-CB 3.91Å; F602-V703 HydrophobicContact CE1-CG1 3.77Å; F602-V703 HydrophobicContact CE2-CG1 3.9Å; F602-V703 HydrophobicContact CG-CG1 3.81Å; F602-V703 HydrophobicContact CZ-CB 4.31Å; F602-V703 HydrophobicContact CZ-CG1 3.86Å; S699-V703 WeakPolarHBondContact O-CG2 3.38Å; S699-V703 PolarHBondContact O-N 3.1Å; L700-V703 PolarHBondContact O-N 3.47Å; R701-V703 VanDerWaalsContact C-N 3.34Å; V703-A705 VanDerWaalsContact C-N 3.28Å; V703-A705 PolarHBondContact O-N 3.06Å; V703-R706 WeakPolarHBondContact O-CB 3.33Å; V703-R706 PolarHBondContact O-N 3.36Å; V703-R706 VanDerWaalsContact O-N 3.09Å; V703-F707 HydrophobicContact CG1-CE2 4.36Å; V703-F707 WeakPolarHBondContact O-CD2 3.45Å |
| 704 | A | 94.7 | Very high | 93.7 | Very high | 9 Ų | 9 | 47.5 Ų | 47.5 | 7% | 0.074 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.6 | -41.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | F602 L700 R701 R706 F707 V712 | F602-A704 HydrophobicContact CE1-CB 4.35Å; F602-A704 HydrophobicContact CZ-CB 3.89Å; L700-A704 PolarHBondContact O-N 3.02Å; R701-A704 WeakPolarHBondContact O-CB 3.35Å; R701-A704 PolarHBondContact O-N 3.33Å; A704-R706 VanDerWaalsContact C-N 3.28Å; A704-R706 PolarHBondContact O-N 3.01Å; A704-F707 CarbonylContact O-C 3.56Å; A704-F707 PolarHBondContact O-N 3.35Å; A704-V712 HydrophobicContact CB-CB 4.11Å; A704-V712 HydrophobicContact CB-CG1 4.27Å |
| 705 | A | 94.4 | Very high | 93.9 | Very high | 69 Ų | 69 | 46.7 Ų | 46.7 | 57% | 0.57 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -63.4 | -27.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R701 V703 F707 S708 | R701-A705 WeakPolarHBondContact O-CB 3.34Å; R701-A705 PolarHBondContact O-N 2.89Å; V703-A705 VanDerWaalsContact C-N 3.28Å; V703-A705 PolarHBondContact O-N 3.06Å; A705-F707 PolarHBondContact O-N 3.34Å; A705-S708 PolarHBondContact O-N 2.77Å |
| 706 | R | 94.8 | Very high | 93.8 | Very high | 192 Ų | 192 | 41.8 Ų | 41.8 | 73% | 0.725 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -66.8 | -25.7 | 173.6 | -65.8 | 174.6 | -176.6 | -176 | 0.4 | 112.4 | A702 V703 A704 | A702-R706 PolarHBondContact O-N 2.95Å; V703-R706 WeakPolarHBondContact O-CB 3.33Å; V703-R706 PolarHBondContact O-N 3.36Å; V703-R706 VanDerWaalsContact O-N 3.09Å; A704-R706 VanDerWaalsContact C-N 3.28Å; A704-R706 PolarHBondContact O-N 3.01Å |
| 707 | F | 94.5 | Very high | 93.5 | Very high | 21 Ų | 21 | 44.5 Ų | 44.5 | 9% | 0.092 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 37.3 | 179.9 | -62.2 | -78.3 | 0 | 0 | 0 | 111.4 | E597 M598 A601 V703 A704 A705 Q709 Y710 V712 | E597-F707 HydrophobicContact CG-CZ 4.4Å; M598-F707 HydrophobicContact CB-CD1 4.16Å; M598-F707 HydrophobicContact CB-CD2 4.26Å; M598-F707 HydrophobicContact CB-CE1 4Å; M598-F707 HydrophobicContact CB-CE2 4.11Å; M598-F707 HydrophobicContact CB-CG 4.29Å; M598-F707 HydrophobicContact CB-CZ 3.98Å; M598-F707 HydrophobicContact CG-CD1 4.38Å; M598-F707 HydrophobicContact CG-CD2 3.91Å; M598-F707 HydrophobicContact CG-CE2 4.16Å; M598-F707 HydrophobicContact CG-CG 4.04Å; M598-F707 HydrophobicContact SD-CB 4.26Å; M598-F707 HydrophobicContact SD-CG 4.29Å; A601-F707 HydrophobicContact CB-CE2 3.89Å; A601-F707 HydrophobicContact CB-CZ 4.3Å; V703-F707 HydrophobicContact CG1-CE2 4.36Å; V703-F707 WeakPolarHBondContact O-CD2 3.45Å; A704-F707 CarbonylContact O-C 3.56Å; A704-F707 PolarHBondContact O-N 3.35Å; A705-F707 PolarHBondContact O-N 3.34Å; F707-Q709 PolarHBondContact O-N 3.18Å; F707-Q709 VanDerWaalsContact O-N 3.09Å; F707-Y710 HydrophobicContact CB-CD2 4.13Å; F707-Y710 HydrophobicContact CD1-CD2 4.31Å; F707-Y710 HydrophobicContact CD1-CE2 4.32Å; F707-Y710 PolarHBondContact O-N 3.03Å; F707-V712 HydrophobicContact CB-CG2 4.07Å |
| 708 | S | 90.8 | Very high | 93.3 | Very high | 93 Ų | 93 | 45.3 Ų | 45.3 | 65% | 0.65 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -54.7 | -30.3 | -177.2 | 58.7 | 0 | 0 | 0 | 0 | 114.1 | A705 Y710 N711 | A705-S708 PolarHBondContact O-N 2.77Å; S708-Y710 PolarHBondContact O-N 3.46Å; S708-Y710 VanDerWaalsContact O-N 3.15Å; S708-N711 PolarHBondContact O-N 3.29Å |
| 709 | Q | 92.7 | Very high | 93.2 | Very high | 114 Ų | 114 | 40.4 Ų | 40.4 | 53% | 0.533 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -57 | -25.2 | 174.5 | 68.3 | -165.3 | 1.4 | 0 | 0 | 114.2 | N582 F707 | N582-Q709 PolarHBondContact ND2-O 2.85Å; N582-Q709 VanDerWaalsContact ND2-O 3.15Å; F707-Q709 PolarHBondContact O-N 3.18Å; F707-Q709 VanDerWaalsContact O-N 3.09Å |
| 710 | Y | 93.5 | Very high | 92.9 | Very high | 19 Ų | 19 | 39.6 Ų | 39.6 | 8% | 0.075 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -101.9 | 1.8 | -179.4 | -55.9 | -48.5 | 0 | 0 | 0 | 113.7 | N581 N582 P584 K594 M598 F707 S708 V712 | N581-Y710 PolarHBondContact N-O 3.4Å; N582-Y710 PolarHBondContact N-O 2.8Å; N582-Y710 VanDerWaalsContact O-CA 3.23Å; N582-Y710 WeakPolarHBondContact O-CA 3.3Å; N582-Y710 WeakPolarHBondContact O-CB 3.21Å; N582-Y710 WeakPolarHBondContact O-CD1 3.3Å; P584-Y710 HydrophobicContact CB-CE1 3.74Å; P584-Y710 HydrophobicContact CG-CE1 4.14Å; P584-Y710 HydrophobicContact CG-CE2 4.45Å; K594-Y710 WeakPolarHBondContact CD-OH 3.46Å; M598-Y710 HydrophobicContact SD-CD2 4.28Å; F707-Y710 HydrophobicContact CB-CD2 4.13Å; F707-Y710 HydrophobicContact CD1-CD2 4.31Å; F707-Y710 HydrophobicContact CD1-CE2 4.32Å; F707-Y710 PolarHBondContact O-N 3.03Å; S708-Y710 PolarHBondContact O-N 3.46Å; S708-Y710 VanDerWaalsContact O-N 3.15Å; Y710-V712 PolarHBondContact O-N 3.45Å |
| 711 | N | 93.2 | Very high | 92.5 | Very high | 86 Ų | 86 | 40.7 Ų | 40.7 | 46% | 0.46 | 22% | 0.222 | S | C | . | . | trans | 46.1 | 59.5 | -178 | -172.4 | 21.1 | 0 | 0 | 0 | 112 | N581 S708 | N581-N711 HydrophobicContact CB-CB 4.1Å; N581-N711 VanDerWaalsContact CB-O 3.27Å; N581-N711 WeakPolarHBondContact CB-O 3.39Å; N581-N711 PolarHBondContact N-O 2.96Å; N581-N711 PolarHBondContact ND2-O 3.05Å; S708-N711 PolarHBondContact O-N 3.29Å | ||
| 712 | V | 94.7 | Very high | 92.3 | Very high | 14 Ų | 14 | 38.9 Ų | 38.9 | 9% | 0.085 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 132.1 | -175.6 | -172.3 | 0 | 0 | 0 | 0 | 110.2 | V578 V579 M598 F602 A704 F707 Y710 | V578-V712 HydrophobicContact CG1-CG1 3.58Å; V579-V712 CarbonylContact O-C 3.59Å; V579-V712 VanDerWaalsContact O-CA 3.31Å; V579-V712 WeakPolarHBondContact O-CA 3.43Å; M598-V712 HydrophobicContact SD-CG2 3.59Å; M598-V712 VanDerWaalsContact SD-CG2 3.59Å; F602-V712 HydrophobicContact CE2-CG1 3.84Å; F602-V712 HydrophobicContact CZ-CG1 3.64Å; A704-V712 HydrophobicContact CB-CB 4.11Å; A704-V712 HydrophobicContact CB-CG1 4.27Å; F707-V712 HydrophobicContact CB-CG2 4.07Å; Y710-V712 PolarHBondContact O-N 3.45Å |
| 713 | T | 93.4 | Very high | 92 | Very high | 8 Ų | 8 | 36.7 Ų | 36.7 | 5% | 0.049 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 151 | 173.6 | 54.4 | 0 | 0 | 0 | 0 | 110.4 | E70 V579 N581 | E70-T713 HydrophobicContact CG-CG2 4.27Å; V579-T713 PolarHBondContact N-O 3.32Å; V579-T713 PolarHBondContact O-N 3.41Å; N581-T713 PolarHBondContact ND2-OG1 3Å |
| 714 | T | 93.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 137.8 | 178 | 60.2 | 0 | 0 | 0 | 0 | 109.1 | E70 Q577 V578 F602 L700 | E70-T714 VanDerWaalsContact CD-O 3.24Å; Q577-T714 CarbonylContact O-C 3.37Å; Q577-T714 WeakPolarHBondContact O-CA 3.31Å; V578-T714 HydrophobicContact CG1-CG2 4.17Å; V578-T714 HydrophobicContact CG2-CG2 4.18Å; F602-T714 HydrophobicContact CE1-CG2 3.66Å; F602-T714 HydrophobicContact CZ-CG2 4.17Å; L700-T714 HydrophobicContact CB-CG2 4.34Å |
| 715 | F | 93.2 | Very high | 91.1 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 1% | 0.013 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 140.9 | -178.4 | -171.7 | -95.1 | 0 | 0 | 0 | 112.6 | E70 R71 I74 I91 Q577 P717 | E70-F715 HydrophobicContact CB-CD2 4.19Å; R71-F715 HydrophobicContact CB-CD2 4.14Å; R71-F715 HydrophobicContact CB-CE2 3.59Å; R71-F715 HydrophobicContact CB-CZ 3.95Å; R71-F715 HydrophobicContact CG-CE1 4.44Å; R71-F715 HydrophobicContact CG-CE2 3.99Å; R71-F715 HydrophobicContact CG-CZ 3.8Å; I74-F715 HydrophobicContact CD1-CB 3.51Å; I74-F715 HydrophobicContact CD1-CD1 4.36Å; I74-F715 HydrophobicContact CD1-CG 4.02Å; I91-F715 HydrophobicContact CB-CD1 4.5Å; I91-F715 HydrophobicContact CB-CE1 4.24Å; I91-F715 HydrophobicContact CG2-CD1 3.51Å; I91-F715 HydrophobicContact CG2-CE1 3.2Å; I91-F715 HydrophobicContact CG2-CG 4.37Å; I91-F715 HydrophobicContact CG2-CZ 3.85Å; Q577-F715 PolarHBondContact N-O 3.28Å; Q577-F715 PolarHBondContact O-N 2.87Å; F715-P717 HydrophobicContact CE1-CG 4.41Å |
| 716 | H | 91.8 | Very high | 90.6 | Very high | 18 Ų | 18 | 35.4 Ų | 35.4 | 8% | 0.083 | 18% | 0.176 | C | C | . | . | trans | -145 | 141.8 | 167.5 | 175.4 | -71.9 | 0 | 0 | 0 | 106.8 | T574 E575 V576 L718 W719 | T574-H716 WeakPolarHBondContact CG2-NE2 3.22Å; E575-H716 PolarHBondContact O-CD2 3.5Å; E575-H716 VanDerWaalsContact O-CD2 3.28Å; V576-H716 HydrophobicContact CG2-CB 4.27Å; H716-L718 VanDerWaalsContact C-N 3.26Å; H716-L718 VanDerWaalsContact CE1-CD1 3.4Å; H716-L718 WeakPolarHBondContact CE1-CD1 3.21Å; H716-L718 WeakPolarHBondContact ND1-CB 3.36Å; H716-L718 PolarHBondContact ND1-N 3.28Å; H716-L718 PolarHBondContact O-N 2.84Å; H716-L718 VanDerWaalsContact O-N 3.09Å; H716-W719 HydrophobicContact CB-CD2 4.04Å; H716-W719 HydrophobicContact CB-CE3 3.76Å; H716-W719 HydrophobicContact CB-CZ3 4.06Å; H716-W719 VanDerWaalsContact O-CB 3.23Å; H716-W719 WeakPolarHBondContact O-CB 3.28Å; H716-W719 PolarHBondContact O-N 2.92Å | ||
| 717 | P | 86.9 | Confident | 90.1 | Very high | 57 Ų | 57 | 28.3 Ų | 28.3 | 37% | 0.37 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -39.3 | -177.6 | -30.8 | 35.9 | 0 | 0 | 0 | 115.3 | F715 W719 | F715-P717 HydrophobicContact CE1-CG 4.41Å; P717-W719 VanDerWaalsContact C-N 3.26Å; P717-W719 PolarHBondContact O-N 3.43Å |
| 718 | L | 87.9 | Confident | 89.7 | Confident | 17 Ų | 17 | 27.5 Ų | 27.5 | 9% | 0.089 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -17.2 | 173.8 | -73 | 151.9 | 0 | 0 | 0 | 115.1 | P548 W570 F687 H716 L720 F721 V722 | P548-L718 HydrophobicContact CG-CD2 4.35Å; W570-L718 HydrophobicContact CH2-CD1 4.27Å; W570-L718 HydrophobicContact CH2-CD2 4.35Å; W570-L718 HydrophobicContact CZ2-CD1 3.47Å; W570-L718 VanDerWaalsContact CZ2-CD1 3.47Å; W570-L718 HydrophobicContact CZ2-CD2 4.17Å; W570-L718 HydrophobicContact CZ2-CG 4.47Å; F687-L718 HydrophobicContact CE1-CB 4.13Å; F687-L718 HydrophobicContact CE1-CD1 3.7Å; F687-L718 HydrophobicContact CE1-CG 4.49Å; F687-L718 HydrophobicContact CZ-CB 4.24Å; H716-L718 VanDerWaalsContact C-N 3.26Å; H716-L718 VanDerWaalsContact CE1-CD1 3.4Å; H716-L718 WeakPolarHBondContact CE1-CD1 3.21Å; H716-L718 WeakPolarHBondContact ND1-CB 3.36Å; H716-L718 PolarHBondContact ND1-N 3.28Å; H716-L718 PolarHBondContact O-N 2.84Å; H716-L718 VanDerWaalsContact O-N 3.09Å; L718-L720 PolarHBondContact O-N 3.49Å; L718-L720 VanDerWaalsContact O-N 3.13Å; L718-F721 HydrophobicContact CD2-CD2 4.45Å; L718-F721 PolarHBondContact O-N 2.95Å; L718-V722 WeakPolarHBondContact O-CG2 3.39Å; L718-V722 PolarHBondContact O-N 3.45Å |
| 719 | W | 91.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -56.3 | -32.4 | 179.7 | -94 | -152 | 0 | 0 | 0 | 112.3 | F687 A696 V697 L700 H716 P717 F721 V722 D723 | F687-W719 HydrophobicContact CD2-CZ3 4.37Å; F687-W719 HydrophobicContact CE1-CZ3 4.49Å; F687-W719 HydrophobicContact CE2-CE3 4.32Å; F687-W719 AromaticContact CE2-CH2 3.86Å; F687-W719 HydrophobicContact CE2-CH2 3.86Å; F687-W719 AromaticContact CE2-CZ3 3.29Å; F687-W719 HydrophobicContact CE2-CZ3 3.29Å; F687-W719 HydrophobicContact CZ-CE3 4.08Å; F687-W719 HydrophobicContact CZ-CH2 4.38Å; F687-W719 AromaticContact CZ-CZ3 3.39Å; F687-W719 HydrophobicContact CZ-CZ3 3.39Å; A696-W719 HydrophobicContact CB-CH2 4.29Å; V697-W719 HydrophobicContact CB-CH2 4.31Å; V697-W719 HydrophobicContact CB-CZ2 3.94Å; V697-W719 HydrophobicContact CG1-CZ2 4.4Å; V697-W719 HydrophobicContact CG2-CD2 3.48Å; V697-W719 VanDerWaalsContact CG2-CD2 3.48Å; V697-W719 VanDerWaalsContact CG2-CE2 3.44Å; V697-W719 HydrophobicContact CG2-CE3 3.53Å; V697-W719 HydrophobicContact CG2-CG 4.22Å; V697-W719 HydrophobicContact CG2-CH2 3.51Å; V697-W719 HydrophobicContact CG2-CZ2 3.43Å; V697-W719 VanDerWaalsContact CG2-CZ2 3.43Å; V697-W719 HydrophobicContact CG2-CZ3 3.59Å; L700-W719 HydrophobicContact CD1-CH2 4.24Å; L700-W719 HydrophobicContact CD1-CZ2 3.9Å; H716-W719 HydrophobicContact CB-CD2 4.04Å; H716-W719 HydrophobicContact CB-CE3 3.76Å; H716-W719 HydrophobicContact CB-CZ3 4.06Å; H716-W719 VanDerWaalsContact O-CB 3.23Å; H716-W719 WeakPolarHBondContact O-CB 3.28Å; H716-W719 PolarHBondContact O-N 2.92Å; P717-W719 VanDerWaalsContact C-N 3.26Å; P717-W719 PolarHBondContact O-N 3.43Å; W719-F721 VanDerWaalsContact C-N 3.28Å; W719-F721 PolarHBondContact O-N 3.24Å; W719-V722 HydrophobicContact CE3-CG2 4.44Å; W719-V722 PolarHBondContact O-N 3.42Å; W719-D723 PolarHBondContact O-N 2.77Å |
| 720 | L | 88.4 | Confident | 89.2 | Confident | 10 Ų | 10 | 24 Ų | 24 | 5% | 0.052 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.5 | -40.2 | 176.8 | -66.9 | 164.3 | 0 | 0 | 0 | 111.9 | T57 T61 S67 K68 L718 | T57-L720 HydrophobicContact CG2-CD1 3.86Å; T61-L720 HydrophobicContact CG2-CB 4.03Å; T61-L720 WeakPolarHBondContact CG2-O 3.44Å; S67-L720 WeakPolarHBondContact OG-CA 3.07Å; K68-L720 HydrophobicContact CG-CD2 3.7Å; L718-L720 PolarHBondContact O-N 3.49Å; L718-L720 VanDerWaalsContact O-N 3.13Å |
| 721 | F | 87.4 | Confident | 89 | Confident | 23 Ų | 23 | 24.3 Ų | 24.3 | 10% | 0.101 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -81.2 | -29.8 | 175.5 | -63.1 | -75.8 | 0 | 0 | 0 | 112.4 | L255 P548 L718 W719 Q724 Y725 | L255-F721 HydrophobicContact CD2-CZ 4.24Å; P548-F721 HydrophobicContact CG-CD2 4.39Å; P548-F721 HydrophobicContact CG-CG 4.47Å; L718-F721 HydrophobicContact CD2-CD2 4.45Å; L718-F721 PolarHBondContact O-N 2.95Å; W719-F721 VanDerWaalsContact C-N 3.28Å; W719-F721 PolarHBondContact O-N 3.24Å; F721-Q724 VanDerWaalsContact O-CB 3.25Å; F721-Q724 WeakPolarHBondContact O-CB 3.25Å; F721-Q724 PolarHBondContact O-N 3.48Å; F721-Y725 WeakPolarHBondContact O-CD1 3.36Å; F721-Y725 VanDerWaalsContact O-CE1 3.24Å; F721-Y725 WeakPolarHBondContact O-CE1 3.39Å; F721-Y725 PolarHBondContact O-N 2.95Å |
| 722 | V | 89.8 | Confident | 88.7 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -71.7 | -36.3 | 177.6 | -174.3 | 0 | 0 | 0 | 0 | 112.1 | F687 Q693 V697 L718 W719 Q724 Y725 Q726 | F687-V722 HydrophobicContact CZ-CG2 4.32Å; Q693-V722 HydrophobicContact CB-CG1 4.29Å; Q693-V722 HydrophobicContact CB-CG2 3.63Å; V697-V722 HydrophobicContact CB-CG1 4.21Å; V697-V722 HydrophobicContact CG2-CB 3.8Å; V697-V722 HydrophobicContact CG2-CG1 3.43Å; V697-V722 VanDerWaalsContact CG2-CG1 3.43Å; V697-V722 HydrophobicContact CG2-CG2 4.22Å; L718-V722 WeakPolarHBondContact O-CG2 3.39Å; L718-V722 PolarHBondContact O-N 3.45Å; W719-V722 HydrophobicContact CE3-CG2 4.44Å; W719-V722 PolarHBondContact O-N 3.42Å; V722-Q724 PolarHBondContact O-N 3.43Å; V722-Y725 HydrophobicContact CB-CD2 4.42Å; V722-Y725 HydrophobicContact CG1-CD2 4.32Å; V722-Y725 HydrophobicContact CG2-CE2 4.38Å; V722-Y725 WeakPolarHBondContact O-CB 3.19Å; V722-Y725 PolarHBondContact O-N 2.98Å; V722-Q726 PolarHBondContact O-N 3.03Å |
| 723 | D | 89.3 | Confident | 88.4 | Confident | 6 Ų | 6 | 23.8 Ų | 23.8 | 3% | 0.032 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.8 | -36.9 | 173.8 | -77.6 | -6.8 | 0 | 0 | 0 | 111.3 | A65 S67 R701 W719 Y725 Q726 E727 | A65-D723 HydrophobicContact CB-CB 4.21Å; S67-D723 WeakPolarHBondContact CB-OD2 3.46Å; S67-D723 PolarHBondContact N-OD2 3.14Å; S67-D723 PolarHBondContact OG-OD2 2.95Å; R701-D723 IonicContact CZ-OD1 2.75Å; R701-D723 VanDerWaalsContact CZ-OD1 3.27Å; R701-D723 IonicContact CZ-OD2 3.44Å; R701-D723 IonicContact NH1-OD1 3.01Å; R701-D723 PolarHBondContact NH1-OD1 3.15Å; R701-D723 IonicContact NH1-OD2 3.49Å; R701-D723 IonicContact NH2-OD1 2.5Å; R701-D723 PolarHBondContact NH2-OD1 3.22Å; R701-D723 IonicContact NH2-OD2 2.9Å; R701-D723 PolarHBondContact NH2-OD2 3.47Å; R701-D723 VanDerWaalsContact NH2-OD2 3.08Å; W719-D723 PolarHBondContact O-N 2.77Å; D723-Y725 VanDerWaalsContact C-N 3.3Å; D723-Y725 PolarHBondContact O-N 3.46Å; D723-Q726 PolarHBondContact O-N 3.16Å; D723-E727 PolarHBondContact O-N 3.02Å |
| 724 | Q | 88 | Confident | 88.3 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.9 | -43.6 | 171.5 | -174.7 | -160.9 | 8.7 | 0 | 0 | 111.3 | Y60 F721 V722 Q726 E727 I728 T784 | Y60-Q724 WeakPolarHBondContact O-CG 3.26Å; Y60-Q724 PolarHBondContact O-NE2 3.49Å; Y60-Q724 VanDerWaalsContact O-NE2 3.12Å; F721-Q724 VanDerWaalsContact O-CB 3.25Å; F721-Q724 WeakPolarHBondContact O-CB 3.25Å; F721-Q724 PolarHBondContact O-N 3.48Å; V722-Q724 PolarHBondContact O-N 3.43Å; Q724-Q726 VanDerWaalsContact C-N 3.28Å; Q724-Q726 PolarHBondContact O-N 3.47Å; Q724-E727 PolarHBondContact O-N 3.25Å; Q724-I728 HydrophobicContact CG-CD1 3.72Å; Q724-I728 HydrophobicContact CG-CG1 4.2Å; Q724-I728 WeakPolarHBondContact O-CD1 3.39Å; Q724-I728 VanDerWaalsContact O-CG1 3.23Å; Q724-I728 WeakPolarHBondContact O-CG1 3.42Å; Q724-I728 PolarHBondContact O-N 2.97Å; Q724-T784 PolarHBondContact NE2-OG1 2.93Å |
| 725 | Y | 83.9 | Confident | 87.9 | Confident | 3 Ų | 3 | 30.5 Ų | 30.5 | 1% | 0.012 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.1 | -37.3 | -179.5 | -53.1 | -20.8 | 0 | 0 | 0 | 112.1 | L546 F721 V722 D723 E727 | L546-Y725 VanDerWaalsContact N-CE1 3.27Å; L546-Y725 VanDerWaalsContact O-CE1 3.25Å; L546-Y725 WeakPolarHBondContact O-CE1 3.41Å; L546-Y725 PolarHBondContact O-OH 3.38Å; F721-Y725 WeakPolarHBondContact O-CD1 3.36Å; F721-Y725 VanDerWaalsContact O-CE1 3.24Å; F721-Y725 WeakPolarHBondContact O-CE1 3.39Å; F721-Y725 PolarHBondContact O-N 2.95Å; V722-Y725 HydrophobicContact CB-CD2 4.42Å; V722-Y725 HydrophobicContact CG1-CD2 4.32Å; V722-Y725 HydrophobicContact CG2-CE2 4.38Å; V722-Y725 WeakPolarHBondContact O-CB 3.19Å; V722-Y725 PolarHBondContact O-N 2.98Å; D723-Y725 VanDerWaalsContact C-N 3.3Å; D723-Y725 PolarHBondContact O-N 3.46Å; Y725-E727 VanDerWaalsContact C-N 3.32Å; Y725-E727 PolarHBondContact O-N 2.8Å |
| 726 | Q | 83.6 | Confident | 87.6 | Confident | 59 Ų | 59 | 32.1 Ų | 32.1 | 28% | 0.276 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -70.2 | -29 | 179.2 | -65.2 | -178.9 | 6 | 0 | 0 | 112.8 | T694 V722 D723 Q724 P730 | T694-Q726 HydrophobicContact CG2-CG 3.83Å; V722-Q726 PolarHBondContact O-N 3.03Å; D723-Q726 PolarHBondContact O-N 3.16Å; Q724-Q726 VanDerWaalsContact C-N 3.28Å; Q724-Q726 PolarHBondContact O-N 3.47Å; Q726-P730 WeakPolarHBondContact O-CD 3.23Å |
| 727 | E | 84.6 | Confident | 87.5 | Confident | 44 Ų | 44 | 35.6 Ų | 35.6 | 21% | 0.206 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -90.5 | -27.6 | -179.2 | -73.5 | -164.3 | -155.3 | 0 | 0 | 114.3 | P62 N398 D723 Q724 Y725 L729 P730 N731 | P62-E727 WeakPolarHBondContact CB-OE1 3.44Å; P62-E727 WeakPolarHBondContact CB-OE2 3.36Å; P62-E727 HydrophobicContact CG-CB 4.32Å; P62-E727 HydrophobicContact CG-CG 4.21Å; N398-E727 WeakPolarHBondContact CB-OE2 3.21Å; N398-E727 PolarHBondContact ND2-OE2 3.14Å; D723-E727 PolarHBondContact O-N 3.02Å; Q724-E727 PolarHBondContact O-N 3.25Å; Y725-E727 VanDerWaalsContact C-N 3.32Å; Y725-E727 PolarHBondContact O-N 2.8Å; E727-L729 PolarHBondContact O-N 2.95Å; E727-P730 WeakPolarHBondContact O-CD 3.49Å; E727-N731 VanDerWaalsContact O-CB 3.29Å; E727-N731 WeakPolarHBondContact O-CB 3.08Å; E727-N731 PolarHBondContact O-N 3.31Å; E727-N731 PolarHBondContact O-ND2 3.1Å |
| 728 | I | 86.6 | Confident | 87.7 | Confident | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.015 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.2 | -54.7 | -175.3 | -74.9 | 159.8 | 0 | 0 | 0 | 111.5 | I399 Q724 N731 V732 L782 | I399-I728 HydrophobicContact CD1-CG1 4.14Å; Q724-I728 HydrophobicContact CG-CD1 3.72Å; Q724-I728 HydrophobicContact CG-CG1 4.2Å; Q724-I728 WeakPolarHBondContact O-CD1 3.39Å; Q724-I728 VanDerWaalsContact O-CG1 3.23Å; Q724-I728 WeakPolarHBondContact O-CG1 3.42Å; Q724-I728 PolarHBondContact O-N 2.97Å; I728-N731 PolarHBondContact O-N 3.49Å; I728-V732 HydrophobicContact CG2-CG2 4.08Å; I728-V732 VanDerWaalsContact O-CB 3.27Å; I728-V732 WeakPolarHBondContact O-CB 3.2Å; I728-V732 WeakPolarHBondContact O-CG2 3.49Å; I728-V732 PolarHBondContact O-N 2.98Å; I728-L782 HydrophobicContact CG2-CD2 3.94Å; I728-L782 HydrophobicContact CG2-CG 3.82Å |
| 729 | L | 85.7 | Confident | 87.7 | Confident | 59 Ų | 59 | 33.6 Ų | 33.6 | 31% | 0.309 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.5 | -48.9 | -172.6 | 176.6 | 68.8 | 0 | 0 | 0 | 113 | E727 N731 V732 V733 L782 | E727-L729 PolarHBondContact O-N 2.95Å; L729-N731 VanDerWaalsContact C-N 3.34Å; L729-N731 PolarHBondContact O-N 3.19Å; L729-V732 WeakPolarHBondContact O-CB 3.48Å; L729-V732 PolarHBondContact O-N 3.39Å; L729-V733 HydrophobicContact CD1-CG2 4.21Å; L729-V733 WeakPolarHBondContact O-CG2 3.16Å; L729-V733 PolarHBondContact O-N 3.01Å; L729-L782 HydrophobicContact CB-CD2 4.16Å; L729-L782 HydrophobicContact CD1-CD2 3.71Å |
| 730 | P | 87.4 | Confident | 87.4 | Confident | 75 Ų | 75 | 35 Ų | 35 | 49% | 0.487 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -58.5 | -43.1 | 175.4 | -25.6 | 35.3 | 0 | 0 | 0 | 113.1 | Q726 E727 V733 Q734 | Q726-P730 WeakPolarHBondContact O-CD 3.23Å; E727-P730 WeakPolarHBondContact O-CD 3.49Å; P730-V733 PolarHBondContact O-N 3.41Å; P730-Q734 WeakPolarHBondContact O-CB 3.38Å; P730-Q734 PolarHBondContact O-N 2.97Å |
| 731 | N | 87.9 | Confident | 87.4 | Confident | 26 Ų | 26 | 37.9 Ų | 37.9 | 14% | 0.139 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.9 | -42.9 | 178.8 | -71.3 | -13.3 | 0 | 0 | 0 | 111.3 | E727 I728 L729 Q734 E735 M787 | E727-N731 VanDerWaalsContact O-CB 3.29Å; E727-N731 WeakPolarHBondContact O-CB 3.08Å; E727-N731 PolarHBondContact O-N 3.31Å; E727-N731 PolarHBondContact O-ND2 3.1Å; I728-N731 PolarHBondContact O-N 3.49Å; L729-N731 VanDerWaalsContact C-N 3.34Å; L729-N731 PolarHBondContact O-N 3.19Å; N731-Q734 PolarHBondContact O-N 2.8Å; N731-E735 WeakPolarHBondContact O-CB 3.47Å; N731-E735 PolarHBondContact O-N 3.02Å; N731-M787 HydrophobicContact CB-CE 4.3Å |
| 732 | V | 87.3 | Confident | 87.4 | Confident | 9 Ų | 9 | 38.5 Ų | 38.5 | 6% | 0.055 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.7 | -48.9 | 174.6 | 149.8 | 0 | 0 | 0 | 0 | 111.4 | I728 L729 E735 V736 L782 M787 M790 | I728-V732 HydrophobicContact CG2-CG2 4.08Å; I728-V732 VanDerWaalsContact O-CB 3.27Å; I728-V732 WeakPolarHBondContact O-CB 3.2Å; I728-V732 WeakPolarHBondContact O-CG2 3.49Å; I728-V732 PolarHBondContact O-N 2.98Å; L729-V732 WeakPolarHBondContact O-CB 3.48Å; L729-V732 PolarHBondContact O-N 3.39Å; V732-E735 PolarHBondContact O-N 2.94Å; V732-V736 VanDerWaalsContact O-CG2 3.28Å; V732-V736 WeakPolarHBondContact O-CG2 3.42Å; V732-V736 PolarHBondContact O-N 2.93Å; V732-L782 HydrophobicContact CG1-CD1 4.28Å; V732-L782 HydrophobicContact CG1-CD2 4.29Å; V732-L782 HydrophobicContact CG2-CD1 4.23Å; V732-L782 HydrophobicContact CG2-CD2 4.43Å; V732-M787 HydrophobicContact CG2-CB 4.02Å; V732-M787 HydrophobicContact CG2-CG 3.81Å; V732-M787 HydrophobicContact CG2-SD 4.26Å; V732-M790 HydrophobicContact CB-CE 3.67Å; V732-M790 HydrophobicContact CG1-CE 3.17Å; V732-M790 HydrophobicContact CG1-SD 3.93Å; V732-M790 HydrophobicContact CG2-CE 3.57Å |
| 733 | V | 88.7 | Confident | 87.1 | Confident | 80 Ų | 80 | 38.7 Ų | 38.7 | 49% | 0.485 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.6 | -44.5 | 179.6 | 172.4 | 0 | 0 | 0 | 0 | 111 | L729 P730 E735 V736 V737 | L729-V733 HydrophobicContact CD1-CG2 4.21Å; L729-V733 WeakPolarHBondContact O-CG2 3.16Å; L729-V733 PolarHBondContact O-N 3.01Å; P730-V733 PolarHBondContact O-N 3.41Å; V733-E735 VanDerWaalsContact C-N 3.3Å; V733-E735 PolarHBondContact O-N 2.92Å; V733-V736 PolarHBondContact O-N 3.28Å; V733-V737 HydrophobicContact CG1-CG2 4.48Å; V733-V737 WeakPolarHBondContact O-CB 3.18Å; V733-V737 VanDerWaalsContact O-CG2 3.29Å; V733-V737 WeakPolarHBondContact O-CG2 3.23Å; V733-V737 PolarHBondContact O-N 3.14Å |
| 734 | Q | 90.2 | Very high | 86.9 | Confident | 135 Ų | 135 | 40.9 Ų | 40.9 | 63% | 0.631 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -58.5 | -44.5 | 176.5 | 176.7 | 178.1 | -28.1 | 0 | 0 | 111.2 | P730 N731 V737 A738 | P730-Q734 WeakPolarHBondContact O-CB 3.38Å; P730-Q734 PolarHBondContact O-N 2.97Å; N731-Q734 PolarHBondContact O-N 2.8Å; Q734-V737 PolarHBondContact O-N 2.69Å; Q734-A738 WeakPolarHBondContact O-CB 3.33Å; Q734-A738 PolarHBondContact O-N 3Å |
| 735 | E | 87.1 | Confident | 86.8 | Confident | 13 Ų | 13 | 45.5 Ų | 45.5 | 6% | 0.061 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68 | -42.9 | -178.8 | -176.6 | 60.8 | -170.1 | 0 | 0 | 112.2 | L393 G394 N731 V732 V733 V737 A738 G739 I791 | L393-E735 WeakPolarHBondContact CB-OE1 3.41Å; L393-E735 WeakPolarHBondContact CB-OE2 3.39Å; G394-E735 PolarHBondContact N-OE1 2.79Å; N731-E735 WeakPolarHBondContact O-CB 3.47Å; N731-E735 PolarHBondContact O-N 3.02Å; V732-E735 PolarHBondContact O-N 2.94Å; V733-E735 VanDerWaalsContact C-N 3.3Å; V733-E735 PolarHBondContact O-N 2.92Å; E735-V737 VanDerWaalsContact C-N 3.34Å; E735-V737 PolarHBondContact O-N 3.08Å; E735-A738 PolarHBondContact O-N 3.35Å; E735-G739 WeakPolarHBondContact O-CA 3.11Å; E735-G739 PolarHBondContact O-N 3.31Å; E735-I791 HydrophobicContact CG-CD1 4.22Å; E735-I791 HydrophobicContact CG-CG1 3.7Å |
| 736 | V | 86.9 | Confident | 86.8 | Confident | 38 Ų | 38 | 46.1 Ų | 46.1 | 23% | 0.23 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 173.7 | 171.1 | 0 | 0 | 0 | 0 | 110.3 | V732 V733 M740 M790 I794 | V732-V736 VanDerWaalsContact O-CG2 3.28Å; V732-V736 WeakPolarHBondContact O-CG2 3.42Å; V732-V736 PolarHBondContact O-N 2.93Å; V733-V736 PolarHBondContact O-N 3.28Å; V736-M740 HydrophobicContact CG1-CG 4.37Å; V736-M740 WeakPolarHBondContact O-CB 3.41Å; V736-M740 WeakPolarHBondContact O-CG 3.44Å; V736-M740 PolarHBondContact O-N 3.07Å; V736-M790 HydrophobicContact CG2-CE 3.81Å; V736-M790 HydrophobicContact CG2-CG 4.4Å; V736-M790 HydrophobicContact CG2-SD 3.89Å; V736-I794 HydrophobicContact CG2-CD1 4.2Å |
| 737 | V | 89.8 | Confident | 86.6 | Confident | 90 Ų | 90 | 43.8 Ų | 43.8 | 55% | 0.545 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.9 | -44.3 | 179.9 | 172.6 | 0 | 0 | 0 | 0 | 111.8 | V733 Q734 E735 S741 | V733-V737 HydrophobicContact CG1-CG2 4.48Å; V733-V737 WeakPolarHBondContact O-CB 3.18Å; V733-V737 VanDerWaalsContact O-CG2 3.29Å; V733-V737 WeakPolarHBondContact O-CG2 3.23Å; V733-V737 PolarHBondContact O-N 3.14Å; Q734-V737 PolarHBondContact O-N 2.69Å; E735-V737 VanDerWaalsContact C-N 3.34Å; E735-V737 PolarHBondContact O-N 3.08Å; V737-S741 WeakPolarHBondContact O-CB 3.46Å; V737-S741 PolarHBondContact O-N 3.17Å; V737-S741 PolarHBondContact O-OG 2.92Å |
| 738 | A | 90.1 | Very high | 86.5 | Confident | 31 Ų | 31 | 44.4 Ų | 44.4 | 26% | 0.256 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.9 | -48 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L393 Q734 E735 M740 S741 V742 | L393-A738 HydrophobicContact CD1-CB 4.38Å; Q734-A738 WeakPolarHBondContact O-CB 3.33Å; Q734-A738 PolarHBondContact O-N 3Å; E735-A738 PolarHBondContact O-N 3.35Å; A738-M740 PolarHBondContact O-N 2.89Å; A738-S741 WeakPolarHBondContact O-CB 3.4Å; A738-S741 PolarHBondContact O-N 3.47Å; A738-S741 VanDerWaalsContact O-N 3.11Å; A738-V742 WeakPolarHBondContact O-CG2 3.48Å; A738-V742 PolarHBondContact O-N 3.09Å |
| 739 | G | 87.2 | Confident | 86.2 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -55.9 | -51.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E735 S741 V742 M743 | E735-G739 WeakPolarHBondContact O-CA 3.11Å; E735-G739 PolarHBondContact O-N 3.31Å; G739-S741 VanDerWaalsContact C-N 3.28Å; G739-S741 PolarHBondContact O-N 3.4Å; G739-V742 PolarHBondContact O-N 3.48Å; G739-M743 WeakPolarHBondContact O-CB 3.28Å; G739-M743 VanDerWaalsContact O-CG 3.24Å; G739-M743 WeakPolarHBondContact O-CG 3.21Å; G739-M743 PolarHBondContact O-N 3Å |
| 740 | M | 85.1 | Confident | 85.8 | Confident | 30 Ų | 30 | 46 Ų | 46 | 15% | 0.148 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.2 | -40 | 174.9 | -74.5 | -61.1 | -58.8 | 0 | 0 | 112.8 | V736 A738 M743 V744 A761 I764 A765 | V736-M740 HydrophobicContact CG1-CG 4.37Å; V736-M740 WeakPolarHBondContact O-CB 3.41Å; V736-M740 WeakPolarHBondContact O-CG 3.44Å; V736-M740 PolarHBondContact O-N 3.07Å; A738-M740 PolarHBondContact O-N 2.89Å; M740-M743 PolarHBondContact O-N 2.72Å; M740-V744 VanDerWaalsContact O-CG2 3.23Å; M740-V744 WeakPolarHBondContact O-CG2 3.41Å; M740-V744 PolarHBondContact O-N 2.95Å; M740-A761 WeakPolarHBondContact CE-O 3.47Å; M740-I764 HydrophobicContact CE-CB 4.1Å; M740-I764 HydrophobicContact CE-CG2 4.07Å; M740-I764 HydrophobicContact SD-CB 4.04Å; M740-I764 HydrophobicContact SD-CG2 3.34Å; M740-I764 WeakPolarHBondContact SD-CG2 3.44Å; M740-A765 HydrophobicContact CE-CB 3.9Å |
| 741 | S | 88.2 | Confident | 85.2 | Confident | 71 Ų | 71 | 42.5 Ų | 42.5 | 50% | 0.497 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.7 | -44.5 | 178.8 | -60.2 | 0 | 0 | 0 | 0 | 112 | V737 A738 G739 M743 V744 L745 | V737-S741 WeakPolarHBondContact O-CB 3.46Å; V737-S741 PolarHBondContact O-N 3.17Å; V737-S741 PolarHBondContact O-OG 2.92Å; A738-S741 WeakPolarHBondContact O-CB 3.4Å; A738-S741 PolarHBondContact O-N 3.47Å; A738-S741 VanDerWaalsContact O-N 3.11Å; G739-S741 VanDerWaalsContact C-N 3.28Å; G739-S741 PolarHBondContact O-N 3.4Å; S741-M743 VanDerWaalsContact C-N 3.34Å; S741-V744 PolarHBondContact O-N 3.06Å; S741-L745 PolarHBondContact O-N 3.37Å; S741-L745 VanDerWaalsContact O-N 3.08Å |
| 742 | V | 87.4 | Confident | 84.3 | Confident | 36 Ų | 36 | 41.7 Ų | 41.7 | 22% | 0.218 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66 | -39.4 | 175.9 | 178 | 0 | 0 | 0 | 0 | 110.6 | F389 L393 A738 G739 L745 I746 | F389-V742 HydrophobicContact CB-CG1 3.92Å; F389-V742 HydrophobicContact CG-CG1 4.2Å; L393-V742 HydrophobicContact CD1-CB 4.48Å; L393-V742 HydrophobicContact CD1-CG2 4.11Å; A738-V742 WeakPolarHBondContact O-CG2 3.48Å; A738-V742 PolarHBondContact O-N 3.09Å; G739-V742 PolarHBondContact O-N 3.48Å; V742-L745 WeakPolarHBondContact O-CB 3.2Å; V742-L745 PolarHBondContact O-N 3.49Å; V742-I746 HydrophobicContact CG1-CD1 3.89Å; V742-I746 HydrophobicContact CG1-CG1 4.36Å; V742-I746 WeakPolarHBondContact O-CG1 3.47Å; V742-I746 PolarHBondContact O-N 3.33Å |
| 743 | M | 84.8 | Confident | 83.9 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.02 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.2 | -41.2 | 177.4 | -69.6 | -45 | 112.7 | 0 | 0 | 112.6 | T386 F389 S390 G739 M740 S741 L745 I746 A747 I794 V798 | T386-M743 HydrophobicContact CG2-CE 4.2Å; T386-M743 HydrophobicContact CG2-SD 3.21Å; T386-M743 WeakPolarHBondContact CG2-SD 3.41Å; T386-M743 PolarHBondContact OG1-SD 2.97Å; T386-M743 VanDerWaalsContact OG1-SD 3.38Å; F389-M743 HydrophobicContact CB-CE 4.23Å; S390-M743 WeakPolarHBondContact OG-CE 3.4Å; G739-M743 WeakPolarHBondContact O-CB 3.28Å; G739-M743 VanDerWaalsContact O-CG 3.24Å; G739-M743 WeakPolarHBondContact O-CG 3.21Å; G739-M743 PolarHBondContact O-N 3Å; M740-M743 PolarHBondContact O-N 2.72Å; S741-M743 VanDerWaalsContact C-N 3.34Å; M743-L745 VanDerWaalsContact C-N 3.29Å; M743-L745 PolarHBondContact O-N 3.4Å; M743-I746 HydrophobicContact CE-CD1 3.89Å; M743-I746 PolarHBondContact O-N 3.32Å; M743-I746 HydrophobicContact SD-CD1 4.33Å; M743-A747 WeakPolarHBondContact O-CB 3.39Å; M743-A747 PolarHBondContact O-N 2.75Å; M743-I794 HydrophobicContact CG-CG2 3.98Å; M743-V798 HydrophobicContact CB-CG2 4.44Å; M743-V798 HydrophobicContact CG-CG2 3.95Å; M743-V798 HydrophobicContact SD-CG2 4.08Å |
| 744 | V | 84.2 | Confident | 83.6 | Confident | 51 Ų | 51 | 42.3 Ų | 42.3 | 31% | 0.309 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.8 | -42.8 | 172.4 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | M740 S741 A747 L748 A761 | M740-V744 VanDerWaalsContact O-CG2 3.23Å; M740-V744 WeakPolarHBondContact O-CG2 3.41Å; M740-V744 PolarHBondContact O-N 2.95Å; S741-V744 PolarHBondContact O-N 3.06Å; V744-A747 PolarHBondContact O-N 3.45Å; V744-L748 HydrophobicContact CG1-CD1 3.81Å; V744-L748 HydrophobicContact CG1-CG 4.34Å; V744-L748 WeakPolarHBondContact O-CB 3.37Å; V744-L748 WeakPolarHBondContact O-CG 3.47Å; V744-L748 PolarHBondContact O-N 3.36Å; V744-A761 HydrophobicContact CG2-CB 3.53Å |
| 745 | L | 85.3 | Confident | 83.3 | Confident | 98 Ų | 98 | 39 Ų | 39 | 51% | 0.513 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.8 | -49 | 178.1 | -179.8 | 64.1 | 0 | 0 | 0 | 111.8 | S741 V742 M743 A747 L748 L749 | S741-L745 PolarHBondContact O-N 3.37Å; S741-L745 VanDerWaalsContact O-N 3.08Å; V742-L745 WeakPolarHBondContact O-CB 3.2Å; V742-L745 PolarHBondContact O-N 3.49Å; M743-L745 VanDerWaalsContact C-N 3.29Å; M743-L745 PolarHBondContact O-N 3.4Å; L745-A747 VanDerWaalsContact C-N 3.35Å; L745-A747 PolarHBondContact O-N 2.98Å; L745-L748 PolarHBondContact O-N 2.84Å; L745-L749 HydrophobicContact CD1-CD1 4.1Å; L745-L749 HydrophobicContact CD1-CG 4.27Å; L745-L749 HydrophobicContact CG-CD1 4.01Å; L745-L749 WeakPolarHBondContact O-CB 3.31Å; L745-L749 VanDerWaalsContact O-CG 3.28Å; L745-L749 WeakPolarHBondContact O-CG 3.23Å; L745-L749 PolarHBondContact O-N 3.21Å |
| 746 | I | 83.8 | Confident | 83.3 | Confident | 16 Ų | 16 | 38.3 Ų | 38.3 | 8% | 0.082 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.2 | -45.6 | 177.5 | -66.2 | 169.8 | 0 | 0 | 0 | 110.2 | F389 V742 M743 L748 L749 M750 | F389-I746 HydrophobicContact CB-CD1 4.28Å; F389-I746 HydrophobicContact CD2-CD1 3.72Å; F389-I746 HydrophobicContact CG-CD1 4.3Å; V742-I746 HydrophobicContact CG1-CD1 3.89Å; V742-I746 HydrophobicContact CG1-CG1 4.36Å; V742-I746 WeakPolarHBondContact O-CG1 3.47Å; V742-I746 PolarHBondContact O-N 3.33Å; M743-I746 HydrophobicContact CE-CD1 3.89Å; M743-I746 PolarHBondContact O-N 3.32Å; M743-I746 HydrophobicContact SD-CD1 4.33Å; I746-L748 VanDerWaalsContact C-N 3.3Å; I746-L748 PolarHBondContact O-N 2.94Å; I746-L749 PolarHBondContact O-N 3.42Å; I746-M750 HydrophobicContact CG2-CG 4.2Å; I746-M750 WeakPolarHBondContact O-CB 3.26Å; I746-M750 WeakPolarHBondContact O-CG 3.28Å; I746-M750 PolarHBondContact O-N 3.03Å |
| 747 | A | 80 | Confident | 83.2 | Confident | 9 Ų | 9 | 36.6 Ų | 36.6 | 7% | 0.074 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.5 | -35.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | M743 V744 L745 I751 S757 | M743-A747 WeakPolarHBondContact O-CB 3.39Å; M743-A747 PolarHBondContact O-N 2.75Å; V744-A747 PolarHBondContact O-N 3.45Å; L745-A747 VanDerWaalsContact C-N 3.35Å; L745-A747 PolarHBondContact O-N 2.98Å; A747-I751 HydrophobicContact CB-CD1 4.19Å; A747-I751 WeakPolarHBondContact O-CA 3.49Å; A747-I751 WeakPolarHBondContact O-CB 3.39Å; A747-I751 WeakPolarHBondContact O-CG1 3.41Å; A747-I751 PolarHBondContact O-N 3.39Å; A747-S757 PolarHBondContact O-OG 2.88Å |
| 748 | L | 82.9 | Confident | 83.1 | Confident | 58 Ų | 58 | 38.1 Ų | 38.1 | 30% | 0.304 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -72.3 | -37.7 | 174.7 | -74.8 | 170.1 | 0 | 0 | 0 | 112.5 | V744 L745 I746 P754 | V744-L748 HydrophobicContact CG1-CD1 3.81Å; V744-L748 HydrophobicContact CG1-CG 4.34Å; V744-L748 WeakPolarHBondContact O-CB 3.37Å; V744-L748 WeakPolarHBondContact O-CG 3.47Å; V744-L748 PolarHBondContact O-N 3.36Å; L745-L748 PolarHBondContact O-N 2.84Å; I746-L748 VanDerWaalsContact C-N 3.3Å; I746-L748 PolarHBondContact O-N 2.94Å; L748-P754 HydrophobicContact CD2-CB 3.9Å |
| 749 | L | 80.7 | Confident | 83.1 | Confident | 68 Ų | 68 | 38.7 Ų | 38.7 | 36% | 0.356 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -73.5 | -38.1 | 180 | -70.3 | 174 | 0 | 0 | 0 | 112.5 | I10 L745 I746 | I10-L749 HydrophobicContact CD1-CD2 4.4Å; L745-L749 HydrophobicContact CD1-CD1 4.1Å; L745-L749 HydrophobicContact CD1-CG 4.27Å; L745-L749 HydrophobicContact CG-CD1 4.01Å; L745-L749 WeakPolarHBondContact O-CB 3.31Å; L745-L749 VanDerWaalsContact O-CG 3.28Å; L745-L749 WeakPolarHBondContact O-CG 3.23Å; L745-L749 PolarHBondContact O-N 3.21Å; I746-L749 PolarHBondContact O-N 3.42Å |
| 750 | M | 76.6 | Confident | 83.2 | Confident | 26 Ų | 26 | 38.7 Ų | 38.7 | 13% | 0.128 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -97.7 | -32.5 | -173.1 | -63.5 | -64.5 | 125.2 | 0 | 0 | 113.5 | I10 I382 I746 P752 | I10-M750 HydrophobicContact CB-CE 4.41Å; I10-M750 HydrophobicContact CD1-CE 4.33Å; I10-M750 HydrophobicContact CG2-CE 3.51Å; I10-M750 HydrophobicContact CG2-SD 4.1Å; I382-M750 HydrophobicContact CD1-CB 3.78Å; I382-M750 HydrophobicContact CG1-CB 3.7Å; I382-M750 HydrophobicContact CG1-CG 3.93Å; I746-M750 HydrophobicContact CG2-CG 4.2Å; I746-M750 WeakPolarHBondContact O-CB 3.26Å; I746-M750 WeakPolarHBondContact O-CG 3.28Å; I746-M750 PolarHBondContact O-N 3.03Å; M750-P752 WeakPolarHBondContact O-CD 3.47Å |
| 751 | I | 74.4 | Confident | 83.4 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -90.4 | 119.8 | 178 | -52.4 | 175.9 | 0 | 0 | 0 | 108.9 | A747 H753 C756 V760 A805 V809 | A747-I751 HydrophobicContact CB-CD1 4.19Å; A747-I751 WeakPolarHBondContact O-CA 3.49Å; A747-I751 WeakPolarHBondContact O-CB 3.39Å; A747-I751 WeakPolarHBondContact O-CG1 3.41Å; A747-I751 PolarHBondContact O-N 3.39Å; I751-H753 PolarHBondContact O-N 3.06Å; I751-C756 HydrophobicContact CG2-CB 4.19Å; I751-V760 HydrophobicContact CD1-CG2 4.26Å; I751-A805 HydrophobicContact CD1-CB 4.37Å; I751-V809 HydrophobicContact CG2-CG2 4.01Å |
| 752 | P | 69.6 | Low | 83.5 | Confident | 10 Ų | 10 | 36.8 Ų | 36.8 | 7% | 0.065 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -54.6 | -17.4 | -175.7 | -33.8 | 38.2 | 0 | 0 | 0 | 118.1 | N8 E11 M750 V809 | N8-P752 HydrophobicContact CB-CB 4.47Å; N8-P752 WeakPolarHBondContact OD1-CB 3.47Å; E11-P752 HydrophobicContact CB-CG 4.48Å; E11-P752 HydrophobicContact CG-CG 4.37Å; M750-P752 WeakPolarHBondContact O-CD 3.47Å; P752-V809 HydrophobicContact CB-CG1 3.69Å; P752-V809 HydrophobicContact CG-CG1 3.84Å |
| 753 | H | 79.4 | Confident | 83.7 | Confident | 41 Ų | 41 | 35.1 Ų | 35.1 | 19% | 0.19 | 19% | 0.19 | C | C | . | . | trans | -125.4 | 111.5 | -168.5 | -167.6 | -66.8 | 0 | 0 | 0 | 111.5 | I751 C755 C756 S757 V809 | I751-H753 PolarHBondContact O-N 3.06Å; H753-C755 PolarHBondContact ND1-N 3.42Å; H753-C755 PolarHBondContact O-N 2.87Å; H753-C756 HydrophobicContact CB-CB 4.07Å; H753-C756 WeakPolarHBondContact O-CA 3.4Å; H753-C756 VanDerWaalsContact O-CB 3.23Å; H753-C756 WeakPolarHBondContact O-CB 3.3Å; H753-C756 PolarHBondContact O-N 3.48Å; H753-S757 PolarHBondContact O-N 2.85Å; H753-S757 PolarHBondContact O-OG 3.47Å; H753-V809 HydrophobicContact CB-CG1 4.28Å; H753-V809 HydrophobicContact CB-CG2 4.22Å | ||
| 754 | P | 81.3 | Confident | 84 | Confident | 61 Ų | 61 | 35 Ų | 35 | 40% | 0.396 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.5 | -36.2 | -171.5 | 22.8 | -33.7 | 0 | 0 | 0 | 113.7 | L748 C756 S757 F758 | L748-P754 HydrophobicContact CD2-CB 3.9Å; P754-C756 PolarHBondContact O-N 3.33Å; P754-S757 PolarHBondContact O-N 2.99Å; P754-F758 PolarHBondContact O-N 3.42Å |
| 755 | C | 85.5 | Confident | 84.3 | Confident | 64 Ų | 64 | 34.9 Ų | 34.9 | 43% | 0.432 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.7 | -27.7 | 175.2 | -48.7 | 0 | 0 | 0 | 0 | 112.7 | H753 W759 V883 | H753-C755 PolarHBondContact ND1-N 3.42Å; H753-C755 PolarHBondContact O-N 2.87Å; C755-W759 PolarHBondContact O-N 3.23Å; C755-V883 HydrophobicContact CB-CG2 4.38Å |
| 756 | C | 85.9 | Confident | 84.7 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -71 | -47.1 | 175.6 | -166.6 | 0 | 0 | 0 | 0 | 109.2 | I751 H753 P754 F758 W759 V760 V809 L879 | I751-C756 HydrophobicContact CG2-CB 4.19Å; H753-C756 HydrophobicContact CB-CB 4.07Å; H753-C756 WeakPolarHBondContact O-CA 3.4Å; H753-C756 VanDerWaalsContact O-CB 3.23Å; H753-C756 WeakPolarHBondContact O-CB 3.3Å; H753-C756 PolarHBondContact O-N 3.48Å; P754-C756 PolarHBondContact O-N 3.33Å; C756-F758 VanDerWaalsContact C-N 3.27Å; C756-F758 PolarHBondContact O-N 3.08Å; C756-W759 PolarHBondContact O-N 3.25Å; C756-W759 VanDerWaalsContact O-N 3.14Å; C756-V760 WeakPolarHBondContact O-CG2 3.42Å; C756-V760 PolarHBondContact O-N 2.9Å; C756-V809 HydrophobicContact CB-CG2 3.89Å; C756-L879 HydrophobicContact CB-CD2 4.45Å |
| 757 | S | 85.5 | Confident | 85.2 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.007 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.7 | -40.3 | 174.8 | -44.4 | 0 | 0 | 0 | 0 | 112.1 | A747 H753 P754 V760 A761 | A747-S757 PolarHBondContact O-OG 2.88Å; H753-S757 PolarHBondContact O-N 2.85Å; H753-S757 PolarHBondContact O-OG 3.47Å; P754-S757 PolarHBondContact O-N 2.99Å; S757-V760 PolarHBondContact O-N 3.43Å; S757-A761 PolarHBondContact O-N 3.34Å |
| 758 | F | 87.6 | Confident | 85.8 | Confident | 122 Ų | 122 | 29.6 Ų | 29.6 | 54% | 0.535 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -59.7 | -47.6 | 174.4 | 175 | -99 | 0 | 0 | 0 | 112.6 | P754 C756 V760 A761 V762 | P754-F758 PolarHBondContact O-N 3.42Å; C756-F758 VanDerWaalsContact C-N 3.27Å; C756-F758 PolarHBondContact O-N 3.08Å; F758-V760 VanDerWaalsContact C-N 3.33Å; F758-V760 PolarHBondContact O-N 2.98Å; F758-A761 WeakPolarHBondContact O-CB 3.34Å; F758-A761 PolarHBondContact O-N 2.79Å; F758-V762 HydrophobicContact CD1-CG2 4.36Å; F758-V762 HydrophobicContact CE1-CG2 3.88Å; F758-V762 HydrophobicContact CE2-CG2 4.34Å; F758-V762 HydrophobicContact CZ-CG2 3.87Å; F758-V762 WeakPolarHBondContact O-CG2 3.48Å; F758-V762 PolarHBondContact O-N 3.19Å |
| 759 | W | 90 | Very high | 86.2 | Confident | 44 Ų | 44 | 29.4 Ų | 29.4 | 17% | 0.167 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69.5 | -30.5 | 178.3 | -77.8 | 111.2 | 0 | 0 | 0 | 113.1 | C755 C756 V762 T763 L878 L879 F882 | C755-W759 PolarHBondContact O-N 3.23Å; C756-W759 PolarHBondContact O-N 3.25Å; C756-W759 VanDerWaalsContact O-N 3.14Å; W759-V762 HydrophobicContact CE3-CB 4.15Å; W759-V762 HydrophobicContact CE3-CG1 4.14Å; W759-V762 HydrophobicContact CE3-CG2 4.41Å; W759-V762 HydrophobicContact CZ3-CG1 4.1Å; W759-V762 PolarHBondContact O-N 2.73Å; W759-T763 WeakPolarHBondContact O-CB 3.26Å; W759-T763 PolarHBondContact O-N 3.24Å; W759-T763 PolarHBondContact O-OG1 2.95Å; W759-L878 HydrophobicContact CE3-CB 4.2Å; W759-L878 HydrophobicContact CE3-CD1 4.07Å; W759-L878 HydrophobicContact CE3-CD2 4.37Å; W759-L878 HydrophobicContact CE3-CG 4.45Å; W759-L878 HydrophobicContact CH2-CD2 4.45Å; W759-L878 HydrophobicContact CZ3-CD1 4.24Å; W759-L878 HydrophobicContact CZ3-CD2 3.96Å; W759-L878 HydrophobicContact CZ3-CG 4.5Å; W759-L879 HydrophobicContact CB-CD2 3.94Å; W759-F882 HydrophobicContact CD2-CD2 4.37Å; W759-F882 AromaticContact CE2-CD2 3.57Å; W759-F882 AromaticContact CE2-CG 3.67Å; W759-F882 AromaticContact CH2-CD2 3.59Å; W759-F882 HydrophobicContact CH2-CD2 3.59Å; W759-F882 AromaticContact CH2-CE2 3.53Å; W759-F882 HydrophobicContact CH2-CE2 3.53Å; W759-F882 HydrophobicContact CH2-CG 4.18Å; W759-F882 HydrophobicContact CH2-CZ 4.06Å; W759-F882 HydrophobicContact CZ2-CB 3.81Å; W759-F882 AromaticContact CZ2-CD1 3.84Å; W759-F882 HydrophobicContact CZ2-CD1 3.84Å; W759-F882 AromaticContact CZ2-CD2 3.14Å; W759-F882 HydrophobicContact CZ2-CD2 3.14Å; W759-F882 HydrophobicContact CZ2-CE1 4.17Å; W759-F882 AromaticContact CZ2-CE2 3.55Å; W759-F882 HydrophobicContact CZ2-CE2 3.55Å; W759-F882 AromaticContact CZ2-CG 3.31Å; W759-F882 HydrophobicContact CZ2-CG 3.31Å; W759-F882 HydrophobicContact CZ2-CZ 4.05Å; W759-F882 HydrophobicContact CZ3-CD2 4.35Å; W759-F882 HydrophobicContact CZ3-CE2 4.35Å; W759-F882 AromaticContact NE1-CG 3.8Å |
| 760 | V | 89.4 | Confident | 86.9 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.6 | -45.6 | 169 | 171.7 | 0 | 0 | 0 | 0 | 110 | I751 C756 S757 F758 V762 T763 I764 A805 L875 | I751-V760 HydrophobicContact CD1-CG2 4.26Å; C756-V760 WeakPolarHBondContact O-CG2 3.42Å; C756-V760 PolarHBondContact O-N 2.9Å; S757-V760 PolarHBondContact O-N 3.43Å; F758-V760 VanDerWaalsContact C-N 3.33Å; F758-V760 PolarHBondContact O-N 2.98Å; V760-V762 PolarHBondContact O-N 3.25Å; V760-T763 WeakPolarHBondContact O-CB 3.36Å; V760-T763 PolarHBondContact O-N 3.24Å; V760-T763 VanDerWaalsContact O-N 3.11Å; V760-I764 HydrophobicContact CG1-CD1 3.77Å; V760-I764 HydrophobicContact CG1-CG1 4.45Å; V760-I764 WeakPolarHBondContact O-CD1 3.41Å; V760-I764 VanDerWaalsContact O-CG1 3.28Å; V760-I764 WeakPolarHBondContact O-CG1 3.44Å; V760-I764 PolarHBondContact O-N 3.05Å; V760-A805 HydrophobicContact CG2-CB 3.43Å; V760-A805 VanDerWaalsContact CG2-CB 3.43Å; V760-L875 HydrophobicContact CG2-CD1 4.43Å |
| 761 | A | 88.6 | Confident | 87.7 | Confident | 15 Ų | 15 | 25.1 Ų | 25.1 | 12% | 0.124 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.1 | -43.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | M740 V744 S757 F758 T763 I764 A765 | M740-A761 WeakPolarHBondContact CE-O 3.47Å; V744-A761 HydrophobicContact CG2-CB 3.53Å; S757-A761 PolarHBondContact O-N 3.34Å; F758-A761 WeakPolarHBondContact O-CB 3.34Å; F758-A761 PolarHBondContact O-N 2.79Å; A761-T763 PolarHBondContact O-N 2.82Å; A761-I764 PolarHBondContact O-N 2.86Å; A761-A765 PolarHBondContact O-N 3.01Å |
| 762 | V | 90.6 | Very high | 88.6 | Confident | 46 Ų | 46 | 26.4 Ų | 26.4 | 28% | 0.279 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -60.1 | -37.7 | 174 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | F758 W759 V760 S766 | F758-V762 HydrophobicContact CD1-CG2 4.36Å; F758-V762 HydrophobicContact CE1-CG2 3.88Å; F758-V762 HydrophobicContact CE2-CG2 4.34Å; F758-V762 HydrophobicContact CZ-CG2 3.87Å; F758-V762 WeakPolarHBondContact O-CG2 3.48Å; F758-V762 PolarHBondContact O-N 3.19Å; W759-V762 HydrophobicContact CE3-CB 4.15Å; W759-V762 HydrophobicContact CE3-CG1 4.14Å; W759-V762 HydrophobicContact CE3-CG2 4.41Å; W759-V762 HydrophobicContact CZ3-CG1 4.1Å; W759-V762 PolarHBondContact O-N 2.73Å; V760-V762 PolarHBondContact O-N 3.25Å; V762-S766 WeakPolarHBondContact O-CB 3.36Å; V762-S766 PolarHBondContact O-N 3.29Å |
| 763 | T | 91.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.9 | -42.9 | 178.4 | -58.1 | 0 | 0 | 0 | 0 | 111.2 | W759 V760 A761 S766 I767 H870 L875 | W759-T763 WeakPolarHBondContact O-CB 3.26Å; W759-T763 PolarHBondContact O-N 3.24Å; W759-T763 PolarHBondContact O-OG1 2.95Å; V760-T763 WeakPolarHBondContact O-CB 3.36Å; V760-T763 PolarHBondContact O-N 3.24Å; V760-T763 VanDerWaalsContact O-N 3.11Å; A761-T763 PolarHBondContact O-N 2.82Å; T763-S766 WeakPolarHBondContact O-CB 3.3Å; T763-S766 PolarHBondContact O-N 3.49Å; T763-I767 HydrophobicContact CG2-CD1 4.12Å; T763-I767 VanDerWaalsContact O-CG1 3.29Å; T763-I767 WeakPolarHBondContact O-CG1 3.3Å; T763-I767 PolarHBondContact O-N 3.21Å; T763-H870 HydrophobicContact CG2-CB 3.64Å; T763-L875 HydrophobicContact CG2-CB 4.32Å; T763-L875 WeakPolarHBondContact OG1-CD1 3.29Å |
| 764 | I | 90.3 | Very high | 90.4 | Very high | 3 Ų | 3 | 26.1 Ų | 26.1 | 2% | 0.015 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.5 | -50.6 | 177.2 | -62.5 | 156.1 | 0 | 0 | 0 | 110.2 | M740 V760 A761 S766 I767 D768 V798 | M740-I764 HydrophobicContact CE-CB 4.1Å; M740-I764 HydrophobicContact CE-CG2 4.07Å; M740-I764 HydrophobicContact SD-CB 4.04Å; M740-I764 HydrophobicContact SD-CG2 3.34Å; M740-I764 WeakPolarHBondContact SD-CG2 3.44Å; V760-I764 HydrophobicContact CG1-CD1 3.77Å; V760-I764 HydrophobicContact CG1-CG1 4.45Å; V760-I764 WeakPolarHBondContact O-CD1 3.41Å; V760-I764 VanDerWaalsContact O-CG1 3.28Å; V760-I764 WeakPolarHBondContact O-CG1 3.44Å; V760-I764 PolarHBondContact O-N 3.05Å; A761-I764 PolarHBondContact O-N 2.86Å; I764-S766 PolarHBondContact O-N 2.86Å; I764-S766 VanDerWaalsContact O-N 3.17Å; I764-I767 WeakPolarHBondContact O-CB 3.45Å; I764-I767 PolarHBondContact O-N 3.04Å; I764-D768 PolarHBondContact O-N 2.71Å; I764-V798 HydrophobicContact CD1-CB 4.22Å; I764-V798 HydrophobicContact CD1-CG1 4.33Å; I764-V798 HydrophobicContact CD1-CG2 3.38Å; I764-V798 HydrophobicContact CG1-CG2 3.81Å; I764-V798 HydrophobicContact CG2-CG2 4.33Å |
| 765 | A | 91.2 | Very high | 91 | Very high | 47 Ų | 47 | 23.4 Ų | 23.4 | 39% | 0.388 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -56.7 | -36.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | M740 A761 L769 | M740-A765 HydrophobicContact CE-CB 3.9Å; A761-A765 PolarHBondContact O-N 3.01Å; A765-L769 VanDerWaalsContact O-CB 3.24Å; A765-L769 WeakPolarHBondContact O-CB 3.44Å; A765-L769 PolarHBondContact O-N 3.11Å |
| 766 | S | 94.5 | Very high | 91.2 | Very high | 4 Ų | 4 | 21.2 Ų | 21.2 | 3% | 0.028 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -68.6 | -37.1 | 175.9 | 177.7 | 0 | 0 | 0 | 0 | 113 | F528 Y531 L532 V762 T763 I764 G770 H870 | F528-S766 WeakPolarHBondContact CE2-OG 3.3Å; F528-S766 WeakPolarHBondContact CZ-OG 3.47Å; Y531-S766 WeakPolarHBondContact CE1-O 3.39Å; Y531-S766 WeakPolarHBondContact CE1-OG 3.15Å; Y531-S766 PolarHBondContact OH-O 2.99Å; L532-S766 WeakPolarHBondContact CD2-OG 3.31Å; V762-S766 WeakPolarHBondContact O-CB 3.36Å; V762-S766 PolarHBondContact O-N 3.29Å; T763-S766 WeakPolarHBondContact O-CB 3.3Å; T763-S766 PolarHBondContact O-N 3.49Å; I764-S766 PolarHBondContact O-N 2.86Å; I764-S766 VanDerWaalsContact O-N 3.17Å; S766-G770 PolarHBondContact O-N 3.38Å; S766-H870 PolarHBondContact OG-NE2 3.04Å |
| 767 | I | 93.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.4 | -52.1 | 175.3 | -67.3 | 159.8 | 0 | 0 | 0 | 109.5 | T763 I764 L769 G770 V771 L866 H870 | T763-I767 HydrophobicContact CG2-CD1 4.12Å; T763-I767 VanDerWaalsContact O-CG1 3.29Å; T763-I767 WeakPolarHBondContact O-CG1 3.3Å; T763-I767 PolarHBondContact O-N 3.21Å; I764-I767 WeakPolarHBondContact O-CB 3.45Å; I764-I767 PolarHBondContact O-N 3.04Å; I767-L769 VanDerWaalsContact C-N 3.3Å; I767-L769 PolarHBondContact O-N 2.89Å; I767-G770 PolarHBondContact O-N 3.4Å; I767-V771 HydrophobicContact CG2-CG2 4.2Å; I767-V771 WeakPolarHBondContact O-CG2 3.3Å; I767-V771 PolarHBondContact O-N 3.11Å; I767-L866 HydrophobicContact CG2-CB 4.2Å; I767-H870 HydrophobicContact CD1-CB 3.76Å; I767-H870 HydrophobicContact CG1-CB 3.91Å; I767-H870 VanDerWaalsContact CG1-CG 3.42Å; I767-H870 WeakPolarHBondContact CG1-ND1 3.49Å |
| 768 | D | 91.2 | Very high | 91.8 | Very high | 8 Ų | 8 | 31.4 Ų | 31.4 | 4% | 0.043 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.1 | -41.3 | -177.9 | -67.9 | -32.1 | 0 | 0 | 0 | 111.8 | I764 G770 V771 V772 S793 | I764-D768 PolarHBondContact O-N 2.71Å; D768-G770 VanDerWaalsContact C-N 3.32Å; D768-G770 PolarHBondContact O-N 2.74Å; D768-V771 PolarHBondContact O-N 3.06Å; D768-V772 WeakPolarHBondContact O-CG2 3.31Å; D768-V772 PolarHBondContact O-N 2.93Å; D768-S793 WeakPolarHBondContact OD1-CB 3.29Å; D768-S793 PolarHBondContact OD1-OG 3.05Å |
| 769 | L | 93.2 | Very high | 91.8 | Very high | 55 Ų | 55 | 27.8 Ų | 27.8 | 29% | 0.288 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -60 | -40.6 | 174.6 | -176.7 | 64 | 0 | 0 | 0 | 112.6 | L532 I536 A765 I767 G773 | L532-L769 HydrophobicContact CD2-CD2 4.09Å; I536-L769 HydrophobicContact CD1-CD2 4.4Å; I536-L769 HydrophobicContact CG1-CD1 4.39Å; I536-L769 HydrophobicContact CG1-CD2 3.73Å; I536-L769 HydrophobicContact CG1-CG 4.43Å; A765-L769 VanDerWaalsContact O-CB 3.24Å; A765-L769 WeakPolarHBondContact O-CB 3.44Å; A765-L769 PolarHBondContact O-N 3.11Å; I767-L769 VanDerWaalsContact C-N 3.3Å; I767-L769 PolarHBondContact O-N 2.89Å; L769-G773 PolarHBondContact O-N 2.75Å |
| 770 | G | 94.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -73.3 | -32.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y531 S535 S766 I767 D768 L774 | Y531-G770 VanDerWaalsContact OH-CA 3.29Å; Y531-G770 WeakPolarHBondContact OH-CA 3.27Å; S535-G770 WeakPolarHBondContact OG-CA 3.24Å; S766-G770 PolarHBondContact O-N 3.38Å; I767-G770 PolarHBondContact O-N 3.4Å; D768-G770 VanDerWaalsContact C-N 3.32Å; D768-G770 PolarHBondContact O-N 2.74Å; G770-L774 VanDerWaalsContact O-CB 3.31Å; G770-L774 WeakPolarHBondContact O-CB 3.49Å; G770-L774 WeakPolarHBondContact O-CG 3.15Å; G770-L774 PolarHBondContact O-N 3.09Å |
| 771 | V | 93.9 | Very high | 91.7 | Very high | 4 Ų | 4 | 26.8 Ų | 26.8 | 2% | 0.024 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.1 | -50.5 | 173.4 | 173.4 | 0 | 0 | 0 | 0 | 109.6 | I767 D768 G773 L774 M775 V863 L866 | I767-V771 HydrophobicContact CG2-CG2 4.2Å; I767-V771 WeakPolarHBondContact O-CG2 3.3Å; I767-V771 PolarHBondContact O-N 3.11Å; D768-V771 PolarHBondContact O-N 3.06Å; V771-G773 VanDerWaalsContact C-N 3.35Å; V771-G773 PolarHBondContact O-N 2.87Å; V771-L774 PolarHBondContact O-N 3.27Å; V771-M775 WeakPolarHBondContact O-CB 3.45Å; V771-M775 PolarHBondContact O-N 3.35Å; V771-V863 HydrophobicContact CG1-CG2 4.08Å; V771-V863 HydrophobicContact CG2-CG2 3.8Å; V771-L866 HydrophobicContact CG2-CD1 3.87Å |
| 772 | V | 92.4 | Very high | 91.6 | Very high | 29 Ų | 29 | 26.2 Ų | 26.2 | 18% | 0.176 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.8 | -42.5 | 177.8 | 176.5 | 0 | 0 | 0 | 0 | 111.5 | L542 D768 T776 M790 | L542-V772 HydrophobicContact CD1-CG1 4.33Å; L542-V772 HydrophobicContact CD2-CG1 4.48Å; D768-V772 WeakPolarHBondContact O-CG2 3.31Å; D768-V772 PolarHBondContact O-N 2.93Å; V772-T776 PolarHBondContact O-N 3.41Å; V772-T776 PolarHBondContact O-OG1 3.11Å; V772-M790 HydrophobicContact CG2-SD 3.93Å |
| 773 | G | 93.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.4 | -54.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F538 C539 L769 V771 M775 T776 E777 | F538-G773 WeakPolarHBondContact CB-O 3.12Å; C539-G773 PolarHBondContact SG-N 2.75Å; L769-G773 PolarHBondContact O-N 2.75Å; V771-G773 VanDerWaalsContact C-N 3.35Å; V771-G773 PolarHBondContact O-N 2.87Å; G773-M775 VanDerWaalsContact C-N 3.32Å; G773-M775 PolarHBondContact O-N 3.05Å; G773-T776 VanDerWaalsContact O-CB 3.32Å; G773-T776 WeakPolarHBondContact O-CB 3.3Å; G773-T776 PolarHBondContact O-N 3.46Å; G773-E777 PolarHBondContact O-N 2.82Å |
| 774 | L | 94.5 | Very high | 91.3 | Very high | 45 Ų | 45 | 24 Ų | 24 | 24% | 0.236 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -69.6 | -29.3 | -178 | -67.9 | 175.1 | 0 | 0 | 0 | 113 | F538 G770 V771 T776 E777 W778 L862 L866 | F538-L774 HydrophobicContact CD2-CD2 4.43Å; F538-L774 HydrophobicContact CE2-CD2 4.3Å; G770-L774 VanDerWaalsContact O-CB 3.31Å; G770-L774 WeakPolarHBondContact O-CB 3.49Å; G770-L774 WeakPolarHBondContact O-CG 3.15Å; G770-L774 PolarHBondContact O-N 3.09Å; V771-L774 PolarHBondContact O-N 3.27Å; L774-T776 VanDerWaalsContact C-N 3.27Å; L774-T776 PolarHBondContact O-N 3.44Å; L774-E777 PolarHBondContact O-N 2.86Å; L774-W778 WeakPolarHBondContact O-CB 3.26Å; L774-W778 PolarHBondContact O-N 2.96Å; L774-L862 HydrophobicContact CB-CD1 3.89Å; L774-L862 HydrophobicContact CB-CD2 3.97Å; L774-L862 HydrophobicContact CD1-CD2 3.86Å; L774-L866 HydrophobicContact CD1-CD1 4.16Å; L774-L866 HydrophobicContact CD1-CD2 4.39Å |
| 775 | M | 92.2 | Very high | 91.2 | Very high | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.02 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.1 | -42.9 | 172 | -179.5 | -179.4 | 79.2 | 0 | 0 | 111.2 | L542 V771 G773 W778 G779 I780 L782 T859 | L542-M775 HydrophobicContact CD1-CE 3.89Å; V771-M775 WeakPolarHBondContact O-CB 3.45Å; V771-M775 PolarHBondContact O-N 3.35Å; G773-M775 VanDerWaalsContact C-N 3.32Å; G773-M775 PolarHBondContact O-N 3.05Å; M775-W778 PolarHBondContact O-N 3.23Å; M775-G779 PolarHBondContact O-N 3.27Å; M775-I780 HydrophobicContact CG-CB 3.5Å; M775-I780 HydrophobicContact CG-CD1 4.2Å; M775-I780 HydrophobicContact CG-CG1 4.42Å; M775-I780 HydrophobicContact CG-CG2 3.59Å; M775-I780 PolarHBondContact O-N 3.06Å; M775-I780 HydrophobicContact SD-CG2 4.01Å; M775-L782 HydrophobicContact CE-CD1 4.06Å; M775-T859 HydrophobicContact CG-CG2 4.08Å; M775-T859 HydrophobicContact SD-CG2 4Å |
| 776 | T | 91 | Very high | 91.1 | Very high | 18 Ų | 18 | 21.7 Ų | 21.7 | 11% | 0.11 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.1 | -45.9 | 176.9 | -56.8 | 0 | 0 | 0 | 0 | 111.5 | N541 L542 V772 G773 L774 W778 G779 | N541-T776 HydrophobicContact CB-CG2 3.85Å; N541-T776 WeakPolarHBondContact O-CG2 3.4Å; L542-T776 VanDerWaalsContact CD1-OG1 3.23Å; L542-T776 WeakPolarHBondContact CD1-OG1 3.26Å; V772-T776 PolarHBondContact O-N 3.41Å; V772-T776 PolarHBondContact O-OG1 3.11Å; G773-T776 VanDerWaalsContact O-CB 3.32Å; G773-T776 WeakPolarHBondContact O-CB 3.3Å; G773-T776 PolarHBondContact O-N 3.46Å; L774-T776 VanDerWaalsContact C-N 3.27Å; L774-T776 PolarHBondContact O-N 3.44Å; T776-W778 VanDerWaalsContact C-N 3.3Å; T776-W778 PolarHBondContact O-N 3.26Å; T776-G779 PolarHBondContact O-N 3.47Å; T776-G779 VanDerWaalsContact O-N 3.13Å |
| 777 | E | 91.9 | Very high | 90.9 | Very high | 114 Ų | 114 | 21.5 Ų | 21.5 | 53% | 0.533 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -66.6 | -32.6 | 178.4 | -178.3 | 58 | -158.7 | 0 | 0 | 112.2 | F538 G773 L774 G779 | F538-E777 HydrophobicContact CD1-CB 4.06Å; F538-E777 HydrophobicContact CD1-CG 4.46Å; F538-E777 HydrophobicContact CE1-CB 4.08Å; F538-E777 HydrophobicContact CE1-CG 3.99Å; F538-E777 WeakPolarHBondContact CE1-OE2 3.26Å; F538-E777 HydrophobicContact CG-CB 4.45Å; F538-E777 HydrophobicContact CZ-CG 4.28Å; G773-E777 PolarHBondContact O-N 2.82Å; L774-E777 PolarHBondContact O-N 2.86Å; E777-G779 PolarHBondContact O-N 3.2Å |
| 778 | W | 91.2 | Very high | 90.8 | Very high | 101 Ų | 101 | 21.6 Ų | 21.6 | 38% | 0.383 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 5 | 175.4 | -78.4 | 16 | 0 | 0 | 0 | 114.2 | L774 M775 T776 I780 K858 L861 L862 | L774-W778 WeakPolarHBondContact O-CB 3.26Å; L774-W778 PolarHBondContact O-N 2.96Å; M775-W778 PolarHBondContact O-N 3.23Å; T776-W778 VanDerWaalsContact C-N 3.3Å; T776-W778 PolarHBondContact O-N 3.26Å; W778-I780 VanDerWaalsContact C-N 3.31Å; W778-I780 HydrophobicContact CB-CD1 4.47Å; W778-I780 PolarHBondContact O-N 3.44Å; W778-K858 HydrophobicContact CE3-CB 3.6Å; W778-K858 HydrophobicContact CE3-CD 3.82Å; W778-K858 HydrophobicContact CE3-CG 3.64Å; W778-K858 HydrophobicContact CZ3-CB 3.63Å; W778-K858 HydrophobicContact CZ3-CD 4.37Å; W778-K858 HydrophobicContact CZ3-CG 3.69Å; W778-K858 WeakPolarHBondContact CZ3-O 3.33Å; W778-L861 HydrophobicContact CH2-CD2 4.19Å; W778-L862 HydrophobicContact CD2-CD1 4.24Å; W778-L862 HydrophobicContact CD2-CD2 4.49Å; W778-L862 HydrophobicContact CE3-CD1 3.83Å; W778-L862 HydrophobicContact CE3-CD2 4.36Å; W778-L862 HydrophobicContact CE3-CG 4.07Å; W778-L862 HydrophobicContact CH2-CD2 3.73Å; W778-L862 HydrophobicContact CH2-CG 3.98Å; W778-L862 HydrophobicContact CZ2-CD2 3.84Å; W778-L862 HydrophobicContact CZ2-CG 4.49Å; W778-L862 HydrophobicContact CZ3-CD1 4.03Å; W778-L862 HydrophobicContact CZ3-CD2 3.99Å; W778-L862 HydrophobicContact CZ3-CG 3.73Å |
| 779 | G | 87.3 | Confident | 90.7 | Very high | 45 Ų | 45 | 21.3 Ų | 21.3 | 46% | 0.464 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 26 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | M775 T776 E777 | M775-G779 PolarHBondContact O-N 3.27Å; T776-G779 PolarHBondContact O-N 3.47Å; T776-G779 VanDerWaalsContact O-N 3.13Å; E777-G779 PolarHBondContact O-N 3.2Å |
| 780 | I | 89.8 | Confident | 90.5 | Very high | 4 Ų | 4 | 19.1 Ų | 19.1 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | trans | -93 | 125.6 | 174.6 | -59.7 | 170.3 | 0 | 0 | 0 | 107.6 | M775 W778 A855 K858 T859 | M775-I780 HydrophobicContact CG-CB 3.5Å; M775-I780 HydrophobicContact CG-CD1 4.2Å; M775-I780 HydrophobicContact CG-CG1 4.42Å; M775-I780 HydrophobicContact CG-CG2 3.59Å; M775-I780 PolarHBondContact O-N 3.06Å; M775-I780 HydrophobicContact SD-CG2 4.01Å; W778-I780 VanDerWaalsContact C-N 3.31Å; W778-I780 HydrophobicContact CB-CD1 4.47Å; W778-I780 PolarHBondContact O-N 3.44Å; I780-A855 HydrophobicContact CD1-CB 4.49Å; I780-A855 HydrophobicContact CG2-CB 4.13Å; I780-K858 HydrophobicContact CD1-CB 3.66Å; I780-K858 HydrophobicContact CD1-CD 3.83Å; I780-K858 HydrophobicContact CD1-CG 4.42Å; I780-K858 HydrophobicContact CG1-CD 4.34Å; I780-T859 HydrophobicContact CD1-CG2 3.93Å | ||
| 781 | N | 87.6 | Confident | 90.3 | Very high | 20 Ų | 20 | 19.1 Ų | 19.1 | 11% | 0.107 | 10% | 0.103 | C | C | . | . | trans | -79.2 | 154.5 | 177.9 | -64.6 | -17.4 | 0 | 0 | 0 | 110.5 | R543 D783 S786 Y851 | R543-N781 VanDerWaalsContact CB-OD1 3.29Å; R543-N781 WeakPolarHBondContact CB-OD1 3.41Å; R543-N781 CarbonylContact O-C 3.46Å; R543-N781 WeakPolarHBondContact O-CA 3.43Å; N781-D783 PolarHBondContact O-N 2.79Å; N781-S786 PolarHBondContact O-OG 3.47Å; N781-Y851 PolarHBondContact N-OH 3.02Å; N781-Y851 VanDerWaalsContact N-OH 3.14Å | ||
| 782 | L | 88 | Confident | 90 | Very high | 3 Ų | 3 | 19 Ų | 19 | 2% | 0.016 | 10% | 0.102 | C | C | . | . | B | Isolated β-bridge | trans | -72.6 | 93.9 | 167.5 | -168.4 | 74.7 | 0 | 0 | 0 | 109.4 | L542 R543 G545 I728 L729 V732 M775 S786 | L542-L782 HydrophobicContact CD1-CB 4.22Å; L542-L782 HydrophobicContact CD2-CB 4.26Å; L542-L782 HydrophobicContact CD2-CD2 4.06Å; L542-L782 HydrophobicContact CG-CB 4.26Å; R543-L782 PolarHBondContact O-N 3.46Å; G545-L782 PolarHBondContact N-O 3.46Å; I728-L782 HydrophobicContact CG2-CD2 3.94Å; I728-L782 HydrophobicContact CG2-CG 3.82Å; L729-L782 HydrophobicContact CB-CD2 4.16Å; L729-L782 HydrophobicContact CD1-CD2 3.71Å; V732-L782 HydrophobicContact CG1-CD1 4.28Å; V732-L782 HydrophobicContact CG1-CD2 4.29Å; V732-L782 HydrophobicContact CG2-CD1 4.23Å; V732-L782 HydrophobicContact CG2-CD2 4.43Å; M775-L782 HydrophobicContact CE-CD1 4.06Å; L782-S786 WeakPolarHBondContact CA-OG 3.36Å |
| 783 | D | 87.6 | Confident | 89.8 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -124.5 | 178.4 | 178.5 | 58.9 | 40.3 | 0 | 0 | 0 | 112.4 | L546 N781 V785 S786 M787 Y851 | L546-D783 HydrophobicContact CB-CB 3.71Å; L546-D783 HydrophobicContact CD1-CB 3.82Å; L546-D783 HydrophobicContact CG-CB 4.27Å; N781-D783 PolarHBondContact O-N 2.79Å; D783-V785 PolarHBondContact O-N 3.45Å; D783-V785 WeakPolarHBondContact OD1-CA 3.45Å; D783-V785 WeakPolarHBondContact OD1-CB 3.32Å; D783-V785 PolarHBondContact OD1-N 3.14Å; D783-S786 PolarHBondContact N-OG 3.46Å; D783-S786 PolarHBondContact O-N 3.14Å; D783-S786 PolarHBondContact O-OG 3.36Å; D783-S786 WeakPolarHBondContact OD1-CB 3.22Å; D783-S786 PolarHBondContact OD1-N 2.66Å; D783-S786 PolarHBondContact OD1-OG 3.22Å; D783-M787 WeakPolarHBondContact O-CB 3.47Å; D783-M787 PolarHBondContact O-N 3.34Å; D783-Y851 VanDerWaalsContact OD2-CE1 3.24Å; D783-Y851 WeakPolarHBondContact OD2-CE1 3.42Å; D783-Y851 PolarHBondContact OD2-OH 3.26Å | ||
| 784 | T | 87.7 | Confident | 89.4 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -56.9 | -33.7 | 177.1 | -64 | 0 | 0 | 0 | 0 | 113.5 | Y60 I399 A401 V402 Q724 I788 | Y60-T784 HydrophobicContact CD1-CG2 4.1Å; Y60-T784 HydrophobicContact CE1-CG2 4.47Å; I399-T784 HydrophobicContact CG2-CG2 3.89Å; A401-T784 HydrophobicContact CB-CG2 4.27Å; V402-T784 HydrophobicContact CG2-CG2 3.63Å; Q724-T784 PolarHBondContact NE2-OG1 2.93Å; T784-I788 PolarHBondContact O-N 3.28Å |
| 785 | V | 88.5 | Confident | 88.9 | Confident | 2 Ų | 2 | 15.5 Ų | 15.5 | 1% | 0.012 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -72.9 | -46.5 | 180 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | I333 D783 M787 I788 T789 M852 | I333-V785 HydrophobicContact CD1-CG2 4.24Å; D783-V785 PolarHBondContact O-N 3.45Å; D783-V785 WeakPolarHBondContact OD1-CA 3.45Å; D783-V785 WeakPolarHBondContact OD1-CB 3.32Å; D783-V785 PolarHBondContact OD1-N 3.14Å; V785-M787 VanDerWaalsContact C-N 3.28Å; V785-M787 PolarHBondContact O-N 3.24Å; V785-I788 WeakPolarHBondContact O-CB 3.47Å; V785-I788 PolarHBondContact O-N 3.47Å; V785-T789 PolarHBondContact O-N 3.48Å; V785-T789 VanDerWaalsContact O-N 3.12Å; V785-M852 HydrophobicContact CG1-CG 4.11Å; V785-M852 HydrophobicContact CG2-CB 4.43Å; V785-M852 HydrophobicContact CG2-CG 3.79Å; V785-M852 HydrophobicContact CG2-SD 4.4Å |
| 786 | S | 89.2 | Confident | 88.5 | Confident | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.1 | -38.7 | 175.7 | 75.9 | 0 | 0 | 0 | 0 | 111.7 | N781 L782 D783 I788 T789 M790 | N781-S786 PolarHBondContact O-OG 3.47Å; L782-S786 WeakPolarHBondContact CA-OG 3.36Å; D783-S786 PolarHBondContact N-OG 3.46Å; D783-S786 PolarHBondContact O-N 3.14Å; D783-S786 PolarHBondContact O-OG 3.36Å; D783-S786 WeakPolarHBondContact OD1-CB 3.22Å; D783-S786 PolarHBondContact OD1-N 2.66Å; D783-S786 PolarHBondContact OD1-OG 3.22Å; S786-I788 PolarHBondContact O-N 2.86Å; S786-T789 WeakPolarHBondContact CA-OG1 3.15Å; S786-T789 CarbonylContact O-C 3.45Å; S786-T789 PolarHBondContact O-N 3.39Å; S786-T789 PolarHBondContact O-OG1 2.95Å; S786-M790 WeakPolarHBondContact O-CB 3.35Å; S786-M790 PolarHBondContact O-N 3.23Å |
| 787 | M | 90.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -58.6 | -47.7 | 174.8 | 176.2 | -178.4 | 169.7 | 0 | 0 | 111.5 | T397 I399 V402 N731 V732 D783 V785 T789 M790 I791 | T397-M787 HydrophobicContact CG2-CE 3.31Å; I399-M787 HydrophobicContact CD1-SD 4.37Å; V402-M787 HydrophobicContact CG1-CE 4.08Å; V402-M787 HydrophobicContact CG2-CE 4.31Å; V402-M787 HydrophobicContact CG2-SD 4.1Å; N731-M787 HydrophobicContact CB-CE 4.3Å; V732-M787 HydrophobicContact CG2-CB 4.02Å; V732-M787 HydrophobicContact CG2-CG 3.81Å; V732-M787 HydrophobicContact CG2-SD 4.26Å; D783-M787 WeakPolarHBondContact O-CB 3.47Å; D783-M787 PolarHBondContact O-N 3.34Å; V785-M787 VanDerWaalsContact C-N 3.28Å; V785-M787 PolarHBondContact O-N 3.24Å; M787-T789 VanDerWaalsContact C-N 3.31Å; M787-T789 PolarHBondContact O-N 3.34Å; M787-M790 PolarHBondContact O-N 3.45Å; M787-I791 HydrophobicContact CE-CD1 4.34Å; M787-I791 HydrophobicContact CG-CD1 4.32Å; M787-I791 WeakPolarHBondContact O-CG1 3.36Å; M787-I791 PolarHBondContact O-N 2.98Å |
| 788 | I | 90.8 | Very high | 87.8 | Confident | 2 Ų | 2 | 9.6 Ų | 9.6 | 1% | 0.01 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -57.4 | -46.4 | 174.7 | -71.5 | 165.2 | 0 | 0 | 0 | 110.8 | I333 V402 F405 T784 V785 S786 M790 I791 M792 | I333-I788 HydrophobicContact CD1-CD1 3.46Å; I333-I788 VanDerWaalsContact CD1-CD1 3.46Å; I333-I788 HydrophobicContact CG1-CD1 4.1Å; V402-I788 HydrophobicContact CB-CG1 4.36Å; V402-I788 HydrophobicContact CG1-CG1 4.14Å; V402-I788 HydrophobicContact CG2-CD1 4.31Å; V402-I788 HydrophobicContact CG2-CG1 4.02Å; F405-I788 HydrophobicContact CB-CD1 4.13Å; F405-I788 HydrophobicContact CD1-CB 4.49Å; F405-I788 HydrophobicContact CD1-CG1 4.38Å; F405-I788 HydrophobicContact CD1-CG2 3.36Å; F405-I788 HydrophobicContact CD2-CG2 4.35Å; F405-I788 HydrophobicContact CE1-CG2 3.25Å; F405-I788 HydrophobicContact CE2-CG2 4.24Å; F405-I788 HydrophobicContact CG-CD1 4.2Å; F405-I788 HydrophobicContact CG-CG2 3.94Å; F405-I788 HydrophobicContact CZ-CG2 3.72Å; T784-I788 PolarHBondContact O-N 3.28Å; V785-I788 WeakPolarHBondContact O-CB 3.47Å; V785-I788 PolarHBondContact O-N 3.47Å; S786-I788 PolarHBondContact O-N 2.86Å; I788-M790 VanDerWaalsContact C-N 3.28Å; I788-M790 PolarHBondContact O-N 2.96Å; I788-I791 PolarHBondContact O-N 3.03Å; I788-M792 WeakPolarHBondContact O-CB 3.38Å; I788-M792 PolarHBondContact O-N 3.48Å; I788-M792 VanDerWaalsContact O-N 3.07Å |
| 789 | T | 90 | Very high | 87.6 | Confident | 2 Ų | 2 | 4.9 Ų | 4.9 | 1% | 0.012 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -71.3 | -23.1 | -179.1 | 60.8 | 0 | 0 | 0 | 0 | 114.1 | V785 S786 M787 M792 S793 F856 T859 | V785-T789 PolarHBondContact O-N 3.48Å; V785-T789 VanDerWaalsContact O-N 3.12Å; S786-T789 WeakPolarHBondContact CA-OG1 3.15Å; S786-T789 CarbonylContact O-C 3.45Å; S786-T789 PolarHBondContact O-N 3.39Å; S786-T789 PolarHBondContact O-OG1 2.95Å; M787-T789 VanDerWaalsContact C-N 3.31Å; M787-T789 PolarHBondContact O-N 3.34Å; T789-M792 HydrophobicContact CG2-CE 4.38Å; T789-M792 WeakPolarHBondContact O-CB 3.47Å; T789-M792 WeakPolarHBondContact O-CE 3.39Å; T789-S793 PolarHBondContact O-N 2.85Å; T789-F856 HydrophobicContact CG2-CB 4.34Å; T789-F856 HydrophobicContact CG2-CD2 3.31Å; T789-F856 HydrophobicContact CG2-CE2 3.78Å; T789-F856 HydrophobicContact CG2-CG 4.01Å; T789-T859 WeakPolarHBondContact CB-OG1 3.23Å; T789-T859 VanDerWaalsContact CG2-OG1 3.28Å; T789-T859 WeakPolarHBondContact CG2-OG1 3.3Å; T789-T859 WeakPolarHBondContact OG1-CB 3.27Å; T789-T859 PolarHBondContact OG1-OG1 2.79Å |
| 790 | M | 89 | Confident | 87.6 | Confident | 8 Ų | 8 | 3.1 Ų | 3.1 | 4% | 0.039 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -80.4 | -36.8 | 174.4 | -177.9 | -175.6 | 67.4 | 0 | 0 | 111.7 | V732 V736 V772 S786 M787 I788 M792 S793 I794 | V732-M790 HydrophobicContact CB-CE 3.67Å; V732-M790 HydrophobicContact CG1-CE 3.17Å; V732-M790 HydrophobicContact CG1-SD 3.93Å; V732-M790 HydrophobicContact CG2-CE 3.57Å; V736-M790 HydrophobicContact CG2-CE 3.81Å; V736-M790 HydrophobicContact CG2-CG 4.4Å; V736-M790 HydrophobicContact CG2-SD 3.89Å; V772-M790 HydrophobicContact CG2-SD 3.93Å; S786-M790 WeakPolarHBondContact O-CB 3.35Å; S786-M790 PolarHBondContact O-N 3.23Å; M787-M790 PolarHBondContact O-N 3.45Å; I788-M790 VanDerWaalsContact C-N 3.28Å; I788-M790 PolarHBondContact O-N 2.96Å; M790-M792 PolarHBondContact O-N 2.67Å; M790-S793 WeakPolarHBondContact O-CA 3.36Å; M790-S793 WeakPolarHBondContact O-CB 3.22Å; M790-S793 PolarHBondContact O-N 3.32Å; M790-I794 PolarHBondContact O-N 3.38Å |
| 791 | I | 89.8 | Confident | 87.6 | Confident | 1 Ų | 1 | 2.9 Ų | 2.9 | 1% | 0.005 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -55.8 | -45.8 | 167.8 | -69.1 | 165.1 | 0 | 0 | 0 | 109.9 | S390 F391 V402 E735 M787 I788 S793 I794 G795 | S390-I791 WeakPolarHBondContact O-CG2 3.36Å; F391-I791 HydrophobicContact CD1-CG2 4.08Å; F391-I791 HydrophobicContact CE1-CG2 4.34Å; V402-I791 HydrophobicContact CG1-CD1 3.89Å; E735-I791 HydrophobicContact CG-CD1 4.22Å; E735-I791 HydrophobicContact CG-CG1 3.7Å; M787-I791 HydrophobicContact CE-CD1 4.34Å; M787-I791 HydrophobicContact CG-CD1 4.32Å; M787-I791 WeakPolarHBondContact O-CG1 3.36Å; M787-I791 PolarHBondContact O-N 2.98Å; I788-I791 PolarHBondContact O-N 3.03Å; I791-S793 VanDerWaalsContact C-N 3.32Å; I791-S793 PolarHBondContact O-N 3.25Å; I791-I794 PolarHBondContact O-N 2.98Å; I791-G795 PolarHBondContact O-N 2.85Å |
| 792 | M | 88 | Confident | 87.6 | Confident | 0 Ų | 0 | 2.2 Ų | 2.2 | 0% | 0 | 1% | 0.012 | C | C | . | . | H | α-helix | trans | -62.1 | -35.7 | 174.7 | 176.8 | -161.2 | 76.6 | 0 | 0 | 112.8 | L340 F391 I788 T789 M790 I794 G795 F796 F856 V860 V863 | L340-M792 HydrophobicContact CD1-SD 3.65Å; L340-M792 HydrophobicContact CD2-CG 3.9Å; L340-M792 HydrophobicContact CD2-SD 3.32Å; L340-M792 WeakPolarHBondContact CD2-SD 3.25Å; L340-M792 HydrophobicContact CG-SD 4.04Å; F391-M792 HydrophobicContact CE1-CB 4.17Å; F391-M792 HydrophobicContact CZ-CB 3.95Å; F391-M792 HydrophobicContact CZ-CG 4.14Å; I788-M792 WeakPolarHBondContact O-CB 3.38Å; I788-M792 PolarHBondContact O-N 3.48Å; I788-M792 VanDerWaalsContact O-N 3.07Å; T789-M792 HydrophobicContact CG2-CE 4.38Å; T789-M792 WeakPolarHBondContact O-CB 3.47Å; T789-M792 WeakPolarHBondContact O-CE 3.39Å; M790-M792 PolarHBondContact O-N 2.67Å; M792-I794 VanDerWaalsContact C-N 3.31Å; M792-I794 PolarHBondContact O-N 2.98Å; M792-G795 PolarHBondContact O-N 3.42Å; M792-F796 HydrophobicContact CG-CD2 3.35Å; M792-F796 HydrophobicContact CG-CE2 3.14Å; M792-F796 HydrophobicContact CG-CG 4.28Å; M792-F796 HydrophobicContact CG-CZ 3.93Å; M792-F796 PolarHBondContact O-N 3.26Å; M792-F796 HydrophobicContact SD-CD2 4.1Å; M792-F796 HydrophobicContact SD-CE2 3.71Å; M792-F856 HydrophobicContact SD-CZ 4.33Å; M792-V860 HydrophobicContact CE-CB 3.97Å; M792-V860 HydrophobicContact CE-CG1 4.28Å; M792-V860 HydrophobicContact CE-CG2 3.25Å; M792-V860 HydrophobicContact SD-CG2 3.79Å; M792-V863 HydrophobicContact CE-CG2 4.47Å |
| 793 | S | 87.2 | Confident | 87.7 | Confident | 0 Ų | 0 | 2.5 Ų | 2.5 | 0% | 0 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -56 | -45 | 173.5 | -177.8 | 0 | 0 | 0 | 0 | 111.8 | D768 T789 M790 I791 G795 S797 | D768-S793 WeakPolarHBondContact OD1-CB 3.29Å; D768-S793 PolarHBondContact OD1-OG 3.05Å; T789-S793 PolarHBondContact O-N 2.85Å; M790-S793 WeakPolarHBondContact O-CA 3.36Å; M790-S793 WeakPolarHBondContact O-CB 3.22Å; M790-S793 PolarHBondContact O-N 3.32Å; I791-S793 VanDerWaalsContact C-N 3.32Å; I791-S793 PolarHBondContact O-N 3.25Å; S793-G795 PolarHBondContact O-N 2.96Å; S793-S797 WeakPolarHBondContact O-CB 3.5Å; S793-S797 PolarHBondContact O-N 2.81Å; S793-S797 PolarHBondContact O-OG 2.87Å |
| 794 | I | 85.8 | Confident | 87.8 | Confident | 1 Ų | 1 | 2.6 Ų | 2.6 | 1% | 0.005 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -62.1 | -45.7 | -178.9 | -59.8 | 166.8 | 0 | 0 | 0 | 110.4 | V736 M743 M790 I791 M792 S797 V798 | V736-I794 HydrophobicContact CG2-CD1 4.2Å; M743-I794 HydrophobicContact CG-CG2 3.98Å; M790-I794 PolarHBondContact O-N 3.38Å; I791-I794 PolarHBondContact O-N 2.98Å; M792-I794 VanDerWaalsContact C-N 3.31Å; M792-I794 PolarHBondContact O-N 2.98Å; I794-S797 PolarHBondContact O-OG 3.42Å; I794-V798 WeakPolarHBondContact O-CG2 3.47Å |
| 795 | G | 84 | Confident | 87.9 | Confident | 0 Ų | 0 | 2.6 Ų | 2.6 | 0% | 0 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -62.3 | -60.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I791 M792 S793 S797 V798 | I791-G795 PolarHBondContact O-N 2.85Å; M792-G795 PolarHBondContact O-N 3.42Å; S793-G795 PolarHBondContact O-N 2.96Å; G795-S797 PolarHBondContact O-N 2.98Å; G795-V798 WeakPolarHBondContact O-CB 3.45Å; G795-V798 PolarHBondContact O-N 2.96Å |
| 796 | F | 84.1 | Confident | 87.8 | Confident | 5 Ų | 5 | 2.6 Ų | 2.6 | 2% | 0.022 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -73.2 | -26 | -170.8 | -62.7 | -20.9 | 0 | 0 | 0 | 114.7 | L340 V344 D387 F391 M792 V798 D799 V863 | L340-F796 HydrophobicContact CD1-CE2 3.64Å; L340-F796 HydrophobicContact CD1-CZ 4.4Å; L340-F796 HydrophobicContact CD2-CE2 3.67Å; L340-F796 HydrophobicContact CD2-CZ 3.86Å; L340-F796 HydrophobicContact CG-CE2 3.63Å; L340-F796 HydrophobicContact CG-CZ 3.91Å; V344-F796 HydrophobicContact CB-CE1 4.33Å; V344-F796 HydrophobicContact CB-CZ 4.23Å; V344-F796 HydrophobicContact CG1-CD1 4.05Å; V344-F796 HydrophobicContact CG1-CE1 3.78Å; V344-F796 HydrophobicContact CG1-CZ 4.18Å; V344-F796 HydrophobicContact CG2-CD1 4.48Å; V344-F796 HydrophobicContact CG2-CD2 4.1Å; V344-F796 HydrophobicContact CG2-CE1 4.1Å; V344-F796 HydrophobicContact CG2-CE2 3.65Å; V344-F796 HydrophobicContact CG2-CZ 3.68Å; D387-F796 WeakPolarHBondContact OD1-CD1 3.39Å; F391-F796 HydrophobicContact CE2-CE1 4.41Å; F391-F796 HydrophobicContact CE2-CZ 4.45Å; F391-F796 HydrophobicContact CZ-CZ 4.43Å; M792-F796 HydrophobicContact CG-CD2 3.35Å; M792-F796 HydrophobicContact CG-CE2 3.14Å; M792-F796 HydrophobicContact CG-CG 4.28Å; M792-F796 HydrophobicContact CG-CZ 3.93Å; M792-F796 PolarHBondContact O-N 3.26Å; M792-F796 HydrophobicContact SD-CD2 4.1Å; M792-F796 HydrophobicContact SD-CE2 3.71Å; F796-V798 PolarHBondContact O-N 3.41Å; F796-D799 PolarHBondContact O-N 3.48Å; F796-V863 HydrophobicContact CB-CG1 4.3Å |
| 797 | S | 84.2 | Confident | 87.7 | Confident | 0 Ų | 0 | 2.7 Ų | 2.7 | 0% | 0 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -65.1 | -30.5 | 174.5 | 64.3 | 0 | 0 | 0 | 0 | 112.2 | S793 I794 G795 S801 | S793-S797 WeakPolarHBondContact O-CB 3.5Å; S793-S797 PolarHBondContact O-N 2.81Å; S793-S797 PolarHBondContact O-OG 2.87Å; I794-S797 PolarHBondContact O-OG 3.42Å; G795-S797 PolarHBondContact O-N 2.98Å; S797-S801 PolarHBondContact O-OG 3.19Å; S797-S801 VanDerWaalsContact O-OG 3.1Å |
| 798 | V | 83.1 | Confident | 87.6 | Confident | 7 Ų | 7 | 2.7 Ų | 2.7 | 4% | 0.042 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -69.2 | -36.9 | 175.7 | -178.7 | 0 | 0 | 0 | 0 | 110.5 | T386 M743 I764 I794 G795 F796 F800 S801 A802 | T386-V798 HydrophobicContact CG2-CB 3.67Å; T386-V798 HydrophobicContact CG2-CG1 3.84Å; T386-V798 HydrophobicContact CG2-CG2 3.85Å; M743-V798 HydrophobicContact CB-CG2 4.44Å; M743-V798 HydrophobicContact CG-CG2 3.95Å; M743-V798 HydrophobicContact SD-CG2 4.08Å; I764-V798 HydrophobicContact CD1-CB 4.22Å; I764-V798 HydrophobicContact CD1-CG1 4.33Å; I764-V798 HydrophobicContact CD1-CG2 3.38Å; I764-V798 HydrophobicContact CG1-CG2 3.81Å; I764-V798 HydrophobicContact CG2-CG2 4.33Å; I794-V798 WeakPolarHBondContact O-CG2 3.47Å; G795-V798 WeakPolarHBondContact O-CB 3.45Å; G795-V798 PolarHBondContact O-N 2.96Å; F796-V798 PolarHBondContact O-N 3.41Å; V798-F800 PolarHBondContact O-N 3.4Å; V798-S801 PolarHBondContact O-N 3.04Å; V798-A802 HydrophobicContact CG1-CB 4.03Å; V798-A802 WeakPolarHBondContact O-CB 3.29Å; V798-A802 PolarHBondContact O-N 3.27Å |
| 799 | D | 87.4 | Confident | 87.4 | Confident | 2 Ų | 2 | 3.1 Ų | 3.1 | 1% | 0.011 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -55.1 | -55.8 | -172.9 | -71.5 | -12.2 | 0 | 0 | 0 | 112.6 | R345 T383 F796 S801 H803 | R345-D799 IonicContact NH2-OD2 3.75Å; T383-D799 WeakPolarHBondContact CA-OD1 3.44Å; T383-D799 WeakPolarHBondContact CB-OD1 3.31Å; T383-D799 HydrophobicContact CG2-CB 3.99Å; T383-D799 VanDerWaalsContact CG2-OD1 3.23Å; T383-D799 WeakPolarHBondContact CG2-OD1 3.33Å; F796-D799 PolarHBondContact O-N 3.48Å; D799-S801 VanDerWaalsContact C-N 3.34Å; D799-S801 PolarHBondContact O-N 3.13Å; D799-H803 WeakPolarHBondContact O-CB 3.4Å; D799-H803 PolarHBondContact O-CD2 3.09Å; D799-H803 PolarHBondContact O-N 2.88Å; D799-H803 VanDerWaalsContact O-N 3.14Å |
| 800 | F | 88.5 | Confident | 87 | Confident | 8 Ų | 8 | 5.5 Ų | 5.5 | 4% | 0.035 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -64.7 | -40.2 | -179.4 | -53 | -51.4 | 0 | 0 | 0 | 112.1 | V798 I804 V831 I864 A871 | V798-F800 PolarHBondContact O-N 3.4Å; F800-I804 PolarHBondContact O-N 3.25Å; F800-V831 HydrophobicContact CB-CG1 4.12Å; F800-V831 HydrophobicContact CD1-CG1 3.79Å; F800-V831 HydrophobicContact CG-CG1 4.17Å; F800-I864 HydrophobicContact CE2-CD1 3.83Å; F800-I864 HydrophobicContact CE2-CG2 4.44Å; F800-I864 HydrophobicContact CZ-CD1 3.89Å; F800-I864 HydrophobicContact CZ-CG2 4.4Å; F800-A871 HydrophobicContact CB-CB 3.49Å; F800-A871 VanDerWaalsContact CB-CB 3.49Å |
| 801 | S | 89.7 | Confident | 86.7 | Confident | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -69.9 | -45.5 | -177.4 | -61.9 | 0 | 0 | 0 | 0 | 111.8 | S797 V798 D799 H803 I804 A805 L875 | S797-S801 PolarHBondContact O-OG 3.19Å; S797-S801 VanDerWaalsContact O-OG 3.1Å; V798-S801 PolarHBondContact O-N 3.04Å; D799-S801 VanDerWaalsContact C-N 3.34Å; D799-S801 PolarHBondContact O-N 3.13Å; S801-H803 PolarHBondContact O-N 3.09Å; S801-I804 PolarHBondContact O-N 3.49Å; S801-A805 VanDerWaalsContact O-CB 3.23Å; S801-A805 WeakPolarHBondContact O-CB 3.49Å; S801-A805 PolarHBondContact O-N 3.26Å; S801-L875 VanDerWaalsContact O-CD2 3.27Å; S801-L875 WeakPolarHBondContact O-CD2 3.26Å |
| 802 | A | 87.4 | Confident | 86.1 | Confident | 6 Ų | 6 | 12.6 Ų | 12.6 | 5% | 0.05 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -64.7 | -40.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I382 V798 I804 A805 H806 | I382-A802 HydrophobicContact CG2-CB 4.35Å; V798-A802 HydrophobicContact CG1-CB 4.03Å; V798-A802 WeakPolarHBondContact O-CB 3.29Å; V798-A802 PolarHBondContact O-N 3.27Å; A802-I804 PolarHBondContact O-N 3.43Å; A802-A805 PolarHBondContact O-N 3.05Å; A802-H806 WeakPolarHBondContact O-CB 3.44Å; A802-H806 PolarHBondContact O-N 2.68Å |
| 803 | H | 89 | Confident | 85.8 | Confident | 9 Ų | 9 | 16 Ų | 16 | 4% | 0.042 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -56.6 | -48.9 | 174.9 | -81.1 | -18.5 | 0 | 0 | 0 | 113 | L351 T383 D799 S801 A807 M827 | L351-H803 WeakPolarHBondContact CD2-CE1 3.48Å; T383-H803 WeakPolarHBondContact CG2-CE1 3.41Å; D799-H803 WeakPolarHBondContact O-CB 3.4Å; D799-H803 PolarHBondContact O-CD2 3.09Å; D799-H803 PolarHBondContact O-N 2.88Å; D799-H803 VanDerWaalsContact O-N 3.14Å; S801-H803 PolarHBondContact O-N 3.09Å; H803-A807 WeakPolarHBondContact O-CB 3.32Å; H803-A807 PolarHBondContact O-N 3.33Å; H803-A807 VanDerWaalsContact O-N 3.17Å; H803-M827 HydrophobicContact CB-CE 3.53Å |
| 804 | I | 90.2 | Very high | 85.3 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -72.7 | -40.2 | -179.7 | -70.5 | 179.7 | 0 | 0 | 0 | 111.2 | F800 S801 A802 A807 F808 M827 V831 A871 P876 | F800-I804 PolarHBondContact O-N 3.25Å; S801-I804 PolarHBondContact O-N 3.49Å; A802-I804 PolarHBondContact O-N 3.43Å; I804-A807 PolarHBondContact O-N 2.92Å; I804-F808 WeakPolarHBondContact O-CB 3.44Å; I804-F808 PolarHBondContact O-N 3.48Å; I804-M827 HydrophobicContact CG1-CB 3.74Å; I804-V831 HydrophobicContact CD1-CG2 4.41Å; I804-V831 HydrophobicContact CG1-CG2 4.48Å; I804-A871 VanDerWaalsContact CD1-C 3.47Å; I804-A871 HydrophobicContact CD1-CB 3.91Å; I804-A871 WeakPolarHBondContact CD1-O 3.44Å; I804-P876 HydrophobicContact CG2-CG 4.1Å |
| 805 | A | 89.6 | Confident | 85.3 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.9 | -44 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I751 V760 S801 A802 F808 V809 L875 L879 | I751-A805 HydrophobicContact CD1-CB 4.37Å; V760-A805 HydrophobicContact CG2-CB 3.43Å; V760-A805 VanDerWaalsContact CG2-CB 3.43Å; S801-A805 VanDerWaalsContact O-CB 3.23Å; S801-A805 WeakPolarHBondContact O-CB 3.49Å; S801-A805 PolarHBondContact O-N 3.26Å; A802-A805 PolarHBondContact O-N 3.05Å; A805-F808 WeakPolarHBondContact O-CB 3.36Å; A805-F808 PolarHBondContact O-N 3.32Å; A805-V809 WeakPolarHBondContact O-CG2 3.44Å; A805-V809 PolarHBondContact O-N 3.26Å; A805-V809 VanDerWaalsContact O-N 3.09Å; A805-L875 HydrophobicContact CB-CD2 4.49Å; A805-L879 HydrophobicContact CB-CD1 4.41Å |
| 806 | H | 87 | Confident | 85.4 | Confident | 3 Ų | 3 | 28.1 Ų | 28.1 | 1% | 0.014 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.3 | -47.7 | 176.6 | 179.9 | -110.3 | 0 | 0 | 0 | 111 | S379 A802 F808 V809 V810 | S379-H806 PolarHBondContact OG-ND1 2.91Å; A802-H806 WeakPolarHBondContact O-CB 3.44Å; A802-H806 PolarHBondContact O-N 2.68Å; H806-F808 VanDerWaalsContact C-N 3.28Å; H806-F808 PolarHBondContact O-N 3.43Å; H806-V809 PolarHBondContact O-N 3.49Å; H806-V810 WeakPolarHBondContact NE2-CG2 3.19Å; H806-V810 WeakPolarHBondContact O-CG2 3.19Å; H806-V810 PolarHBondContact O-N 3.33Å |
| 807 | A | 86.9 | Confident | 85.7 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.1 | -35.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | H803 I804 T811 A823 K826 M827 | H803-A807 WeakPolarHBondContact O-CB 3.32Å; H803-A807 PolarHBondContact O-N 3.33Å; H803-A807 VanDerWaalsContact O-N 3.17Å; I804-A807 PolarHBondContact O-N 2.92Å; A807-T811 PolarHBondContact O-N 3.41Å; A807-T811 PolarHBondContact O-OG1 3.16Å; A807-A823 HydrophobicContact CB-CB 4.14Å; A807-K826 HydrophobicContact CB-CD 4.22Å; A807-M827 HydrophobicContact CB-CG 3.36Å; A807-M827 HydrophobicContact CB-SD 4.12Å |
| 808 | F | 89.1 | Confident | 85.9 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 0% | 0.004 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.8 | -34.4 | 174.5 | 176.8 | -97.7 | 0 | 0 | 0 | 112.9 | I804 A805 H806 S816 R819 A820 A823 L879 V883 | I804-F808 WeakPolarHBondContact O-CB 3.44Å; I804-F808 PolarHBondContact O-N 3.48Å; A805-F808 WeakPolarHBondContact O-CB 3.36Å; A805-F808 PolarHBondContact O-N 3.32Å; H806-F808 VanDerWaalsContact C-N 3.28Å; H806-F808 PolarHBondContact O-N 3.43Å; F808-S816 WeakPolarHBondContact CE2-O 3.19Å; F808-R819 VanDerWaalsContact CD1-NH2 3.27Å; F808-R819 HydrophobicContact CD2-CB 3.64Å; F808-R819 HydrophobicContact CE2-CB 3.48Å; F808-R819 VanDerWaalsContact CE2-CB 3.48Å; F808-R819 HydrophobicContact CG-CB 4.49Å; F808-R819 HydrophobicContact CZ-CB 4.22Å; F808-R819 PolarHBondContact O-NE 3.34Å; F808-R819 PolarHBondContact O-NH2 2.92Å; F808-A820 HydrophobicContact CD2-CB 4.2Å; F808-A820 HydrophobicContact CE2-CB 4.03Å; F808-A823 HydrophobicContact CB-CB 3.92Å; F808-L879 HydrophobicContact CB-CD1 4.3Å; F808-L879 HydrophobicContact CD1-CB 4.32Å; F808-L879 HydrophobicContact CD1-CD1 4.09Å; F808-L879 HydrophobicContact CE1-CB 4.07Å; F808-L879 HydrophobicContact CE2-CB 4.31Å; F808-L879 HydrophobicContact CG-CD1 4.14Å; F808-L879 HydrophobicContact CZ-CB 4.08Å; F808-V883 HydrophobicContact CE1-CB 3.92Å; F808-V883 HydrophobicContact CE1-CG1 3.81Å; F808-V883 HydrophobicContact CZ-CB 4.3Å |
| 809 | V | 85.4 | Confident | 86.2 | Confident | 10 Ų | 10 | 33 Ų | 33 | 6% | 0.061 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -82.8 | -41.1 | -177.3 | 173.8 | 0 | 0 | 0 | 0 | 112.6 | I751 P752 H753 C756 A805 H806 T811 R885 | I751-V809 HydrophobicContact CG2-CG2 4.01Å; P752-V809 HydrophobicContact CB-CG1 3.69Å; P752-V809 HydrophobicContact CG-CG1 3.84Å; H753-V809 HydrophobicContact CB-CG1 4.28Å; H753-V809 HydrophobicContact CB-CG2 4.22Å; C756-V809 HydrophobicContact CB-CG2 3.89Å; A805-V809 WeakPolarHBondContact O-CG2 3.44Å; A805-V809 PolarHBondContact O-N 3.26Å; A805-V809 VanDerWaalsContact O-N 3.09Å; H806-V809 PolarHBondContact O-N 3.49Å; V809-T811 VanDerWaalsContact C-N 3.26Å; V809-T811 PolarHBondContact O-N 3.01Å; V809-R885 PolarHBondContact O-NH2 2.9Å |
| 810 | V | 82.3 | Confident | 86.3 | Confident | 53 Ų | 53 | 33 Ų | 33 | 32% | 0.321 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -66.4 | -27.3 | -179.8 | 172 | 0 | 0 | 0 | 0 | 112.3 | H806 | H806-V810 WeakPolarHBondContact NE2-CG2 3.19Å; H806-V810 WeakPolarHBondContact O-CG2 3.19Å; H806-V810 PolarHBondContact O-N 3.33Å |
| 811 | T | 82.5 | Confident | 86.5 | Confident | 18 Ų | 18 | 35.2 Ų | 35.2 | 11% | 0.11 | 18% | 0.183 | C | C | . | . | trans | -68.4 | 132 | -179.6 | -61.5 | 0 | 0 | 0 | 0 | 112.4 | A807 V809 L813 R822 R885 | A807-T811 PolarHBondContact O-N 3.41Å; A807-T811 PolarHBondContact O-OG1 3.16Å; V809-T811 VanDerWaalsContact C-N 3.26Å; V809-T811 PolarHBondContact O-N 3.01Å; T811-L813 VanDerWaalsContact C-N 3.3Å; T811-L813 HydrophobicContact CG2-CB 3.92Å; T811-L813 HydrophobicContact CG2-CD1 3.57Å; T811-L813 HydrophobicContact CG2-CG 3.52Å; T811-L813 PolarHBondContact O-N 3.3Å; T811-R822 HydrophobicContact CG2-CB 4.21Å; T811-R822 HydrophobicContact CG2-CG 3.95Å; T811-R885 PolarHBondContact O-NH2 3.32Å; T811-R885 VanDerWaalsContact O-NH2 3.17Å | ||
| 812 | D | 76.9 | Confident | 86.4 | Confident | 140 Ų | 140 | 39 Ų | 39 | 75% | 0.749 | 20% | 0.197 | S | C | * | . | trans | -82.6 | 4.9 | -177.2 | -75.6 | -38.7 | 0 | 0 | 0 | 115.9 | R885 | D812-R885 IonicContact OD1-NH1 2.83Š| ||
| 813 | L | 81.6 | Confident | 86.5 | Confident | 71 Ų | 71 | 38.8 Ų | 38.8 | 37% | 0.372 | 20% | 0.195 | S | C | . | . | trans | -64.9 | 144.9 | -179.4 | -64 | 170.6 | 0 | 0 | 0 | 111.4 | T811 E818 R819 R822 | T811-L813 VanDerWaalsContact C-N 3.3Å; T811-L813 HydrophobicContact CG2-CB 3.92Å; T811-L813 HydrophobicContact CG2-CD1 3.57Å; T811-L813 HydrophobicContact CG2-CG 3.52Å; T811-L813 PolarHBondContact O-N 3.3Å; L813-E818 HydrophobicContact CD1-CB 4.09Å; L813-E818 WeakPolarHBondContact CD1-O 3.36Å; L813-R819 HydrophobicContact CB-CG 3.73Å; L813-R819 VanDerWaalsContact O-CD 3.25Å; L813-R819 WeakPolarHBondContact O-CD 3.33Å; L813-R819 WeakPolarHBondContact O-CG 3.38Å; L813-R822 HydrophobicContact CD1-CB 3.86Å; L813-R822 HydrophobicContact CD1-CG 4.29Å | ||
| 814 | K | 76.5 | Confident | 86.6 | Confident | 196 Ų | 196 | 38.3 Ų | 38.3 | 85% | 0.852 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -80 | -42.7 | -177.1 | -66.5 | -177 | 179.8 | 179 | 0 | 113 | ||
| 815 | S | 86.2 | Confident | 86.5 | Confident | 52 Ų | 52 | 38.4 Ų | 38.4 | 36% | 0.364 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -77 | 130.4 | -178.4 | 176.2 | 0 | 0 | 0 | 0 | 110.6 | T817 E818 R819 | S815-T817 PolarHBondContact O-N 3.18Å; S815-T817 PolarHBondContact OG-N 2.75Å; S815-T817 PolarHBondContact OG-OG1 2.5Å; S815-E818 PolarHBondContact O-N 3.38Å; S815-R819 VanDerWaalsContact O-CG 3.31Å; S815-R819 WeakPolarHBondContact O-CG 3.44Å; S815-R819 PolarHBondContact O-N 2.96Å |
| 816 | S | 86.7 | Confident | 86.3 | Confident | 7 Ų | 7 | 39.3 Ų | 39.3 | 5% | 0.049 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.6 | -39.2 | 175.7 | -169.1 | 0 | 0 | 0 | 0 | 111.7 | F808 R819 A820 L879 S880 V883 | F808-S816 WeakPolarHBondContact CE2-O 3.19Å; S816-R819 WeakPolarHBondContact O-CB 3.27Å; S816-R819 PolarHBondContact O-N 3.38Å; S816-A820 PolarHBondContact O-N 3.34Å; S816-L879 PolarHBondContact OG-O 3.07Å; S816-S880 WeakPolarHBondContact CB-O 3.4Å; S816-S880 VanDerWaalsContact OG-CA 3.31Å; S816-S880 WeakPolarHBondContact OG-CA 3.47Å; S816-S880 PolarHBondContact OG-O 3Å; S816-S880 VanDerWaalsContact OG-O 3.08Å; S816-V883 PolarHBondContact OG-O 2.71Å |
| 817 | T | 88.7 | Confident | 86.4 | Confident | 33 Ų | 33 | 39.4 Ų | 39.4 | 20% | 0.202 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.6 | -42.8 | 179.7 | 64.9 | 0 | 0 | 0 | 0 | 112.3 | S815 A820 K821 | S815-T817 PolarHBondContact O-N 3.18Å; S815-T817 PolarHBondContact OG-N 2.75Å; S815-T817 PolarHBondContact OG-OG1 2.5Å; T817-A820 PolarHBondContact O-N 3.17Å; T817-K821 WeakPolarHBondContact O-CG 3.4Å; T817-K821 PolarHBondContact O-N 2.84Å |
| 818 | E | 89 | Confident | 86.6 | Confident | 81 Ų | 81 | 39.4 Ų | 39.4 | 38% | 0.379 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -70.3 | -34 | 177.4 | -65.8 | -57.3 | 132.5 | 0 | 0 | 111.9 | L813 S815 K821 R822 | L813-E818 HydrophobicContact CD1-CB 4.09Å; L813-E818 WeakPolarHBondContact CD1-O 3.36Å; S815-E818 PolarHBondContact O-N 3.38Å; E818-K821 PolarHBondContact O-N 3.08Å; E818-K821 IonicContact OE1-NZ 2.9Å; E818-K821 PolarHBondContact OE1-NZ 2.87Å; E818-R822 WeakPolarHBondContact O-CB 3.29Å; E818-R822 PolarHBondContact O-N 3.34Å |
| 819 | R | 90 | Very high | 86.7 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.008 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.9 | -43.9 | 170.6 | -68.7 | 168.6 | 64.7 | -157.6 | 0.9 | 111.3 | F808 L813 S815 S816 R822 A823 | F808-R819 VanDerWaalsContact CD1-NH2 3.27Å; F808-R819 HydrophobicContact CD2-CB 3.64Å; F808-R819 HydrophobicContact CE2-CB 3.48Å; F808-R819 VanDerWaalsContact CE2-CB 3.48Å; F808-R819 HydrophobicContact CG-CB 4.49Å; F808-R819 HydrophobicContact CZ-CB 4.22Å; F808-R819 PolarHBondContact O-NE 3.34Å; F808-R819 PolarHBondContact O-NH2 2.92Å; L813-R819 HydrophobicContact CB-CG 3.73Å; L813-R819 VanDerWaalsContact O-CD 3.25Å; L813-R819 WeakPolarHBondContact O-CD 3.33Å; L813-R819 WeakPolarHBondContact O-CG 3.38Å; S815-R819 VanDerWaalsContact O-CG 3.31Å; S815-R819 WeakPolarHBondContact O-CG 3.44Å; S815-R819 PolarHBondContact O-N 2.96Å; S816-R819 WeakPolarHBondContact O-CB 3.27Å; S816-R819 PolarHBondContact O-N 3.38Å; R819-R822 PolarHBondContact O-N 2.92Å; R819-A823 WeakPolarHBondContact O-CB 3.43Å; R819-A823 PolarHBondContact O-N 2.97Å |
| 820 | A | 90.1 | Very high | 86.9 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.008 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.8 | -45.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | M516 F808 S816 T817 R822 A823 I824 | M516-A820 HydrophobicContact CE-CB 3.54Å; M516-A820 HydrophobicContact SD-CB 3.75Å; F808-A820 HydrophobicContact CD2-CB 4.2Å; F808-A820 HydrophobicContact CE2-CB 4.03Å; S816-A820 PolarHBondContact O-N 3.34Å; T817-A820 PolarHBondContact O-N 3.17Å; A820-R822 VanDerWaalsContact C-N 3.29Å; A820-R822 PolarHBondContact O-N 3.44Å; A820-A823 PolarHBondContact O-N 2.97Å; A820-I824 WeakPolarHBondContact O-CB 3.39Å; A820-I824 WeakPolarHBondContact O-CD1 3.44Å; A820-I824 VanDerWaalsContact O-CG1 3.27Å; A820-I824 WeakPolarHBondContact O-CG1 3.36Å; A820-I824 PolarHBondContact O-N 3.32Å |
| 821 | K | 90.8 | Very high | 87.4 | Confident | 55 Ų | 55 | 40.7 Ų | 40.7 | 24% | 0.239 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.1 | -44.7 | 173.7 | -69.2 | -179.8 | -172.3 | 167.8 | 0 | 112 | A512 M516 T817 E818 I824 S825 | A512-K821 HydrophobicContact CB-CB 4.13Å; A512-K821 HydrophobicContact CB-CG 4.18Å; M516-K821 HydrophobicContact CB-CG 4.25Å; M516-K821 HydrophobicContact CG-CG 3.73Å; T817-K821 WeakPolarHBondContact O-CG 3.4Å; T817-K821 PolarHBondContact O-N 2.84Å; E818-K821 PolarHBondContact O-N 3.08Å; E818-K821 IonicContact OE1-NZ 2.9Å; E818-K821 PolarHBondContact OE1-NZ 2.87Å; K821-I824 PolarHBondContact O-N 2.98Å; K821-S825 WeakPolarHBondContact O-CB 3.47Å; K821-S825 PolarHBondContact O-N 2.91Å; K821-S825 PolarHBondContact O-OG 2.81Å |
| 822 | R | 88 | Confident | 87.8 | Confident | 78 Ų | 78 | 42.4 Ų | 42.4 | 29% | 0.294 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68.6 | -35.9 | 179.7 | -172.8 | 56.6 | 174.7 | 166.3 | 4.6 | 112.9 | E508 T811 L813 E818 R819 A820 S825 K826 | E508-R822 IonicContact OE1-NH1 3.82Å; E508-R822 PolarHBondContact OE1-NH1 3.18Å; T811-R822 HydrophobicContact CG2-CB 4.21Å; T811-R822 HydrophobicContact CG2-CG 3.95Å; L813-R822 HydrophobicContact CD1-CB 3.86Å; L813-R822 HydrophobicContact CD1-CG 4.29Å; E818-R822 WeakPolarHBondContact O-CB 3.29Å; E818-R822 PolarHBondContact O-N 3.34Å; R819-R822 PolarHBondContact O-N 2.92Å; A820-R822 VanDerWaalsContact C-N 3.29Å; A820-R822 PolarHBondContact O-N 3.44Å; R822-S825 PolarHBondContact O-OG 2.66Å; R822-K826 WeakPolarHBondContact O-CB 3.36Å; R822-K826 PolarHBondContact O-N 3.27Å |
| 823 | A | 90.3 | Very high | 88.6 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 2% | 0.017 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.9 | -46.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | A807 F808 R819 A820 K826 M827 | A807-A823 HydrophobicContact CB-CB 4.14Å; F808-A823 HydrophobicContact CB-CB 3.92Å; R819-A823 WeakPolarHBondContact O-CB 3.43Å; R819-A823 PolarHBondContact O-N 2.97Å; A820-A823 PolarHBondContact O-N 2.97Å; A823-K826 PolarHBondContact O-N 3.43Å; A823-M827 WeakPolarHBondContact O-CB 3.36Å; A823-M827 PolarHBondContact O-N 2.98Å |
| 824 | I | 91 | Very high | 89 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.6 | -53.3 | 175.8 | -69.9 | 164.6 | 0 | 0 | 0 | 110.6 | Y511 A512 L515 M516 A820 K821 K826 M827 T828 P876 | Y511-I824 HydrophobicContact CD1-CG2 3.51Å; Y511-I824 HydrophobicContact CE1-CG2 3.62Å; A512-I824 HydrophobicContact CB-CB 4.2Å; A512-I824 HydrophobicContact CB-CG2 3.84Å; L515-I824 HydrophobicContact CD2-CD1 3.74Å; M516-I824 HydrophobicContact CE-CD1 3.67Å; A820-I824 WeakPolarHBondContact O-CB 3.39Å; A820-I824 WeakPolarHBondContact O-CD1 3.44Å; A820-I824 VanDerWaalsContact O-CG1 3.27Å; A820-I824 WeakPolarHBondContact O-CG1 3.36Å; A820-I824 PolarHBondContact O-N 3.32Å; K821-I824 PolarHBondContact O-N 2.98Å; I824-K826 PolarHBondContact O-N 2.83Å; I824-M827 PolarHBondContact O-N 2.84Å; I824-T828 WeakPolarHBondContact CG2-OG1 3.41Å; I824-T828 VanDerWaalsContact O-CB 3.26Å; I824-T828 WeakPolarHBondContact O-CB 3.33Å; I824-T828 PolarHBondContact O-N 2.95Å; I824-T828 PolarHBondContact O-OG1 3.48Å; I824-T828 VanDerWaalsContact O-OG1 3.05Å; I824-P876 HydrophobicContact CD1-CB 3.77Å; I824-P876 HydrophobicContact CD1-CG 4.28Å; I824-P876 HydrophobicContact CG1-CB 3.98Å; I824-P876 HydrophobicContact CG1-CG 4.06Å |
| 825 | S | 87.1 | Confident | 89.8 | Confident | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.014 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.1 | -19.2 | -177.8 | 69.9 | 0 | 0 | 0 | 0 | 113.8 | Q504 K821 R822 | Q504-S825 WeakPolarHBondContact CG-O 3.42Å; Q504-S825 PolarHBondContact NE2-O 3.06Å; K821-S825 WeakPolarHBondContact O-CB 3.47Å; K821-S825 PolarHBondContact O-N 2.91Å; K821-S825 PolarHBondContact O-OG 2.81Å; R822-S825 PolarHBondContact O-OG 2.66Å |
| 826 | K | 85.4 | Confident | 90.2 | Very high | 19 Ų | 19 | 24.4 Ų | 24.4 | 8% | 0.083 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -93 | -39.5 | -179.6 | -176.9 | 177.1 | -178.3 | 159.6 | 0 | 113.4 | R358 E375 A807 R822 A823 I824 | R358-K826 VanDerWaalsContact NH2-CE 3.27Å; E375-K826 VanDerWaalsContact OE1-CE 3.24Å; E375-K826 WeakPolarHBondContact OE1-CE 3.32Å; E375-K826 IonicContact OE1-NZ 3.62Å; E375-K826 PolarHBondContact OE1-NZ 3.32Å; E375-K826 WeakPolarHBondContact OE2-CE 3.44Å; E375-K826 IonicContact OE2-NZ 3.94Å; E375-K826 PolarHBondContact OE2-NZ 3.02Å; A807-K826 HydrophobicContact CB-CD 4.22Å; R822-K826 WeakPolarHBondContact O-CB 3.36Å; R822-K826 PolarHBondContact O-N 3.27Å; A823-K826 PolarHBondContact O-N 3.43Å; I824-K826 PolarHBondContact O-N 2.83Å |
| 827 | M | 89.4 | Confident | 90.6 | Very high | 6 Ų | 6 | 24.1 Ų | 24.1 | 3% | 0.03 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -113.7 | -21.2 | -165.3 | -60.4 | -56.4 | -70.2 | 0 | 0 | 114 | L351 H803 I804 A807 A823 I824 W829 P830 V831 | L351-M827 HydrophobicContact CD1-CE 3.53Å; L351-M827 HydrophobicContact CD1-SD 4.22Å; H803-M827 HydrophobicContact CB-CE 3.53Å; I804-M827 HydrophobicContact CG1-CB 3.74Å; A807-M827 HydrophobicContact CB-CG 3.36Å; A807-M827 HydrophobicContact CB-SD 4.12Å; A823-M827 WeakPolarHBondContact O-CB 3.36Å; A823-M827 PolarHBondContact O-N 2.98Å; I824-M827 PolarHBondContact O-N 2.84Å; M827-W829 VanDerWaalsContact C-N 3.33Å; M827-W829 PolarHBondContact O-N 2.94Å; M827-P830 WeakPolarHBondContact O-CD 3.36Å; M827-P830 VanDerWaalsContact O-CG 3.26Å; M827-P830 WeakPolarHBondContact O-CG 3.32Å; M827-V831 WeakPolarHBondContact O-CB 3.14Å; M827-V831 WeakPolarHBondContact O-CG2 3.15Å; M827-V831 PolarHBondContact O-N 3.01Å |
| 828 | T | 91.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.006 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.8 | -37.5 | -176.6 | -63.4 | 0 | 0 | 0 | 0 | 112.7 | L507 I824 L832 I872 | L507-T828 HydrophobicContact CD1-CG2 4.15Å; L507-T828 HydrophobicContact CD2-CG2 3.57Å; I824-T828 WeakPolarHBondContact CG2-OG1 3.41Å; I824-T828 VanDerWaalsContact O-CB 3.26Å; I824-T828 WeakPolarHBondContact O-CB 3.33Å; I824-T828 PolarHBondContact O-N 2.95Å; I824-T828 PolarHBondContact O-OG1 3.48Å; I824-T828 VanDerWaalsContact O-OG1 3.05Å; T828-L832 HydrophobicContact CG2-CD1 3.89Å; T828-L832 HydrophobicContact CG2-CG 4.31Å; T828-L832 WeakPolarHBondContact O-CB 3.24Å; T828-L832 VanDerWaalsContact O-CG 3.29Å; T828-L832 WeakPolarHBondContact O-CG 3.4Å; T828-L832 PolarHBondContact O-N 3.27Å; T828-I872 HydrophobicContact CG2-CD1 4.1Å; T828-I872 HydrophobicContact CG2-CG1 4.04Å; T828-I872 HydrophobicContact CG2-CG2 3.8Å |
| 829 | W | 90.9 | Very high | 91.1 | Very high | 80 Ų | 80 | 21 Ų | 21 | 30% | 0.303 | 10% | 0.096 | S | C | . | . | H | α-helix | trans | -63.4 | -54.9 | 177.3 | -176.6 | -118 | 0 | 0 | 0 | 113.7 | A503 L507 M827 V831 L832 Q833 | A503-W829 HydrophobicContact CB-CD2 3.7Å; A503-W829 HydrophobicContact CB-CE3 3.66Å; A503-W829 HydrophobicContact CB-CG 4.32Å; A503-W829 HydrophobicContact CB-CH2 4.12Å; A503-W829 HydrophobicContact CB-CZ2 4.15Å; A503-W829 HydrophobicContact CB-CZ3 3.88Å; L507-W829 HydrophobicContact CD1-CB 3.74Å; M827-W829 VanDerWaalsContact C-N 3.33Å; M827-W829 PolarHBondContact O-N 2.94Å; W829-V831 VanDerWaalsContact C-N 3.28Å; W829-V831 PolarHBondContact O-N 3.28Å; W829-L832 PolarHBondContact O-N 3.15Å; W829-Q833 HydrophobicContact CD2-CG 4.19Å; W829-Q833 VanDerWaalsContact CE2-CD 3.49Å; W829-Q833 VanDerWaalsContact CE2-NE2 3.32Å; W829-Q833 HydrophobicContact CH2-CG 4.47Å; W829-Q833 HydrophobicContact CZ2-CG 4Å; W829-Q833 WeakPolarHBondContact O-CG 3.35Å; W829-Q833 PolarHBondContact O-N 3.35Å |
| 830 | P | 90.8 | Very high | 91.3 | Very high | 7 Ų | 7 | 23.5 Ų | 23.5 | 5% | 0.045 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.2 | -33.5 | 177.3 | 22.9 | -33 | 0 | 0 | 0 | 112.9 | F350 M827 Q833 G834 | F350-P830 HydrophobicContact CB-CB 4.47Å; M827-P830 WeakPolarHBondContact O-CD 3.36Å; M827-P830 VanDerWaalsContact O-CG 3.26Å; M827-P830 WeakPolarHBondContact O-CG 3.32Å; P830-Q833 PolarHBondContact O-N 3.38Å; P830-G834 PolarHBondContact O-N 2.96Å |
| 831 | V | 91.9 | Very high | 91.4 | Very high | 4 Ų | 4 | 23.4 Ų | 23.4 | 2% | 0.024 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.4 | -44 | 174.3 | 168.5 | 0 | 0 | 0 | 0 | 111.3 | F800 I804 M827 W829 G834 G835 M868 I872 | F800-V831 HydrophobicContact CB-CG1 4.12Å; F800-V831 HydrophobicContact CD1-CG1 3.79Å; F800-V831 HydrophobicContact CG-CG1 4.17Å; I804-V831 HydrophobicContact CD1-CG2 4.41Å; I804-V831 HydrophobicContact CG1-CG2 4.48Å; M827-V831 WeakPolarHBondContact O-CB 3.14Å; M827-V831 WeakPolarHBondContact O-CG2 3.15Å; M827-V831 PolarHBondContact O-N 3.01Å; W829-V831 VanDerWaalsContact C-N 3.28Å; W829-V831 PolarHBondContact O-N 3.28Å; V831-G834 PolarHBondContact O-N 3.36Å; V831-G835 PolarHBondContact O-N 2.78Å; V831-M868 HydrophobicContact CG1-CG 4.47Å; V831-I872 HydrophobicContact CG1-CD1 4.12Å; V831-I872 HydrophobicContact CG1-CG1 4.16Å |
| 832 | L | 92.5 | Very high | 91.4 | Very high | 54 Ų | 54 | 21 Ų | 21 | 28% | 0.283 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -63.6 | -42.5 | 174.8 | -76.7 | 169.4 | 0 | 0 | 0 | 111.9 | T828 W829 I836 M868 I872 | T828-L832 HydrophobicContact CG2-CD1 3.89Å; T828-L832 HydrophobicContact CG2-CG 4.31Å; T828-L832 WeakPolarHBondContact O-CB 3.24Å; T828-L832 VanDerWaalsContact O-CG 3.29Å; T828-L832 WeakPolarHBondContact O-CG 3.4Å; T828-L832 PolarHBondContact O-N 3.27Å; W829-L832 PolarHBondContact O-N 3.15Å; L832-I836 VanDerWaalsContact O-CB 3.31Å; L832-I836 WeakPolarHBondContact O-CB 3.35Å; L832-I836 WeakPolarHBondContact O-CD1 3.45Å; L832-I836 WeakPolarHBondContact O-CG1 3.42Å; L832-I836 PolarHBondContact O-N 3.48Å; L832-M868 HydrophobicContact CD2-SD 4.34Å; L832-I872 HydrophobicContact CD2-CD1 3.59Å; L832-I872 HydrophobicContact CG-CD1 3.75Å |
| 833 | Q | 91.7 | Very high | 91.7 | Very high | 9 Ų | 9 | 19.3 Ų | 19.3 | 4% | 0.042 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.1 | -48.2 | 177 | -69.9 | 179.4 | -49.9 | 0 | 0 | 111.2 | C284 F350 W829 P830 S837 | C284-Q833 PolarHBondContact O-NE2 3.3Å; C284-Q833 VanDerWaalsContact O-NE2 3.09Å; F350-Q833 HydrophobicContact CB-CB 4.29Å; F350-Q833 HydrophobicContact CD1-CB 4.37Å; F350-Q833 HydrophobicContact CD2-CB 3.67Å; F350-Q833 HydrophobicContact CE2-CB 3.99Å; F350-Q833 HydrophobicContact CG-CB 3.87Å; F350-Q833 HydrophobicContact CZ-CB 4.49Å; W829-Q833 HydrophobicContact CD2-CG 4.19Å; W829-Q833 VanDerWaalsContact CE2-CD 3.49Å; W829-Q833 VanDerWaalsContact CE2-NE2 3.32Å; W829-Q833 HydrophobicContact CH2-CG 4.47Å; W829-Q833 HydrophobicContact CZ2-CG 4Å; W829-Q833 WeakPolarHBondContact O-CG 3.35Å; W829-Q833 PolarHBondContact O-N 3.35Å; P830-Q833 PolarHBondContact O-N 3.38Å; Q833-S837 PolarHBondContact O-N 2.98Å; Q833-S837 PolarHBondContact O-OG 2.73Å |
| 834 | G | 91.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.9 | -51.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | P830 V831 I836 S837 T838 | P830-G834 PolarHBondContact O-N 2.96Å; V831-G834 PolarHBondContact O-N 3.36Å; G834-I836 PolarHBondContact O-N 2.58Å; G834-S837 VanDerWaalsContact C-OG 3.32Å; G834-S837 WeakPolarHBondContact CA-OG 3.47Å; G834-S837 PolarHBondContact O-N 2.76Å; G834-S837 PolarHBondContact O-OG 3.29Å; G834-T838 PolarHBondContact O-N 3.11Å; G834-T838 PolarHBondContact O-OG1 3.43Å; G834-T838 VanDerWaalsContact O-OG1 3.09Å |
| 835 | G | 93.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.1 | -39.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V831 S837 T838 I839 I864 | V831-G835 PolarHBondContact O-N 2.78Å; G835-S837 VanDerWaalsContact C-N 3.35Å; G835-S837 PolarHBondContact O-N 2.89Å; G835-T838 PolarHBondContact O-N 3.47Å; G835-I839 WeakPolarHBondContact O-CG1 3.45Å; G835-I839 PolarHBondContact O-N 2.86Å; G835-I864 WeakPolarHBondContact O-CG2 3.27Å |
| 836 | I | 94.6 | Very high | 91.8 | Very high | 72 Ų | 72 | 21.7 Ų | 21.7 | 37% | 0.369 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -65.4 | -38.9 | 174.3 | -66.2 | 168 | 0 | 0 | 0 | 110.7 | F280 L832 G834 T838 I839 L840 | F280-I836 HydrophobicContact CD2-CG2 4.49Å; F280-I836 HydrophobicContact CE1-CG2 4.37Å; F280-I836 HydrophobicContact CE2-CB 4.37Å; F280-I836 HydrophobicContact CE2-CG2 3.52Å; F280-I836 HydrophobicContact CZ-CB 3.81Å; F280-I836 HydrophobicContact CZ-CG2 3.44Å; F280-I836 VanDerWaalsContact CZ-CG2 3.44Å; L832-I836 VanDerWaalsContact O-CB 3.31Å; L832-I836 WeakPolarHBondContact O-CB 3.35Å; L832-I836 WeakPolarHBondContact O-CD1 3.45Å; L832-I836 WeakPolarHBondContact O-CG1 3.42Å; L832-I836 PolarHBondContact O-N 3.48Å; G834-I836 PolarHBondContact O-N 2.58Å; I836-T838 PolarHBondContact O-N 3.28Å; I836-I839 PolarHBondContact O-N 2.95Å; I836-L840 HydrophobicContact CG2-CD1 3.93Å; I836-L840 HydrophobicContact CG2-CG 4.22Å; I836-L840 WeakPolarHBondContact O-CB 3.38Å; I836-L840 VanDerWaalsContact O-CG 3.31Å; I836-L840 WeakPolarHBondContact O-CG 3.31Å; I836-L840 PolarHBondContact O-N 3.39Å |
| 837 | S | 93.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62 | -41.4 | 174.3 | 41.1 | 0 | 0 | 0 | 0 | 112.8 | L277 Q833 G834 G835 L840 G841 | L277-S837 VanDerWaalsContact CD2-O 3.31Å; L277-S837 WeakPolarHBondContact CD2-O 3.5Å; Q833-S837 PolarHBondContact O-N 2.98Å; Q833-S837 PolarHBondContact O-OG 2.73Å; G834-S837 VanDerWaalsContact C-OG 3.32Å; G834-S837 WeakPolarHBondContact CA-OG 3.47Å; G834-S837 PolarHBondContact O-N 2.76Å; G834-S837 PolarHBondContact O-OG 3.29Å; G835-S837 VanDerWaalsContact C-N 3.35Å; G835-S837 PolarHBondContact O-N 2.89Å; S837-L840 PolarHBondContact O-N 3.34Å; S837-G841 PolarHBondContact O-N 3.47Å |
| 838 | T | 92.9 | Very high | 91.7 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.012 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.8 | -43.4 | 177 | -48.2 | 0 | 0 | 0 | 0 | 111.2 | V344 G834 G835 I836 L840 G841 V842 V860 I864 | V344-T838 HydrophobicContact CG2-CG2 3.8Å; G834-T838 PolarHBondContact O-N 3.11Å; G834-T838 PolarHBondContact O-OG1 3.43Å; G834-T838 VanDerWaalsContact O-OG1 3.09Å; G835-T838 PolarHBondContact O-N 3.47Å; I836-T838 PolarHBondContact O-N 3.28Å; T838-L840 PolarHBondContact O-N 3.12Å; T838-G841 PolarHBondContact O-N 3.39Å; T838-V842 HydrophobicContact CG2-CG2 4.47Å; T838-V842 WeakPolarHBondContact O-CB 2.96Å; T838-V842 WeakPolarHBondContact O-CG2 3.49Å; T838-V842 PolarHBondContact O-N 3Å; T838-V860 HydrophobicContact CG2-CG1 4.43Å; T838-I864 HydrophobicContact CG2-CD1 3.75Å; T838-I864 HydrophobicContact CG2-CG1 3.79Å |
| 839 | I | 94.8 | Very high | 91.3 | Very high | 46 Ų | 46 | 32.4 Ų | 32.4 | 24% | 0.236 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.7 | -46 | 175.1 | -68 | 168.9 | 0 | 0 | 0 | 110.7 | G835 I836 V842 A843 L861 I864 V865 M868 | G835-I839 WeakPolarHBondContact O-CG1 3.45Å; G835-I839 PolarHBondContact O-N 2.86Å; I836-I839 PolarHBondContact O-N 2.95Å; I839-V842 PolarHBondContact O-N 3.42Å; I839-A843 WeakPolarHBondContact O-CA 3.14Å; I839-A843 WeakPolarHBondContact O-CB 3.22Å; I839-A843 PolarHBondContact O-N 2.89Å; I839-L861 HydrophobicContact CD1-CD1 4.26Å; I839-L861 HydrophobicContact CG1-CD1 3.98Å; I839-L861 HydrophobicContact CG2-CD1 4.07Å; I839-I864 HydrophobicContact CD1-CG2 4.03Å; I839-I864 HydrophobicContact CG1-CB 4.33Å; I839-I864 HydrophobicContact CG1-CG2 3.85Å; I839-V865 HydrophobicContact CD1-CG2 4.27Å; I839-M868 HydrophobicContact CD1-CE 3.78Å |
| 840 | L | 94.5 | Very high | 91.1 | Very high | 55 Ų | 55 | 28.8 Ų | 28.8 | 29% | 0.288 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -65.8 | -38.7 | 179.3 | -72.7 | 174.3 | 0 | 0 | 0 | 112.9 | I276 F280 I836 S837 T838 | I276-L840 HydrophobicContact CG2-CB 4.01Å; F280-L840 HydrophobicContact CB-CD1 3.95Å; F280-L840 HydrophobicContact CD1-CD1 4.12Å; F280-L840 HydrophobicContact CD2-CD1 3.33Å; F280-L840 HydrophobicContact CE1-CD1 4.5Å; F280-L840 HydrophobicContact CE2-CD1 3.78Å; F280-L840 HydrophobicContact CG-CD1 3.52Å; F280-L840 HydrophobicContact CZ-CD1 4.34Å; I836-L840 HydrophobicContact CG2-CD1 3.93Å; I836-L840 HydrophobicContact CG2-CG 4.22Å; I836-L840 WeakPolarHBondContact O-CB 3.38Å; I836-L840 VanDerWaalsContact O-CG 3.31Å; I836-L840 WeakPolarHBondContact O-CG 3.31Å; I836-L840 PolarHBondContact O-N 3.39Å; S837-L840 PolarHBondContact O-N 3.34Å; T838-L840 PolarHBondContact O-N 3.12Å |
| 841 | G | 92 | Very high | 91 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.9 | -40.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S837 T838 | S837-G841 PolarHBondContact O-N 3.47Å; T838-G841 PolarHBondContact O-N 3.39Å |
| 842 | V | 92.2 | Very high | 90.7 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.018 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -85.3 | -23.6 | -178 | 177.9 | 0 | 0 | 0 | 0 | 111.8 | L340 T838 I839 V844 L845 F857 V860 | L340-V842 HydrophobicContact CD1-CG2 4.49Å; T838-V842 HydrophobicContact CG2-CG2 4.47Å; T838-V842 WeakPolarHBondContact O-CB 2.96Å; T838-V842 WeakPolarHBondContact O-CG2 3.49Å; T838-V842 PolarHBondContact O-N 3Å; I839-V842 PolarHBondContact O-N 3.42Å; V842-V844 PolarHBondContact O-N 2.8Å; V842-V844 VanDerWaalsContact O-N 3.09Å; V842-L845 HydrophobicContact CG1-CD1 4.3Å; V842-L845 WeakPolarHBondContact O-CA 3.5Å; V842-L845 WeakPolarHBondContact O-CB 3.2Å; V842-L845 PolarHBondContact O-N 2.76Å; V842-F857 HydrophobicContact CG1-CB 4.31Å; V842-F857 HydrophobicContact CG1-CD2 3.66Å; V842-F857 HydrophobicContact CG1-CE2 4.48Å; V842-F857 HydrophobicContact CG1-CG 4.46Å; V842-F857 VanDerWaalsContact O-CD2 3.28Å; V842-F857 WeakPolarHBondContact O-CD2 3.33Å; V842-V860 HydrophobicContact CB-CG1 4.43Å; V842-V860 HydrophobicContact CG1-CB 4.06Å; V842-V860 HydrophobicContact CG1-CG1 4.12Å; V842-V860 HydrophobicContact CG1-CG2 4.48Å; V842-V860 HydrophobicContact CG2-CG1 3.96Å |
| 843 | A | 92.7 | Very high | 90.6 | Very high | 43 Ų | 43 | 28.2 Ų | 28.2 | 36% | 0.355 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -58.4 | -24.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | I839 L845 A846 | I839-A843 WeakPolarHBondContact O-CA 3.14Å; I839-A843 WeakPolarHBondContact O-CB 3.22Å; I839-A843 PolarHBondContact O-N 2.89Å; A843-L845 PolarHBondContact O-N 3.05Å; A843-A846 VanDerWaalsContact O-CB 3.25Å; A843-A846 WeakPolarHBondContact O-CB 3.32Å; A843-A846 PolarHBondContact O-N 2.77Å |
| 844 | V | 91.9 | Very high | 90.5 | Very high | 14 Ų | 14 | 30.4 Ų | 30.4 | 9% | 0.085 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -25.1 | 173.5 | -174.5 | 0 | 0 | 0 | 0 | 111.9 | R269 L272 C273 I276 V842 | R269-V844 HydrophobicContact CB-CG1 3.66Å; R269-V844 HydrophobicContact CG-CG1 3.85Å; L272-V844 HydrophobicContact CB-CG1 4.28Å; L272-V844 HydrophobicContact CD2-CG1 3.84Å; L272-V844 HydrophobicContact CG-CG1 4.1Å; L272-V844 HydrophobicContact CG-CG2 4.34Å; C273-V844 HydrophobicContact CB-CG2 4.21Å; I276-V844 HydrophobicContact CD1-CG2 3.68Å; V842-V844 PolarHBondContact O-N 2.8Å; V842-V844 VanDerWaalsContact O-N 3.09Å |
| 845 | L | 90 | Very high | 90.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -12.5 | 177.2 | -53.4 | -178.2 | 0 | 0 | 0 | 113.2 | L266 V336 F339 V842 A843 N847 L848 V853 F856 F857 | L266-L845 HydrophobicContact CD2-CD2 3.63Å; V336-L845 HydrophobicContact CG1-CD1 3.9Å; F339-L845 HydrophobicContact CD1-CD2 4.25Å; F339-L845 HydrophobicContact CE1-CD2 4.23Å; F339-L845 HydrophobicContact CE2-CD2 4.5Å; F339-L845 HydrophobicContact CG-CD2 4.4Å; F339-L845 HydrophobicContact CZ-CD2 4.35Å; V842-L845 HydrophobicContact CG1-CD1 4.3Å; V842-L845 WeakPolarHBondContact O-CA 3.5Å; V842-L845 WeakPolarHBondContact O-CB 3.2Å; V842-L845 PolarHBondContact O-N 2.76Å; A843-L845 PolarHBondContact O-N 3.05Å; L845-N847 VanDerWaalsContact C-N 3.31Å; L845-N847 PolarHBondContact O-N 2.66Å; L845-L848 HydrophobicContact CB-CD1 4.44Å; L845-L848 HydrophobicContact CD2-CD1 3.9Å; L845-L848 WeakPolarHBondContact O-CB 3.43Å; L845-L848 PolarHBondContact O-N 3.46Å; L845-V853 HydrophobicContact CB-CG1 3.78Å; L845-V853 HydrophobicContact CD1-CG1 4.3Å; L845-V853 HydrophobicContact CD2-CG1 4.13Å; L845-V853 HydrophobicContact CG-CG1 4.29Å; L845-F856 HydrophobicContact CD1-CD1 3.97Å; L845-F856 HydrophobicContact CD1-CE1 4.24Å; L845-F857 HydrophobicContact CB-CB 4.17Å |
| 846 | A | 90.1 | Very high | 90.2 | Very high | 40 Ų | 40 | 30.9 Ų | 30.9 | 33% | 0.331 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -30.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | A843 L848 F857 | A843-A846 VanDerWaalsContact O-CB 3.25Å; A843-A846 WeakPolarHBondContact O-CB 3.32Å; A843-A846 PolarHBondContact O-N 2.77Å; A846-L848 VanDerWaalsContact C-N 3.28Å; A846-L848 PolarHBondContact O-N 2.81Å; A846-F857 HydrophobicContact CB-CD1 3.92Å; A846-F857 HydrophobicContact CB-CD2 4.05Å; A846-F857 HydrophobicContact CB-CE1 3.62Å; A846-F857 HydrophobicContact CB-CE2 3.81Å; A846-F857 HydrophobicContact CB-CG 4.13Å; A846-F857 HydrophobicContact CB-CZ 3.57Å |
| 847 | N | 86.7 | Confident | 90.2 | Very high | 131 Ų | 131 | 29 Ų | 29 | 70% | 0.701 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | 29.6 | 178.7 | -163.8 | 64.3 | 0 | 0 | 0 | 111.7 | R269 L845 | R269-N847 PolarHBondContact NH2-O 3Å; L845-N847 VanDerWaalsContact C-N 3.31Å; L845-N847 PolarHBondContact O-N 2.66Å |
| 848 | L | 85 | Confident | 90.1 | Very high | 11 Ų | 11 | 31.6 Ų | 31.6 | 6% | 0.058 | 17% | 0.173 | C | C | . | . | trans | -97.4 | 124.8 | 171.7 | -87.5 | 164 | 0 | 0 | 0 | 109.7 | H265 L266 L845 A846 S850 V853 | H265-L848 HydrophobicContact CB-CD2 3.91Å; L266-L848 HydrophobicContact CD2-CD1 3.53Å; L266-L848 HydrophobicContact CG-CD1 4.36Å; L845-L848 HydrophobicContact CB-CD1 4.44Å; L845-L848 HydrophobicContact CD2-CD1 3.9Å; L845-L848 WeakPolarHBondContact O-CB 3.43Å; L845-L848 PolarHBondContact O-N 3.46Å; A846-L848 VanDerWaalsContact C-N 3.28Å; A846-L848 PolarHBondContact O-N 2.81Å; L848-S850 PolarHBondContact O-N 2.97Å; L848-V853 HydrophobicContact CB-CB 4.15Å; L848-V853 HydrophobicContact CB-CG1 3.99Å; L848-V853 HydrophobicContact CD1-CB 4.08Å; L848-V853 HydrophobicContact CD1-CG1 3.35Å; L848-V853 HydrophobicContact CD1-CG2 4.28Å; L848-V853 HydrophobicContact CG-CG1 4.27Å | ||
| 849 | D | 83.7 | Confident | 90.1 | Very high | 109 Ų | 109 | 31.5 Ų | 31.5 | 58% | 0.583 | 17% | 0.173 | S | C | * | . | trans | -78.5 | 45.7 | 180 | -76 | -25.5 | 0 | 0 | 0 | 111.3 | V553 S554 | V553-D849 WeakPolarHBondContact CG1-O 3.47Å; S554-D849 VanDerWaalsContact CB-O 3.29Å; S554-D849 WeakPolarHBondContact CB-O 3.23Å; S554-D849 PolarHBondContact N-O 3.03Å; S554-D849 VanDerWaalsContact OG-CB 3.26Å; S554-D849 WeakPolarHBondContact OG-CB 3.41Å; S554-D849 PolarHBondContact OG-O 3.5Å | ||
| 850 | S | 86.6 | Confident | 90 | Very high | 4 Ų | 4 | 29.4 Ų | 29.4 | 3% | 0.028 | 16% | 0.162 | C | C | . | . | B | Isolated β-bridge | trans | -137.8 | 127.7 | -176.9 | 173.5 | 0 | 0 | 0 | 0 | 110 | N262 L848 M852 V853 L854 | N262-S850 WeakPolarHBondContact OD1-CB 3.48Å; N262-S850 PolarHBondContact OD1-OG 3.19Å; L848-S850 PolarHBondContact O-N 2.97Å; S850-M852 VanDerWaalsContact C-N 3.35Å; S850-M852 PolarHBondContact O-N 3.42Å; S850-V853 PolarHBondContact O-N 3.2Å; S850-L854 VanDerWaalsContact O-CB 3.23Å; S850-L854 WeakPolarHBondContact O-CB 3.49Å; S850-L854 PolarHBondContact O-N 2.66Å |
| 851 | Y | 87.8 | Confident | 90.1 | Very high | 49 Ų | 49 | 28.7 Ų | 28.7 | 19% | 0.192 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.1 | -45.4 | 179.6 | 167.7 | -85.3 | 0 | 0 | 0 | 111.1 | L546 N550 N781 D783 V853 L854 A855 | L546-Y851 HydrophobicContact CD1-CE1 4.42Å; N550-Y851 HydrophobicContact CB-CD1 3.58Å; N550-Y851 HydrophobicContact CB-CE1 3.81Å; N550-Y851 HydrophobicContact CB-CG 4.07Å; N550-Y851 VanDerWaalsContact O-CD1 3.32Å; N550-Y851 WeakPolarHBondContact O-CD1 3.32Å; N781-Y851 PolarHBondContact N-OH 3.02Å; N781-Y851 VanDerWaalsContact N-OH 3.14Å; D783-Y851 VanDerWaalsContact OD2-CE1 3.24Å; D783-Y851 WeakPolarHBondContact OD2-CE1 3.42Å; D783-Y851 PolarHBondContact OD2-OH 3.26Å; Y851-V853 VanDerWaalsContact C-N 3.31Å; Y851-V853 PolarHBondContact O-N 2.84Å; Y851-L854 PolarHBondContact O-N 3.22Å; Y851-A855 HydrophobicContact CE1-CB 4.25Å; Y851-A855 WeakPolarHBondContact O-CB 3.46Å; Y851-A855 PolarHBondContact O-N 3.45Å |
| 852 | M | 86.5 | Confident | 90.2 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.02 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -53.9 | -49 | 179.2 | 172.3 | 176.4 | 67.9 | 0 | 0 | 111.4 | N262 I333 V785 S850 F856 | N262-M852 HydrophobicContact CB-CE 4.09Å; I333-M852 HydrophobicContact CD1-SD 4.4Å; V785-M852 HydrophobicContact CG1-CG 4.11Å; V785-M852 HydrophobicContact CG2-CB 4.43Å; V785-M852 HydrophobicContact CG2-CG 3.79Å; V785-M852 HydrophobicContact CG2-SD 4.4Å; S850-M852 VanDerWaalsContact C-N 3.35Å; S850-M852 PolarHBondContact O-N 3.42Å; M852-F856 PolarHBondContact O-N 3.37Å; M852-F856 VanDerWaalsContact O-N 3.14Å |
| 853 | V | 88.9 | Confident | 90.3 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -74.7 | -37.2 | -177.4 | -175.8 | 0 | 0 | 0 | 0 | 111.9 | L266 L845 L848 S850 Y851 F856 F857 | L266-V853 HydrophobicContact CD1-CG2 4.33Å; L266-V853 HydrophobicContact CD2-CG1 4.2Å; L266-V853 HydrophobicContact CD2-CG2 4.25Å; L845-V853 HydrophobicContact CB-CG1 3.78Å; L845-V853 HydrophobicContact CD1-CG1 4.3Å; L845-V853 HydrophobicContact CD2-CG1 4.13Å; L845-V853 HydrophobicContact CG-CG1 4.29Å; L848-V853 HydrophobicContact CB-CB 4.15Å; L848-V853 HydrophobicContact CB-CG1 3.99Å; L848-V853 HydrophobicContact CD1-CB 4.08Å; L848-V853 HydrophobicContact CD1-CG1 3.35Å; L848-V853 HydrophobicContact CD1-CG2 4.28Å; L848-V853 HydrophobicContact CG-CG1 4.27Å; S850-V853 PolarHBondContact O-N 3.2Å; Y851-V853 VanDerWaalsContact C-N 3.31Å; Y851-V853 PolarHBondContact O-N 2.84Å; V853-F856 WeakPolarHBondContact O-CB 3.47Å; V853-F856 PolarHBondContact O-N 2.96Å; V853-F857 PolarHBondContact O-N 3.48Å |
| 854 | L | 89.9 | Confident | 90.4 | Very high | 55 Ų | 55 | 27.2 Ų | 27.2 | 29% | 0.288 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -67.1 | -40.1 | 177.4 | -175.5 | 66.9 | 0 | 0 | 0 | 111.8 | S850 Y851 F856 F857 K858 | S850-L854 VanDerWaalsContact O-CB 3.23Å; S850-L854 WeakPolarHBondContact O-CB 3.49Å; S850-L854 PolarHBondContact O-N 2.66Å; Y851-L854 PolarHBondContact O-N 3.22Å; L854-F856 VanDerWaalsContact C-N 3.31Å; L854-F857 HydrophobicContact CD1-CD1 4.16Å; L854-F857 PolarHBondContact O-N 3.47Å; L854-K858 HydrophobicContact CD1-CG 4.45Å; L854-K858 HydrophobicContact CG-CD 4.14Å; L854-K858 HydrophobicContact CG-CG 4.4Å; L854-K858 WeakPolarHBondContact O-CB 3.49Å; L854-K858 VanDerWaalsContact O-CG 3.27Å; L854-K858 WeakPolarHBondContact O-CG 3.47Å; L854-K858 PolarHBondContact O-N 3Å |
| 855 | A | 89.9 | Confident | 90.5 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 3% | 0.025 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.1 | -46.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | I780 Y851 K858 T859 | I780-A855 HydrophobicContact CD1-CB 4.49Å; I780-A855 HydrophobicContact CG2-CB 4.13Å; Y851-A855 HydrophobicContact CE1-CB 4.25Å; Y851-A855 WeakPolarHBondContact O-CB 3.46Å; Y851-A855 PolarHBondContact O-N 3.45Å; A855-K858 PolarHBondContact O-N 2.76Å; A855-T859 WeakPolarHBondContact O-CG2 3.31Å; A855-T859 PolarHBondContact O-N 3.05Å; A855-T859 PolarHBondContact O-OG1 2.91Å |
| 856 | F | 90.7 | Very high | 90.8 | Very high | 7 Ų | 7 | 30.4 Ų | 30.4 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.8 | -50.9 | 174.9 | -173 | -83.6 | 0 | 0 | 0 | 112.7 | V336 L340 F405 T789 M792 L845 M852 V853 L854 K858 T859 V860 | V336-F856 HydrophobicContact CG1-CD1 3.46Å; V336-F856 VanDerWaalsContact CG1-CD1 3.46Å; V336-F856 HydrophobicContact CG1-CD2 4.06Å; V336-F856 HydrophobicContact CG1-CE1 3.29Å; V336-F856 HydrophobicContact CG1-CE2 3.92Å; V336-F856 HydrophobicContact CG1-CG 3.85Å; V336-F856 HydrophobicContact CG1-CZ 3.54Å; L340-F856 HydrophobicContact CB-CZ 4.34Å; L340-F856 HydrophobicContact CD1-CZ 4.3Å; L340-F856 HydrophobicContact CD2-CZ 4.13Å; L340-F856 HydrophobicContact CG-CZ 4.5Å; F405-F856 HydrophobicContact CZ-CE2 4.5Å; T789-F856 HydrophobicContact CG2-CB 4.34Å; T789-F856 HydrophobicContact CG2-CD2 3.31Å; T789-F856 HydrophobicContact CG2-CE2 3.78Å; T789-F856 HydrophobicContact CG2-CG 4.01Å; M792-F856 HydrophobicContact SD-CZ 4.33Å; L845-F856 HydrophobicContact CD1-CD1 3.97Å; L845-F856 HydrophobicContact CD1-CE1 4.24Å; M852-F856 PolarHBondContact O-N 3.37Å; M852-F856 VanDerWaalsContact O-N 3.14Å; V853-F856 WeakPolarHBondContact O-CB 3.47Å; V853-F856 PolarHBondContact O-N 2.96Å; L854-F856 VanDerWaalsContact C-N 3.31Å; F856-K858 VanDerWaalsContact C-N 3.33Å; F856-K858 PolarHBondContact O-N 2.92Å; F856-T859 PolarHBondContact O-OG1 2.81Å; F856-V860 HydrophobicContact CD1-CG2 3.79Å; F856-V860 HydrophobicContact CE1-CG2 3.55Å; F856-V860 HydrophobicContact CE2-CG2 4.45Å; F856-V860 HydrophobicContact CG-CG2 4.35Å; F856-V860 HydrophobicContact CZ-CG2 3.91Å; F856-V860 WeakPolarHBondContact O-CB 3.33Å; F856-V860 WeakPolarHBondContact O-CG2 3.48Å; F856-V860 PolarHBondContact O-N 3.23Å |
| 857 | F | 92.9 | Very high | 91 | Very high | 32 Ų | 32 | 28.5 Ų | 28.5 | 14% | 0.14 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -55.4 | -49.4 | 176.9 | 163.4 | -104.8 | 0 | 0 | 0 | 111.8 | V842 L845 A846 V853 L854 L861 | V842-F857 HydrophobicContact CG1-CB 4.31Å; V842-F857 HydrophobicContact CG1-CD2 3.66Å; V842-F857 HydrophobicContact CG1-CE2 4.48Å; V842-F857 HydrophobicContact CG1-CG 4.46Å; V842-F857 VanDerWaalsContact O-CD2 3.28Å; V842-F857 WeakPolarHBondContact O-CD2 3.33Å; L845-F857 HydrophobicContact CB-CB 4.17Å; A846-F857 HydrophobicContact CB-CD1 3.92Å; A846-F857 HydrophobicContact CB-CD2 4.05Å; A846-F857 HydrophobicContact CB-CE1 3.62Å; A846-F857 HydrophobicContact CB-CE2 3.81Å; A846-F857 HydrophobicContact CB-CG 4.13Å; A846-F857 HydrophobicContact CB-CZ 3.57Å; V853-F857 PolarHBondContact O-N 3.48Å; L854-F857 HydrophobicContact CD1-CD1 4.16Å; L854-F857 PolarHBondContact O-N 3.47Å; F857-L861 HydrophobicContact CE1-CD2 4.26Å; F857-L861 HydrophobicContact CZ-CD2 3.86Å; F857-L861 VanDerWaalsContact O-CB 3.27Å; F857-L861 WeakPolarHBondContact O-CB 3.43Å; F857-L861 PolarHBondContact O-N 3.48Å |
| 858 | K | 93.3 | Very high | 91.3 | Very high | 55 Ų | 55 | 23.3 Ų | 23.3 | 24% | 0.239 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.4 | -49.4 | -176.6 | -84.3 | -179.2 | 178.3 | -178.3 | 0 | 112 | W778 I780 L854 A855 F856 L861 L862 | W778-K858 HydrophobicContact CE3-CB 3.6Å; W778-K858 HydrophobicContact CE3-CD 3.82Å; W778-K858 HydrophobicContact CE3-CG 3.64Å; W778-K858 HydrophobicContact CZ3-CB 3.63Å; W778-K858 HydrophobicContact CZ3-CD 4.37Å; W778-K858 HydrophobicContact CZ3-CG 3.69Å; W778-K858 WeakPolarHBondContact CZ3-O 3.33Å; I780-K858 HydrophobicContact CD1-CB 3.66Å; I780-K858 HydrophobicContact CD1-CD 3.83Å; I780-K858 HydrophobicContact CD1-CG 4.42Å; I780-K858 HydrophobicContact CG1-CD 4.34Å; L854-K858 HydrophobicContact CD1-CG 4.45Å; L854-K858 HydrophobicContact CG-CD 4.14Å; L854-K858 HydrophobicContact CG-CG 4.4Å; L854-K858 WeakPolarHBondContact O-CB 3.49Å; L854-K858 VanDerWaalsContact O-CG 3.27Å; L854-K858 WeakPolarHBondContact O-CG 3.47Å; L854-K858 PolarHBondContact O-N 3Å; A855-K858 PolarHBondContact O-N 2.76Å; F856-K858 VanDerWaalsContact C-N 3.33Å; F856-K858 PolarHBondContact O-N 2.92Å; K858-L861 PolarHBondContact O-N 3.24Å; K858-L862 WeakPolarHBondContact O-CG 3.25Å; K858-L862 PolarHBondContact O-N 3.42Å |
| 859 | T | 93 | Very high | 91.8 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.5 | -42.4 | -179.1 | 54.1 | 0 | 0 | 0 | 0 | 111.4 | M775 I780 T789 A855 F856 L861 L862 V863 | M775-T859 HydrophobicContact CG-CG2 4.08Å; M775-T859 HydrophobicContact SD-CG2 4Å; I780-T859 HydrophobicContact CD1-CG2 3.93Å; T789-T859 WeakPolarHBondContact CB-OG1 3.23Å; T789-T859 VanDerWaalsContact CG2-OG1 3.28Å; T789-T859 WeakPolarHBondContact CG2-OG1 3.3Å; T789-T859 WeakPolarHBondContact OG1-CB 3.27Å; T789-T859 PolarHBondContact OG1-OG1 2.79Å; A855-T859 WeakPolarHBondContact O-CG2 3.31Å; A855-T859 PolarHBondContact O-N 3.05Å; A855-T859 PolarHBondContact O-OG1 2.91Å; F856-T859 PolarHBondContact O-OG1 2.81Å; T859-L861 VanDerWaalsContact C-N 3.31Å; T859-L861 PolarHBondContact O-N 2.89Å; T859-L862 WeakPolarHBondContact O-CB 3.46Å; T859-L862 PolarHBondContact O-N 3.38Å; T859-L862 VanDerWaalsContact O-N 3.16Å; T859-V863 VanDerWaalsContact O-CG2 3.3Å; T859-V863 WeakPolarHBondContact O-CG2 3.4Å; T859-V863 PolarHBondContact O-N 2.71Å |
| 860 | V | 92.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.012 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.4 | -44 | 174.5 | -179.9 | 0 | 0 | 0 | 0 | 110.9 | L340 M792 T838 V842 F856 L862 V863 I864 | L340-V860 HydrophobicContact CD1-CG1 4.05Å; L340-V860 HydrophobicContact CD1-CG2 4.29Å; M792-V860 HydrophobicContact CE-CB 3.97Å; M792-V860 HydrophobicContact CE-CG1 4.28Å; M792-V860 HydrophobicContact CE-CG2 3.25Å; M792-V860 HydrophobicContact SD-CG2 3.79Å; T838-V860 HydrophobicContact CG2-CG1 4.43Å; V842-V860 HydrophobicContact CB-CG1 4.43Å; V842-V860 HydrophobicContact CG1-CB 4.06Å; V842-V860 HydrophobicContact CG1-CG1 4.12Å; V842-V860 HydrophobicContact CG1-CG2 4.48Å; V842-V860 HydrophobicContact CG2-CG1 3.96Å; F856-V860 HydrophobicContact CD1-CG2 3.79Å; F856-V860 HydrophobicContact CE1-CG2 3.55Å; F856-V860 HydrophobicContact CE2-CG2 4.45Å; F856-V860 HydrophobicContact CG-CG2 4.35Å; F856-V860 HydrophobicContact CZ-CG2 3.91Å; F856-V860 WeakPolarHBondContact O-CB 3.33Å; F856-V860 WeakPolarHBondContact O-CG2 3.48Å; F856-V860 PolarHBondContact O-N 3.23Å; V860-L862 VanDerWaalsContact C-N 3.31Å; V860-L862 PolarHBondContact O-N 3.13Å; V860-V863 PolarHBondContact O-N 3.39Å; V860-I864 HydrophobicContact CG1-CG1 4.19Å; V860-I864 VanDerWaalsContact O-CG1 3.32Å; V860-I864 WeakPolarHBondContact O-CG1 3.12Å; V860-I864 PolarHBondContact O-N 2.83Å |
| 861 | L | 94.7 | Very high | 92.7 | Very high | 40 Ų | 40 | 19.2 Ų | 19.2 | 21% | 0.209 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.4 | -44.5 | 176.6 | 179.2 | 64.4 | 0 | 0 | 0 | 111.4 | W778 I839 F857 K858 T859 I864 V865 | W778-L861 HydrophobicContact CH2-CD2 4.19Å; I839-L861 HydrophobicContact CD1-CD1 4.26Å; I839-L861 HydrophobicContact CG1-CD1 3.98Å; I839-L861 HydrophobicContact CG2-CD1 4.07Å; F857-L861 HydrophobicContact CE1-CD2 4.26Å; F857-L861 HydrophobicContact CZ-CD2 3.86Å; F857-L861 VanDerWaalsContact O-CB 3.27Å; F857-L861 WeakPolarHBondContact O-CB 3.43Å; F857-L861 PolarHBondContact O-N 3.48Å; K858-L861 PolarHBondContact O-N 3.24Å; T859-L861 VanDerWaalsContact C-N 3.31Å; T859-L861 PolarHBondContact O-N 2.89Å; L861-I864 PolarHBondContact O-N 2.87Å; L861-V865 HydrophobicContact CD1-CG2 4.01Å; L861-V865 HydrophobicContact CG-CG2 4.43Å; L861-V865 WeakPolarHBondContact O-CB 3.24Å; L861-V865 VanDerWaalsContact O-CG2 3.24Å; L861-V865 WeakPolarHBondContact O-CG2 3.49Å; L861-V865 PolarHBondContact O-N 3.38Å |
| 862 | L | 94.7 | Very high | 93 | Very high | 12 Ų | 12 | 17.7 Ų | 17.7 | 6% | 0.063 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.6 | -47.2 | 175.8 | -70 | 172.7 | 0 | 0 | 0 | 111.6 | L774 W778 K858 T859 V860 I864 V865 L866 | L774-L862 HydrophobicContact CB-CD1 3.89Å; L774-L862 HydrophobicContact CB-CD2 3.97Å; L774-L862 HydrophobicContact CD1-CD2 3.86Å; W778-L862 HydrophobicContact CD2-CD1 4.24Å; W778-L862 HydrophobicContact CD2-CD2 4.49Å; W778-L862 HydrophobicContact CE3-CD1 3.83Å; W778-L862 HydrophobicContact CE3-CD2 4.36Å; W778-L862 HydrophobicContact CE3-CG 4.07Å; W778-L862 HydrophobicContact CH2-CD2 3.73Å; W778-L862 HydrophobicContact CH2-CG 3.98Å; W778-L862 HydrophobicContact CZ2-CD2 3.84Å; W778-L862 HydrophobicContact CZ2-CG 4.49Å; W778-L862 HydrophobicContact CZ3-CD1 4.03Å; W778-L862 HydrophobicContact CZ3-CD2 3.99Å; W778-L862 HydrophobicContact CZ3-CG 3.73Å; K858-L862 WeakPolarHBondContact O-CG 3.25Å; K858-L862 PolarHBondContact O-N 3.42Å; T859-L862 WeakPolarHBondContact O-CB 3.46Å; T859-L862 PolarHBondContact O-N 3.38Å; T859-L862 VanDerWaalsContact O-N 3.16Å; V860-L862 VanDerWaalsContact C-N 3.31Å; V860-L862 PolarHBondContact O-N 3.13Å; L862-I864 PolarHBondContact O-N 3.13Å; L862-V865 PolarHBondContact O-N 3.03Å; L862-L866 VanDerWaalsContact O-CB 3.25Å; L862-L866 WeakPolarHBondContact O-CB 3.31Å; L862-L866 VanDerWaalsContact O-CG 3.26Å; L862-L866 WeakPolarHBondContact O-CG 3.47Å; L862-L866 PolarHBondContact O-N 3.33Å |
| 863 | V | 94.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56.8 | -48.6 | 178.2 | 172.1 | 0 | 0 | 0 | 0 | 111 | V771 M792 F796 T859 V860 G867 | V771-V863 HydrophobicContact CG1-CG2 4.08Å; V771-V863 HydrophobicContact CG2-CG2 3.8Å; M792-V863 HydrophobicContact CE-CG2 4.47Å; F796-V863 HydrophobicContact CB-CG1 4.3Å; T859-V863 VanDerWaalsContact O-CG2 3.3Å; T859-V863 WeakPolarHBondContact O-CG2 3.4Å; T859-V863 PolarHBondContact O-N 2.71Å; V860-V863 PolarHBondContact O-N 3.39Å; V863-G867 WeakPolarHBondContact O-CA 3.42Å; V863-G867 PolarHBondContact O-N 3.21Å |
| 864 | I | 94.3 | Very high | 93.7 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.01 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -71 | -41.7 | -176.1 | -59.9 | -61.6 | 0 | 0 | 0 | 111.4 | F800 G835 T838 I839 V860 L861 L862 M868 | F800-I864 HydrophobicContact CE2-CD1 3.83Å; F800-I864 HydrophobicContact CE2-CG2 4.44Å; F800-I864 HydrophobicContact CZ-CD1 3.89Å; F800-I864 HydrophobicContact CZ-CG2 4.4Å; G835-I864 WeakPolarHBondContact O-CG2 3.27Å; T838-I864 HydrophobicContact CG2-CD1 3.75Å; T838-I864 HydrophobicContact CG2-CG1 3.79Å; I839-I864 HydrophobicContact CD1-CG2 4.03Å; I839-I864 HydrophobicContact CG1-CB 4.33Å; I839-I864 HydrophobicContact CG1-CG2 3.85Å; V860-I864 HydrophobicContact CG1-CG1 4.19Å; V860-I864 VanDerWaalsContact O-CG1 3.32Å; V860-I864 WeakPolarHBondContact O-CG1 3.12Å; V860-I864 PolarHBondContact O-N 2.83Å; L861-I864 PolarHBondContact O-N 2.87Å; L862-I864 PolarHBondContact O-N 3.13Å; I864-M868 HydrophobicContact CG2-CE 4.04Å; I864-M868 HydrophobicContact CG2-CG 4.46Å; I864-M868 WeakPolarHBondContact O-CB 3.25Å; I864-M868 WeakPolarHBondContact O-CG 3.36Å; I864-M868 PolarHBondContact O-N 2.84Å |
| 865 | V | 95 | Very high | 93.9 | Very high | 70 Ų | 70 | 15.9 Ų | 15.9 | 42% | 0.424 | 8% | 0.083 | S | C | . | . | H | α-helix | trans | -65.4 | -48 | 178.1 | 170.7 | 0 | 0 | 0 | 0 | 111 | I839 L861 L862 L869 | I839-V865 HydrophobicContact CD1-CG2 4.27Å; L861-V865 HydrophobicContact CD1-CG2 4.01Å; L861-V865 HydrophobicContact CG-CG2 4.43Å; L861-V865 WeakPolarHBondContact O-CB 3.24Å; L861-V865 VanDerWaalsContact O-CG2 3.24Å; L861-V865 WeakPolarHBondContact O-CG2 3.49Å; L861-V865 PolarHBondContact O-N 3.38Å; L862-V865 PolarHBondContact O-N 3.03Å; V865-L869 VanDerWaalsContact O-CB 3.26Å; V865-L869 WeakPolarHBondContact O-CB 3.25Å; V865-L869 PolarHBondContact O-N 3.41Å |
| 866 | L | 95.6 | Very high | 94 | Very high | 11 Ų | 11 | 15.9 Ų | 15.9 | 6% | 0.058 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -66.6 | -41 | 177.4 | -67.9 | 178.4 | 0 | 0 | 0 | 111.3 | Y531 I767 V771 L774 L862 L869 H870 | Y531-L866 HydrophobicContact CE2-CD2 3.66Å; I767-L866 HydrophobicContact CG2-CB 4.2Å; V771-L866 HydrophobicContact CG2-CD1 3.87Å; L774-L866 HydrophobicContact CD1-CD1 4.16Å; L774-L866 HydrophobicContact CD1-CD2 4.39Å; L862-L866 VanDerWaalsContact O-CB 3.25Å; L862-L866 WeakPolarHBondContact O-CB 3.31Å; L862-L866 VanDerWaalsContact O-CG 3.26Å; L862-L866 WeakPolarHBondContact O-CG 3.47Å; L862-L866 PolarHBondContact O-N 3.33Å; L866-L869 PolarHBondContact O-N 3.01Å; L866-H870 WeakPolarHBondContact O-CB 3.46Å; L866-H870 PolarHBondContact O-N 2.89Å; L866-H870 PolarHBondContact O-ND1 2.76Å |
| 867 | G | 94.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -61.3 | -48.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V863 L869 H870 A871 | V863-G867 WeakPolarHBondContact O-CA 3.42Å; V863-G867 PolarHBondContact O-N 3.21Å; G867-L869 PolarHBondContact O-N 3.33Å; G867-H870 PolarHBondContact O-N 3.08Å; G867-A871 VanDerWaalsContact O-CB 3.23Å; G867-A871 WeakPolarHBondContact O-CB 3.43Å; G867-A871 PolarHBondContact O-N 2.97Å |
| 868 | M | 93.9 | Very high | 94.2 | Very high | 23 Ų | 23 | 14.6 Ų | 14.6 | 11% | 0.113 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.6 | -43.7 | 174.1 | -76.2 | -167 | -62.4 | 0 | 0 | 111.8 | V831 L832 I839 I864 H870 A871 I872 | V831-M868 HydrophobicContact CG1-CG 4.47Å; L832-M868 HydrophobicContact CD2-SD 4.34Å; I839-M868 HydrophobicContact CD1-CE 3.78Å; I864-M868 HydrophobicContact CG2-CE 4.04Å; I864-M868 HydrophobicContact CG2-CG 4.46Å; I864-M868 WeakPolarHBondContact O-CB 3.25Å; I864-M868 WeakPolarHBondContact O-CG 3.36Å; I864-M868 PolarHBondContact O-N 2.84Å; M868-H870 PolarHBondContact O-N 3.06Å; M868-A871 PolarHBondContact O-N 3.3Å; M868-I872 HydrophobicContact CB-CD1 4.3Å; M868-I872 VanDerWaalsContact O-CB 3.23Å; M868-I872 WeakPolarHBondContact O-CB 3.44Å; M868-I872 VanDerWaalsContact O-CG1 3.26Å; M868-I872 WeakPolarHBondContact O-CG1 3.48Å; M868-I872 PolarHBondContact O-N 3.09Å |
| 869 | L | 95.2 | Very high | 94.1 | Very high | 37 Ų | 37 | 12 Ų | 12 | 19% | 0.194 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -59.6 | -48.2 | 178.4 | 174.7 | 63.4 | 0 | 0 | 0 | 111.4 | W527 V865 L866 G867 V873 F874 | W527-L869 HydrophobicContact CH2-CD1 3.33Å; W527-L869 HydrophobicContact CH2-CD2 4.14Å; W527-L869 HydrophobicContact CH2-CG 4.33Å; W527-L869 HydrophobicContact CZ2-CD1 4.01Å; W527-L869 HydrophobicContact CZ2-CD2 3.93Å; W527-L869 HydrophobicContact CZ3-CD1 3.87Å; V865-L869 VanDerWaalsContact O-CB 3.26Å; V865-L869 WeakPolarHBondContact O-CB 3.25Å; V865-L869 PolarHBondContact O-N 3.41Å; L866-L869 PolarHBondContact O-N 3.01Å; G867-L869 PolarHBondContact O-N 3.33Å; L869-V873 HydrophobicContact CD1-CB 4.13Å; L869-V873 HydrophobicContact CD1-CG2 3.88Å; L869-V873 VanDerWaalsContact O-CB 3.29Å; L869-V873 WeakPolarHBondContact O-CB 3.37Å; L869-V873 PolarHBondContact O-N 3.38Å; L869-F874 HydrophobicContact CD1-CE2 4.41Å; L869-F874 HydrophobicContact CD2-CE2 3.64Å; L869-F874 HydrophobicContact CD2-CZ 4.04Å; L869-F874 HydrophobicContact CG-CD2 4.18Å; L869-F874 HydrophobicContact CG-CE2 3.67Å; L869-F874 HydrophobicContact CG-CZ 4.19Å; L869-F874 PolarHBondContact O-N 2.93Å |
| 870 | H | 95.1 | Very high | 94 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.067 | C | C | . | . | I | π-helix | trans | -63.2 | -47.3 | 178.3 | -79.8 | 75.8 | 0 | 0 | 0 | 111.5 | F528 Y531 T763 S766 I767 L866 G867 M868 I872 F874 L875 | F528-H870 AromaticContact CE2-NE2 3.83Å; Y531-H870 AromaticContact CE1-CE1 3.65Å; Y531-H870 AromaticContact CE1-NE2 3.65Å; Y531-H870 AromaticContact CZ-CE1 3.58Å; Y531-H870 PolarHBondContact OH-CE1 3.27Å; T763-H870 HydrophobicContact CG2-CB 3.64Å; S766-H870 PolarHBondContact OG-NE2 3.04Å; I767-H870 HydrophobicContact CD1-CB 3.76Å; I767-H870 HydrophobicContact CG1-CB 3.91Å; I767-H870 VanDerWaalsContact CG1-CG 3.42Å; I767-H870 WeakPolarHBondContact CG1-ND1 3.49Å; L866-H870 WeakPolarHBondContact O-CB 3.46Å; L866-H870 PolarHBondContact O-N 2.89Å; L866-H870 PolarHBondContact O-ND1 2.76Å; G867-H870 PolarHBondContact O-N 3.08Å; M868-H870 PolarHBondContact O-N 3.06Å; H870-I872 PolarHBondContact O-N 2.9Å; H870-F874 HydrophobicContact CB-CD2 4.37Å; H870-F874 AromaticContact CD2-CD2 3.71Å; H870-F874 AromaticContact CE1-CD2 3.92Å; H870-F874 AromaticContact CG-CD2 3.74Å; H870-F874 AromaticContact ND1-CD2 3.87Å; H870-F874 AromaticContact NE2-CD2 3.82Å; H870-F874 PolarHBondContact O-N 3.49Å; H870-L875 VanDerWaalsContact O-CB 3.23Å; H870-L875 WeakPolarHBondContact O-CB 3.46Å; H870-L875 PolarHBondContact O-N 3.11Å |
| 871 | A | 93.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | I | π-helix | trans | -64.7 | -41.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F800 I804 G867 M868 P876 | F800-A871 HydrophobicContact CB-CB 3.49Å; F800-A871 VanDerWaalsContact CB-CB 3.49Å; I804-A871 VanDerWaalsContact CD1-C 3.47Å; I804-A871 HydrophobicContact CD1-CB 3.91Å; I804-A871 WeakPolarHBondContact CD1-O 3.44Å; G867-A871 VanDerWaalsContact O-CB 3.23Å; G867-A871 WeakPolarHBondContact O-CB 3.43Å; G867-A871 PolarHBondContact O-N 2.97Å; M868-A871 PolarHBondContact O-N 3.3Å; A871-P876 WeakPolarHBondContact O-CD 3.44Å; A871-P876 VanDerWaalsContact O-CG 3.23Å; A871-P876 WeakPolarHBondContact O-CG 3.46Å |
| 872 | I | 94.1 | Very high | 93.6 | Very high | 17 Ų | 17 | 18.6 Ų | 18.6 | 9% | 0.087 | 10% | 0.096 | C | C | . | . | I | π-helix | trans | -87.4 | -28.1 | -172.3 | -63.6 | 169.7 | 0 | 0 | 0 | 112.7 | Y511 L515 T828 V831 L832 M868 H870 | Y511-I872 HydrophobicContact CE1-CG2 3.89Å; Y511-I872 WeakPolarHBondContact OH-CG2 3.46Å; Y511-I872 PolarHBondContact OH-O 3.41Å; L515-I872 WeakPolarHBondContact CD2-O 3.44Å; T828-I872 HydrophobicContact CG2-CD1 4.1Å; T828-I872 HydrophobicContact CG2-CG1 4.04Å; T828-I872 HydrophobicContact CG2-CG2 3.8Å; V831-I872 HydrophobicContact CG1-CD1 4.12Å; V831-I872 HydrophobicContact CG1-CG1 4.16Å; L832-I872 HydrophobicContact CD2-CD1 3.59Å; L832-I872 HydrophobicContact CG-CD1 3.75Å; M868-I872 HydrophobicContact CB-CD1 4.3Å; M868-I872 VanDerWaalsContact O-CB 3.23Å; M868-I872 WeakPolarHBondContact O-CB 3.44Å; M868-I872 VanDerWaalsContact O-CG1 3.26Å; M868-I872 WeakPolarHBondContact O-CG1 3.48Å; M868-I872 PolarHBondContact O-N 3.09Å; H870-I872 PolarHBondContact O-N 2.9Å |
| 873 | V | 95 | Very high | 93 | Very high | 22 Ų | 22 | 18 Ų | 18 | 13% | 0.133 | 9% | 0.093 | C | C | . | . | I | π-helix | trans | -117.4 | -63.1 | -172.8 | -173.9 | 0 | 0 | 0 | 0 | 112.3 | L515 V524 W527 L869 V877 | L515-V873 HydrophobicContact CD1-CG1 4.13Å; V524-V873 HydrophobicContact CG1-CG1 3.83Å; V524-V873 HydrophobicContact CG2-CG1 3.85Å; W527-V873 HydrophobicContact CZ3-CG1 4.13Å; L869-V873 HydrophobicContact CD1-CB 4.13Å; L869-V873 HydrophobicContact CD1-CG2 3.88Å; L869-V873 VanDerWaalsContact O-CB 3.29Å; L869-V873 WeakPolarHBondContact O-CB 3.37Å; L869-V873 PolarHBondContact O-N 3.38Å; V873-V877 WeakPolarHBondContact O-CG2 3.36Å |
| 874 | F | 95.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 24 Ų | 24 | 0% | 0.004 | 12% | 0.121 | C | C | . | . | I | π-helix | trans | -71 | -52.1 | -169.9 | -60.9 | -45.8 | 0 | 0 | 0 | 112.7 | V524 W527 F528 L869 H870 V877 L878 | V524-F874 HydrophobicContact CG1-CD1 3.66Å; V524-F874 HydrophobicContact CG1-CE1 4.14Å; W527-F874 HydrophobicContact CB-CE1 4.45Å; W527-F874 AromaticContact CD2-CE1 3.83Å; W527-F874 HydrophobicContact CD2-CE1 3.83Å; W527-F874 AromaticContact CD2-CZ 3.78Å; W527-F874 HydrophobicContact CD2-CZ 3.78Å; W527-F874 AromaticContact CE2-CZ 3.97Å; W527-F874 AromaticContact CE3-CE1 3.71Å; W527-F874 HydrophobicContact CE3-CE1 3.71Å; W527-F874 AromaticContact CE3-CZ 3.96Å; W527-F874 HydrophobicContact CE3-CZ 3.96Å; W527-F874 HydrophobicContact CG-CE1 4.18Å; W527-F874 HydrophobicContact CG-CZ 4.22Å; W527-F874 HydrophobicContact CZ2-CZ 4.36Å; W527-F874 HydrophobicContact CZ3-CE1 4.31Å; W527-F874 HydrophobicContact CZ3-CZ 4.35Å; F528-F874 HydrophobicContact CB-CD1 3.9Å; F528-F874 HydrophobicContact CB-CE1 3.93Å; F528-F874 HydrophobicContact CD2-CB 4.09Å; F528-F874 AromaticContact CD2-CD1 3.92Å; F528-F874 HydrophobicContact CD2-CD1 3.92Å; F528-F874 AromaticContact CD2-CD2 3.8Å; F528-F874 HydrophobicContact CD2-CD2 3.8Å; F528-F874 HydrophobicContact CD2-CE1 4.29Å; F528-F874 HydrophobicContact CD2-CE2 4.15Å; F528-F874 AromaticContact CD2-CG 3.69Å; F528-F874 HydrophobicContact CD2-CG 3.69Å; F528-F874 HydrophobicContact CD2-CZ 4.4Å; F528-F874 HydrophobicContact CE2-CB 4.45Å; F528-F874 HydrophobicContact CE2-CD2 4.32Å; F528-F874 HydrophobicContact CE2-CG 4.38Å; F528-F874 HydrophobicContact CG-CD1 4.32Å; F528-F874 HydrophobicContact CG-CG 4.48Å; L869-F874 HydrophobicContact CD1-CE2 4.41Å; L869-F874 HydrophobicContact CD2-CE2 3.64Å; L869-F874 HydrophobicContact CD2-CZ 4.04Å; L869-F874 HydrophobicContact CG-CD2 4.18Å; L869-F874 HydrophobicContact CG-CE2 3.67Å; L869-F874 HydrophobicContact CG-CZ 4.19Å; L869-F874 PolarHBondContact O-N 2.93Å; H870-F874 HydrophobicContact CB-CD2 4.37Å; H870-F874 AromaticContact CD2-CD2 3.71Å; H870-F874 AromaticContact CE1-CD2 3.92Å; H870-F874 AromaticContact CG-CD2 3.74Å; H870-F874 AromaticContact ND1-CD2 3.87Å; H870-F874 AromaticContact NE2-CD2 3.82Å; H870-F874 PolarHBondContact O-N 3.49Å; F874-V877 PolarHBondContact O-N 3.24Å; F874-L878 WeakPolarHBondContact O-CG 3.33Å; F874-L878 PolarHBondContact O-N 3.04Å |
| 875 | L | 94 | Very high | 90.9 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.4 | -47 | -176 | 177.3 | 67.7 | 0 | 0 | 0 | 112.8 | V760 T763 S801 A805 H870 V877 L878 L879 | V760-L875 HydrophobicContact CG2-CD1 4.43Å; T763-L875 HydrophobicContact CG2-CB 4.32Å; T763-L875 WeakPolarHBondContact OG1-CD1 3.29Å; S801-L875 VanDerWaalsContact O-CD2 3.27Å; S801-L875 WeakPolarHBondContact O-CD2 3.26Å; A805-L875 HydrophobicContact CB-CD2 4.49Å; H870-L875 VanDerWaalsContact O-CB 3.23Å; H870-L875 WeakPolarHBondContact O-CB 3.46Å; H870-L875 PolarHBondContact O-N 3.11Å; L875-V877 VanDerWaalsContact C-N 3.28Å; L875-V877 PolarHBondContact O-N 3.4Å; L875-L878 PolarHBondContact O-N 3.23Å; L875-L879 HydrophobicContact CD1-CD1 3.9Å; L875-L879 HydrophobicContact CD1-CD2 4.2Å; L875-L879 HydrophobicContact CD1-CG 3.78Å; L875-L879 HydrophobicContact CG-CD1 3.88Å; L875-L879 HydrophobicContact CG-CG 4.16Å; L875-L879 WeakPolarHBondContact O-CB 3.46Å; L875-L879 VanDerWaalsContact O-CG 3.27Å; L875-L879 WeakPolarHBondContact O-CG 3.3Å; L875-L879 PolarHBondContact O-N 3.15Å |
| 876 | P | 93.8 | Very high | 88.6 | Confident | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.013 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.7 | -37.3 | 178.3 | -24.1 | 34.5 | 0 | 0 | 0 | 112.7 | L515 M516 I804 I824 A871 S880 | L515-P876 HydrophobicContact CD2-CB 4.48Å; M516-P876 HydrophobicContact CE-CB 3.96Å; I804-P876 HydrophobicContact CG2-CG 4.1Å; I824-P876 HydrophobicContact CD1-CB 3.77Å; I824-P876 HydrophobicContact CD1-CG 4.28Å; I824-P876 HydrophobicContact CG1-CB 3.98Å; I824-P876 HydrophobicContact CG1-CG 4.06Å; A871-P876 WeakPolarHBondContact O-CD 3.44Å; A871-P876 VanDerWaalsContact O-CG 3.23Å; A871-P876 WeakPolarHBondContact O-CG 3.46Å; P876-S880 VanDerWaalsContact O-CB 3.24Å; P876-S880 WeakPolarHBondContact O-CB 3.37Å; P876-S880 PolarHBondContact O-N 3.38Å |
| 877 | V | 94.4 | Very high | 85.9 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68 | -48.7 | 176.9 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | L515 R521 V524 V525 V873 F874 L875 L879 S880 L881 | L515-V877 HydrophobicContact CD1-CG2 3.77Å; L515-V877 HydrophobicContact CD2-CG2 4.4Å; L515-V877 HydrophobicContact CG-CG2 3.96Å; R521-V877 HydrophobicContact CB-CG1 3.94Å; R521-V877 HydrophobicContact CG-CG1 4.06Å; R521-V877 HydrophobicContact CG-CG2 4.4Å; V524-V877 HydrophobicContact CB-CG2 4.39Å; V524-V877 HydrophobicContact CG1-CB 4.14Å; V524-V877 HydrophobicContact CG1-CG1 4.28Å; V524-V877 HydrophobicContact CG1-CG2 4.01Å; V525-V877 HydrophobicContact CG2-CG1 4.31Å; V873-V877 WeakPolarHBondContact O-CG2 3.36Å; F874-V877 PolarHBondContact O-N 3.24Å; L875-V877 VanDerWaalsContact C-N 3.28Å; L875-V877 PolarHBondContact O-N 3.4Å; V877-L879 PolarHBondContact O-N 3.09Å; V877-S880 PolarHBondContact O-N 3.26Å; V877-S880 VanDerWaalsContact O-N 3.15Å; V877-S880 PolarHBondContact O-OG 3.32Å; V877-L881 HydrophobicContact CG1-CD1 3.87Å; V877-L881 HydrophobicContact CG1-CG 4.42Å; V877-L881 VanDerWaalsContact O-CG 3.32Å; V877-L881 WeakPolarHBondContact O-CG 3.3Å; V877-L881 PolarHBondContact O-N 3.32Å |
| 878 | L | 92.4 | Very high | 82.9 | Confident | 12 Ų | 12 | 40.4 Ų | 40.4 | 6% | 0.063 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.4 | -47.6 | 176.9 | -68.4 | 173 | 0 | 0 | 0 | 111.7 | F528 W759 F874 L875 S880 L881 F882 | F528-L878 HydrophobicContact CE1-CD1 4.49Å; F528-L878 HydrophobicContact CZ-CD1 4.42Å; W759-L878 HydrophobicContact CE3-CB 4.2Å; W759-L878 HydrophobicContact CE3-CD1 4.07Å; W759-L878 HydrophobicContact CE3-CD2 4.37Å; W759-L878 HydrophobicContact CE3-CG 4.45Å; W759-L878 HydrophobicContact CH2-CD2 4.45Å; W759-L878 HydrophobicContact CZ3-CD1 4.24Å; W759-L878 HydrophobicContact CZ3-CD2 3.96Å; W759-L878 HydrophobicContact CZ3-CG 4.5Å; F874-L878 WeakPolarHBondContact O-CG 3.33Å; F874-L878 PolarHBondContact O-N 3.04Å; L875-L878 PolarHBondContact O-N 3.23Å; L878-S880 VanDerWaalsContact C-N 3.32Å; L878-S880 PolarHBondContact O-N 3Å; L878-L881 PolarHBondContact O-N 3.06Å; L878-F882 HydrophobicContact CD2-CD2 4.35Å; L878-F882 HydrophobicContact CD2-CE2 3.94Å; L878-F882 VanDerWaalsContact O-CD2 3.27Å; L878-F882 WeakPolarHBondContact O-CD2 3.31Å; L878-F882 PolarHBondContact O-N 3.21Å |
| 879 | L | 91.8 | Very high | 80.2 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.2 | -40.8 | 175.5 | -67.4 | 179.2 | 0 | 0 | 0 | 111.8 | C756 W759 A805 F808 S816 L875 V877 L881 V883 | C756-L879 HydrophobicContact CB-CD2 4.45Å; W759-L879 HydrophobicContact CB-CD2 3.94Å; A805-L879 HydrophobicContact CB-CD1 4.41Å; F808-L879 HydrophobicContact CB-CD1 4.3Å; F808-L879 HydrophobicContact CD1-CB 4.32Å; F808-L879 HydrophobicContact CD1-CD1 4.09Å; F808-L879 HydrophobicContact CE1-CB 4.07Å; F808-L879 HydrophobicContact CE2-CB 4.31Å; F808-L879 HydrophobicContact CG-CD1 4.14Å; F808-L879 HydrophobicContact CZ-CB 4.08Å; S816-L879 PolarHBondContact OG-O 3.07Å; L875-L879 HydrophobicContact CD1-CD1 3.9Å; L875-L879 HydrophobicContact CD1-CD2 4.2Å; L875-L879 HydrophobicContact CD1-CG 3.78Å; L875-L879 HydrophobicContact CG-CD1 3.88Å; L875-L879 HydrophobicContact CG-CG 4.16Å; L875-L879 WeakPolarHBondContact O-CB 3.46Å; L875-L879 VanDerWaalsContact O-CG 3.27Å; L875-L879 WeakPolarHBondContact O-CG 3.3Å; L875-L879 PolarHBondContact O-N 3.15Å; V877-L879 PolarHBondContact O-N 3.09Å; L879-L881 VanDerWaalsContact C-N 3.28Å; L879-L881 PolarHBondContact O-N 3.4Å; L879-V883 HydrophobicContact CD2-CG2 3.74Å; L879-V883 WeakPolarHBondContact O-CB 3.48Å; L879-V883 PolarHBondContact O-N 3.5Å |
| 880 | S | 91.3 | Very high | 77 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.014 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.9 | -33.3 | 178.8 | 81.4 | 0 | 0 | 0 | 0 | 113.1 | S816 P876 V877 L878 | S816-S880 WeakPolarHBondContact CB-O 3.4Å; S816-S880 VanDerWaalsContact OG-CA 3.31Å; S816-S880 WeakPolarHBondContact OG-CA 3.47Å; S816-S880 PolarHBondContact OG-O 3Å; S816-S880 VanDerWaalsContact OG-O 3.08Å; P876-S880 VanDerWaalsContact O-CB 3.24Å; P876-S880 WeakPolarHBondContact O-CB 3.37Å; P876-S880 PolarHBondContact O-N 3.38Å; V877-S880 PolarHBondContact O-N 3.26Å; V877-S880 VanDerWaalsContact O-N 3.15Å; V877-S880 PolarHBondContact O-OG 3.32Å; L878-S880 VanDerWaalsContact C-N 3.32Å; L878-S880 PolarHBondContact O-N 3Å |
| 881 | L | 89.6 | Confident | 73.7 | Confident | 64 Ų | 64 | 63.4 Ų | 63.4 | 34% | 0.335 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -84.8 | -38.3 | -176.8 | -70.2 | 173.7 | 0 | 0 | 0 | 112.7 | V525 V877 L878 L879 H884 | V525-L881 HydrophobicContact CG2-CD1 3.9Å; V877-L881 HydrophobicContact CG1-CD1 3.87Å; V877-L881 HydrophobicContact CG1-CG 4.42Å; V877-L881 VanDerWaalsContact O-CG 3.32Å; V877-L881 WeakPolarHBondContact O-CG 3.3Å; V877-L881 PolarHBondContact O-N 3.32Å; L878-L881 PolarHBondContact O-N 3.06Å; L879-L881 VanDerWaalsContact C-N 3.28Å; L879-L881 PolarHBondContact O-N 3.4Å; L881-H884 PolarHBondContact O-CE1 2.85Å |
| 882 | F | 87.5 | Confident | 70.8 | Confident | 113 Ų | 113 | 69.2 Ų | 69.2 | 50% | 0.496 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -108 | -25.8 | -170 | -64.3 | -71.3 | 0 | 0 | 0 | 114 | W759 L878 H884 | W759-F882 HydrophobicContact CD2-CD2 4.37Å; W759-F882 AromaticContact CE2-CD2 3.57Å; W759-F882 AromaticContact CE2-CG 3.67Å; W759-F882 AromaticContact CH2-CD2 3.59Å; W759-F882 HydrophobicContact CH2-CD2 3.59Å; W759-F882 AromaticContact CH2-CE2 3.53Å; W759-F882 HydrophobicContact CH2-CE2 3.53Å; W759-F882 HydrophobicContact CH2-CG 4.18Å; W759-F882 HydrophobicContact CH2-CZ 4.06Å; W759-F882 HydrophobicContact CZ2-CB 3.81Å; W759-F882 AromaticContact CZ2-CD1 3.84Å; W759-F882 HydrophobicContact CZ2-CD1 3.84Å; W759-F882 AromaticContact CZ2-CD2 3.14Å; W759-F882 HydrophobicContact CZ2-CD2 3.14Å; W759-F882 HydrophobicContact CZ2-CE1 4.17Å; W759-F882 AromaticContact CZ2-CE2 3.55Å; W759-F882 HydrophobicContact CZ2-CE2 3.55Å; W759-F882 AromaticContact CZ2-CG 3.31Å; W759-F882 HydrophobicContact CZ2-CG 3.31Å; W759-F882 HydrophobicContact CZ2-CZ 4.05Å; W759-F882 HydrophobicContact CZ3-CD2 4.35Å; W759-F882 HydrophobicContact CZ3-CE2 4.35Å; W759-F882 AromaticContact NE1-CG 3.8Å; L878-F882 HydrophobicContact CD2-CD2 4.35Å; L878-F882 HydrophobicContact CD2-CE2 3.94Å; L878-F882 VanDerWaalsContact O-CD2 3.27Å; L878-F882 WeakPolarHBondContact O-CD2 3.31Å; L878-F882 PolarHBondContact O-N 3.21Å; F882-H884 PolarHBondContact O-N 3.49Å |
| 883 | V | 83.9 | Confident | 67.6 | Low | 1 Ų | 1 | 73.6 Ų | 73.6 | 1% | 0.006 | 38% | 0.384 | C | S | . | . | trans | -99.1 | 89.3 | -175.5 | -173.4 | 0 | 0 | 0 | 0 | 111.1 | C755 F808 S816 L879 | C755-V883 HydrophobicContact CB-CG2 4.38Å; F808-V883 HydrophobicContact CE1-CB 3.92Å; F808-V883 HydrophobicContact CE1-CG1 3.81Å; F808-V883 HydrophobicContact CZ-CB 4.3Å; S816-V883 PolarHBondContact OG-O 2.71Å; L879-V883 HydrophobicContact CD2-CG2 3.74Å; L879-V883 WeakPolarHBondContact O-CB 3.48Å; L879-V883 PolarHBondContact O-N 3.5Å | ||
| 884 | H | 79.4 | Confident | 64.6 | Low | 124 Ų | 124 | 77.8 Ų | 77.8 | 57% | 0.574 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -94.4 | 130.7 | 172.9 | -64 | 88 | 0 | 0 | 0 | 110.4 | L881 F882 P886 | L881-H884 PolarHBondContact O-CE1 2.85Å; F882-H884 PolarHBondContact O-N 3.49Å; H884-P886 WeakPolarHBondContact O-CD 3.34Å |
| 885 | R | 63.9 | Low | 61.6 | Low | 92 Ų | 92 | 81.7 Ų | 81.7 | 35% | 0.347 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 123.4 | 164.8 | -89.7 | -173.9 | -177.8 | -169.1 | 2.9 | 107.2 | V809 T811 D812 S887 | V809-R885 PolarHBondContact O-NH2 2.9Å; T811-R885 PolarHBondContact O-NH2 3.32Å; T811-R885 VanDerWaalsContact O-NH2 3.17Å; D812-R885 IonicContact OD1-NH1 2.83Å; R885-S887 PolarHBondContact O-N 2.72Å |
| 886 | P | 47.3 | Very low | 58.9 | Low | 93 Ų | 93 | 85.6 Ų | 85.6 | 60% | 0.604 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 135.5 | 166.9 | 24.5 | -30.6 | 0 | 0 | 0 | 108.2 | H884 C888 | H884-P886 WeakPolarHBondContact O-CD 3.34Å; P886-C888 PolarHBondContact O-N 3.19Å |
| 887 | S | 38.2 | Very low | 55.8 | Low | 131 Ų | 131 | 91.4 Ų | 91.4 | 92% | 0.916 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -66.1 | 66 | 176.6 | -67.1 | 0 | 0 | 0 | 0 | 111.5 | R885 | R885-S887 PolarHBondContact O-N 2.72Š|
| 888 | C | 31.1 | Very low | 52.7 | Low | 113 Ų | 113 | 98 Ų | 98 | 76% | 0.764 | 53% | 0.532 | S | S | * | . | trans | -121.7 | 64.2 | 174.5 | -73.7 | 0 | 0 | 0 | 0 | 109.4 | P886 | P886-C888 PolarHBondContact O-N 3.19Š| ||
| 889 | V | 36.7 | Very low | 49.9 | Very low | 132 Ų | 132 | 101 Ų | 101 | 80% | 0.8 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -123.1 | 112.4 | 151.9 | 176.5 | 0 | 0 | 0 | 0 | 105.6 | K891 | V889-K891 PolarHBondContact O-N 3.14Š|
| 890 | R | 29.1 | Very low | 47 | Very low | 224 Ų | 224 | 109.4 Ų | 109.4 | 85% | 0.845 | 59% | 0.585 | S | S | * | * | trans | -13.4 | 120.6 | 164.9 | -164.9 | 170.2 | 171.2 | 163.3 | -3.2 | 110.7 | V892 | R890-V892 PolarHBondContact O-N 3.36Š| ||
| 891 | K | 25 | Very low | 44.2 | Very low | 186 Ų | 186 | 116.6 Ų | 116.6 | 81% | 0.809 | 62% | 0.622 | S | S | * | * | trans | -49 | 98.1 | 155.8 | -81.2 | 179.3 | 176.6 | 177 | 0 | 105.1 | V889 D893 | V889-K891 PolarHBondContact O-N 3.14Å; K891-D893 PolarHBondContact O-N 3.04Å; K891-D893 VanDerWaalsContact O-N 3.11Å | ||
| 892 | V | 32.4 | Very low | 41.5 | Very low | 123 Ų | 123 | 118.5 Ų | 118.5 | 75% | 0.745 | 64% | 0.641 | S | S | * | * | trans | -67.3 | 105.2 | 151.9 | 174.5 | 0 | 0 | 0 | 0 | 100.8 | R890 S894 | R890-V892 PolarHBondContact O-N 3.36Å; V892-S894 PolarHBondContact O-N 3.26Å | ||
| 893 | D | 28.1 | Very low | 38.9 | Very low | 109 Ų | 109 | 117.3 Ų | 117.3 | 58% | 0.583 | 65% | 0.647 | S | S | * | * | trans | -44.9 | 102.8 | -177.1 | -75.4 | -43.1 | 0 | 0 | 0 | 109.4 | K891 S895 V896 | K891-D893 PolarHBondContact O-N 3.04Å; K891-D893 VanDerWaalsContact O-N 3.11Å; D893-S895 PolarHBondContact O-N 2.92Å; D893-V896 PolarHBondContact O-N 3.42Å | ||
| 894 | S | 32.3 | Very low | 36.5 | Very low | 109 Ų | 109 | 124 Ų | 124 | 76% | 0.762 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 16.7 | 169 | 51.4 | 0 | 0 | 0 | 0 | 111.2 | V892 | V892-S894 PolarHBondContact O-N 3.26Š|
| 895 | S | 31.2 | Very low | 34.1 | Very low | 83 Ų | 83 | 126.1 Ų | 126.1 | 58% | 0.58 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -5.7 | 171.2 | 61.2 | 0 | 0 | 0 | 0 | 113.6 | D893 | D893-S895 PolarHBondContact O-N 2.92Š|
| 896 | V | 36.7 | Very low | 32.5 | Very low | 82 Ų | 82 | 124.8 Ų | 124.8 | 50% | 0.497 | 71% | 0.712 | S | S | . | * | S | Bend | trans | -94.6 | -19.1 | 177.4 | -175.3 | 0 | 0 | 0 | 0 | 114.2 | D893 | D893-V896 PolarHBondContact O-N 3.42Š|
| 897 | N | 30.3 | Very low | 31.6 | Very low | 125 Ų | 125 | 126.3 Ų | 126.3 | 67% | 0.668 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -96.9 | -11.9 | -178.7 | -86.5 | 1 | 0 | 0 | 0 | 116 | ||
| 898 | N | 29.1 | Very low | 31 | Very low | 140 Ų | 140 | 132 Ų | 132 | 75% | 0.749 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -87.2 | -13.9 | 172.4 | -85.2 | 5.4 | 0 | 0 | 0 | 114 | ||
| 899 | S | 32.7 | Very low | 30.8 | Very low | 75 Ų | 75 | 136 Ų | 136 | 52% | 0.524 | 73% | 0.733 | S | S | . | * | S | Bend | trans | -89 | -13.4 | 175.1 | 54.2 | 0 | 0 | 0 | 0 | 114 | ||
| 900 | R | 31.7 | Very low | 30.3 | Very low | 177 Ų | 177 | 138.2 Ų | 138.2 | 67% | 0.668 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -96 | -13 | 176.6 | -71.4 | -170.4 | -173.5 | -168.8 | 2.4 | 114.8 | S902 | R900-S902 VanDerWaalsContact C-N 3.33Š|
| 901 | L | 32.9 | Very low | 30.3 | Very low | 152 Ų | 152 | 133.7 Ų | 133.7 | 80% | 0.796 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -12.1 | 177.1 | -133.2 | 81.1 | 0 | 0 | 0 | 113.4 | ||
| 902 | S | 32.6 | Very low | 30.6 | Very low | 104 Ų | 104 | 131.6 Ų | 131.6 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | 7.6 | -177.7 | 63 | 0 | 0 | 0 | 0 | 115.4 | R900 | R900-S902 VanDerWaalsContact C-N 3.33Š|
| 903 | S | 32.7 | Very low | 30.2 | Very low | 89 Ų | 89 | 136.7 Ų | 136.7 | 62% | 0.622 | 74% | 0.742 | S | S | * | * | trans | -127.7 | 12.9 | -178.3 | 65.3 | 0 | 0 | 0 | 0 | 116.3 | N905 | S903-N905 VanDerWaalsContact C-N 3.25Å; S903-N905 PolarHBondContact O-N 2.98Å | ||
| 904 | I | 33.5 | Very low | 29.9 | Very low | 140 Ų | 140 | 138 Ų | 138 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | trans | -87.4 | 68 | 176.2 | -50.1 | 177.9 | 0 | 0 | 0 | 110 | ||||
| 905 | N | 29.2 | Very low | 29.6 | Very low | 169 Ų | 169 | 137.7 Ų | 137.7 | 90% | 0.904 | 76% | 0.756 | S | S | * | * | trans | -137 | 81.5 | 157.4 | -95.6 | -14.7 | 0 | 0 | 0 | 106.6 | S903 | S903-N905 VanDerWaalsContact C-N 3.25Å; S903-N905 PolarHBondContact O-N 2.98Å | ||
| 906 | G | 29.2 | Very low | 29.5 | Very low | 64 Ų | 64 | 139.7 Ų | 139.7 | 66% | 0.66 | 77% | 0.765 | S | S | * | * | trans | -174.2 | 134.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 907 | P | 29.3 | Very low | 29 | Very low | 125 Ų | 125 | 145.4 Ų | 145.4 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | trans | -92.7 | 154 | -151.3 | 36 | -35.1 | 0 | 0 | 0 | 114.9 | ||||
| 908 | R | 25.2 | Very low | 28.7 | Very low | 250 Ų | 250 | 148.9 Ų | 148.9 | 94% | 0.943 | 79% | 0.793 | S | S | * | * | trans | 32.5 | 104.7 | 152.4 | -88.5 | 178.7 | 168.7 | 173 | -2.5 | 116.9 | ||||
| 909 | M | 27.8 | Very low | 28.5 | Very low | 199 Ų | 199 | 148 Ų | 148 | 98% | 0.98 | 79% | 0.792 | S | S | * | * | trans | -121.7 | 134.9 | 152.3 | -109 | -179.6 | 179.3 | 0 | 0 | 111.8 | ||||
| 910 | Q | 25.3 | Very low | 28.2 | Very low | 178 Ų | 178 | 150.6 Ų | 150.6 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | -71.9 | 163.9 | -172 | -78.5 | 177.1 | -18.7 | 0 | 0 | 113.6 | ||||
| 911 | P | 28.2 | Very low | 27.7 | Very low | 128 Ų | 128 | 149.8 Ų | 149.8 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | trans | -80 | 125.8 | -163.2 | 31.5 | -32.2 | 0 | 0 | 0 | 112 | R913 | P911-R913 PolarHBondContact O-N 3.22Š| ||
| 912 | V | 31.9 | Very low | 27.2 | Very low | 142 Ų | 142 | 146.3 Ų | 146.3 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | trans | -78.5 | 115.6 | 173.3 | 179.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 913 | R | 23.5 | Very low | 26.9 | Very low | 231 Ų | 231 | 146 Ų | 146 | 87% | 0.872 | 82% | 0.822 | S | S | * | * | trans | -54.5 | 127 | 173 | -123.2 | 173 | -174.5 | 175.7 | 1.3 | 111 | P911 S915 | P911-R913 PolarHBondContact O-N 3.22Å; R913-S915 PolarHBondContact O-N 3.45Å | ||
| 914 | C | 22.4 | Very low | 26.4 | Very low | 136 Ų | 136 | 149.5 Ų | 149.5 | 92% | 0.919 | 83% | 0.834 | S | S | * | * | trans | -67.5 | 116.6 | 164.3 | -74.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 915 | S | 27 | Very low | 25.9 | Very low | 102 Ų | 102 | 147.7 Ų | 147.7 | 71% | 0.713 | 83% | 0.834 | S | S | * | * | trans | -124.9 | 111.9 | 162.7 | 46.7 | 0 | 0 | 0 | 0 | 110.6 | R913 | R913-S915 PolarHBondContact O-N 3.45Š| ||
| 916 | T | 27.4 | Very low | 25.7 | Very low | 126 Ų | 126 | 144.3 Ų | 144.3 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | trans | 67.6 | 97.3 | 137.4 | -16.2 | 0 | 0 | 0 | 0 | 118.8 | K918 | T916-K918 PolarHBondContact O-N 3.41Š| ||
| 917 | F | 26.4 | Very low | 25.4 | Very low | 202 Ų | 202 | 145.9 Ų | 145.9 | 89% | 0.886 | 83% | 0.831 | S | S | * | * | trans | -4.8 | 104.7 | 135.9 | -112.2 | -105.4 | 0 | 0 | 0 | 114.2 | ||||
| 918 | K | 24.9 | Very low | 25.2 | Very low | 197 Ų | 197 | 146.3 Ų | 146.3 | 86% | 0.857 | 83% | 0.831 | S | S | * | * | trans | -97.3 | 111.7 | 158.8 | -91.6 | -176.3 | 175.9 | 179.4 | 0 | 108.4 | T916 C920 | T916-K918 PolarHBondContact O-N 3.41Å; K918-C920 PolarHBondContact O-N 3.2Å | ||
| 919 | T | 23.8 | Very low | 25.1 | Very low | 121 Ų | 121 | 141.5 Ų | 141.5 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | trans | -52.4 | 115.3 | 161.9 | 41.7 | 0 | 0 | 0 | 0 | 110.8 | N921 | T919-N921 PolarHBondContact O-N 2.68Š| ||
| 920 | C | 27.4 | Very low | 25 | Very low | 131 Ų | 131 | 137.6 Ų | 137.6 | 89% | 0.885 | 81% | 0.813 | S | S | * | * | trans | -87.2 | 89.3 | 161 | -76.2 | 0 | 0 | 0 | 0 | 108.4 | K918 | K918-C920 PolarHBondContact O-N 3.2Š| ||
| 921 | N | 20.7 | Very low | 25 | Very low | 160 Ų | 160 | 133.3 Ų | 133.3 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | trans | -89.7 | 135.2 | 154.6 | -95.2 | -10.3 | 0 | 0 | 0 | 108 | T919 | T919-N921 PolarHBondContact O-N 2.68Š| ||
| 922 | G | 22.5 | Very low | 24.7 | Very low | 78 Ų | 78 | 133.1 Ų | 133.1 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | 117.7 | 98.8 | 158.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 923 | A | 25.8 | Very low | 24.3 | Very low | 97 Ų | 97 | 135.2 Ų | 135.2 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | -179.9 | 105.7 | 118.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 924 | N | 22 | Very low | 24.3 | Very low | 163 Ų | 163 | 129.5 Ų | 129.5 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | trans | 16.8 | 127.5 | 140.7 | -64.4 | -12.6 | 0 | 0 | 0 | 119.4 | ||||
| 925 | S | 23.8 | Very low | 24.4 | Very low | 103 Ų | 103 | 128.7 Ų | 128.7 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | 167.9 | 136.4 | 99.4 | 179.7 | 0 | 0 | 0 | 0 | 112 | |||||
| 926 | S | 24.1 | Very low | 24.3 | Very low | 98 Ų | 98 | 129.3 Ų | 129.3 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | trans | 66 | 99.7 | 152.7 | 48.1 | 0 | 0 | 0 | 0 | 118.7 | V928 | S926-V928 PolarHBondContact O-N 3.49Š| ||
| 927 | A | 23.3 | Very low | 24.3 | Very low | 97 Ų | 97 | 128.8 Ų | 128.8 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | -48.6 | 124.9 | 155.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 928 | V | 26.4 | Very low | 24.3 | Very low | 134 Ų | 134 | 125.2 Ų | 125.2 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | -113.1 | 104.4 | 156.2 | 178.3 | 0 | 0 | 0 | 0 | 105.2 | S926 | S926-V928 PolarHBondContact O-N 3.49Š| ||
| 929 | L | 22.4 | Very low | 24.5 | Very low | 149 Ų | 149 | 123.6 Ų | 123.6 | 78% | 0.78 | 79% | 0.791 | S | S | * | * | trans | -57.8 | 135 | 169.6 | -92.6 | 95.6 | 0 | 0 | 0 | 109 | A931 | L929-A931 PolarHBondContact O-N 3.47Š| ||
| 930 | P | 25.9 | Very low | 24.7 | Very low | 117 Ų | 117 | 125.5 Ų | 125.5 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | trans | -70.9 | 113 | 165 | 27.9 | -27.8 | 0 | 0 | 0 | 108.1 | V932 | P930-V932 PolarHBondContact O-N 2.93Å; P930-V932 VanDerWaalsContact O-N 3.15Å | ||
| 931 | A | 24 | Very low | 24.8 | Very low | 88 Ų | 88 | 126.5 Ų | 126.5 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -57.6 | 116.4 | 169 | 0 | 0 | 0 | 0 | 0 | 109 | L929 M933 | L929-A931 PolarHBondContact O-N 3.47Å; A931-M933 PolarHBondContact O-N 2.91Å | ||
| 932 | V | 22.5 | Very low | 25.7 | Very low | 124 Ų | 124 | 122.1 Ų | 122.1 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | trans | -64.3 | 97.5 | 162.8 | 174.1 | 0 | 0 | 0 | 0 | 106.6 | P930 T934 | P930-V932 PolarHBondContact O-N 2.93Å; P930-V932 VanDerWaalsContact O-N 3.15Å; V932-T934 VanDerWaalsContact C-N 3.31Å; V932-T934 HydrophobicContact CG1-CG2 3.94Å; V932-T934 PolarHBondContact O-N 3.04Å | ||
| 933 | M | 24.1 | Very low | 26.3 | Very low | 186 Ų | 186 | 125 Ų | 125 | 92% | 0.916 | 76% | 0.757 | S | S | * | * | trans | -82.4 | 86.1 | 163.7 | -85.5 | -177.2 | 169.6 | 0 | 0 | 108 | A931 | A931-M933 PolarHBondContact O-N 2.91Š| ||
| 934 | T | 22.6 | Very low | 26.9 | Very low | 111 Ų | 111 | 124.5 Ų | 124.5 | 68% | 0.681 | 75% | 0.745 | S | S | * | * | trans | -64.7 | 146.5 | 152.7 | 40.2 | 0 | 0 | 0 | 0 | 110.1 | V932 | V932-T934 VanDerWaalsContact C-N 3.31Å; V932-T934 HydrophobicContact CG1-CG2 3.94Å; V932-T934 PolarHBondContact O-N 3.04Å | ||
| 935 | S | 24.6 | Very low | 27.8 | Very low | 119 Ų | 119 | 122.1 Ų | 122.1 | 83% | 0.832 | 73% | 0.731 | S | S | * | * | trans | 65 | 98.1 | 162.9 | 65.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 936 | S | 26.1 | Very low | 28.5 | Very low | 115 Ų | 115 | 122.9 Ų | 122.9 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | trans | -119.8 | 149.7 | 143.8 | 55.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 937 | P | 26.4 | Very low | 29.1 | Very low | 114 Ų | 114 | 124.9 Ų | 124.9 | 74% | 0.74 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 161.2 | -149.7 | 32.4 | -34.9 | 0 | 0 | 0 | 113.3 | M939 | P937-M939 PolarHBondContact O-N 3.09Š|
| 938 | P | 27.2 | Very low | 30 | Very low | 128 Ų | 128 | 126.3 Ų | 126.3 | 83% | 0.831 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 122.1 | -176.7 | 26.3 | -32.7 | 0 | 0 | 0 | 110.1 | M940 | P938-M940 PolarHBondContact O-N 2.61Š|
| 939 | M | 27.9 | Very low | 31.1 | Very low | 162 Ų | 162 | 126.6 Ų | 126.6 | 80% | 0.798 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 119.7 | 166 | -93.7 | 178.7 | -179.3 | 0 | 0 | 108.3 | P937 F941 | P937-M939 PolarHBondContact O-N 3.09Å; M939-F941 HydrophobicContact CB-CD2 4.4Å; M939-F941 PolarHBondContact O-N 2.56Å |
| 940 | M | 28.6 | Very low | 32 | Very low | 162 Ų | 162 | 124.6 Ų | 124.6 | 80% | 0.798 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 39.3 | 176.9 | -159.7 | -173.9 | -91.8 | 0 | 0 | 112.1 | P938 | P938-M940 PolarHBondContact O-N 2.61Š|
| 941 | F | 30.4 | Very low | 32.8 | Very low | 151 Ų | 151 | 122.6 Ų | 122.6 | 66% | 0.662 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | -12.6 | 179.6 | -94 | -80.7 | 0 | 0 | 0 | 113.5 | M939 | M939-F941 HydrophobicContact CB-CD2 4.4Å; M939-F941 PolarHBondContact O-N 2.56Å |
| 942 | S | 39.4 | Very low | 33.8 | Very low | 69 Ų | 69 | 123.1 Ų | 123.1 | 48% | 0.483 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -82.8 | -32.3 | 178.2 | 96.4 | 0 | 0 | 0 | 0 | 113.5 | T944 L945 E946 | S942-T944 PolarHBondContact O-N 2.95Å; S942-L945 PolarHBondContact O-N 2.87Å; S942-E946 WeakPolarHBondContact O-CB 3.16Å; S942-E946 PolarHBondContact O-N 2.93Å; S942-E946 PolarHBondContact OG-OE2 3.39Å |
| 943 | Q | 34.1 | Very low | 34.6 | Very low | 137 Ų | 137 | 121.5 Ų | 121.5 | 64% | 0.64 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -71.7 | -34.5 | -171.5 | -73.4 | -175 | -20.8 | 0 | 0 | 113.6 | H947 | Q943-H947 WeakPolarHBondContact O-CB 3.34Å; Q943-H947 PolarHBondContact O-N 3.48Å |
| 944 | T | 40 | Very low | 35.2 | Very low | 88 Ų | 88 | 119.7 Ų | 119.7 | 54% | 0.54 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -70.5 | -40.9 | 175.9 | 37.4 | 0 | 0 | 0 | 0 | 111.7 | S942 H947 E948 | S942-T944 PolarHBondContact O-N 2.95Å; T944-H947 PolarHBondContact O-N 2.76Å; T944-E948 PolarHBondContact O-N 2.8Å |
| 945 | L | 39.6 | Very low | 35.9 | Very low | 113 Ų | 113 | 123.6 Ų | 123.6 | 59% | 0.592 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -69.6 | -38.1 | 175.3 | -80.5 | 163.2 | 0 | 0 | 0 | 112.5 | S942 H947 Y949 | S942-L945 PolarHBondContact O-N 2.87Å; L945-H947 VanDerWaalsContact C-N 3.33Å; L945-Y949 WeakPolarHBondContact O-CB 3.47Å; L945-Y949 PolarHBondContact O-N 3.3Å |
| 946 | E | 39.5 | Very low | 36.5 | Very low | 119 Ų | 119 | 121 Ų | 121 | 56% | 0.556 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.5 | -36.5 | 173.4 | -88.7 | 171.9 | 139.5 | 0 | 0 | 111.8 | S942 Y949 E950 | S942-E946 WeakPolarHBondContact O-CB 3.16Å; S942-E946 PolarHBondContact O-N 2.93Å; S942-E946 PolarHBondContact OG-OE2 3.39Å; E946-Y949 PolarHBondContact O-N 3.05Å; E946-E950 WeakPolarHBondContact O-CB 3.18Å; E946-E950 WeakPolarHBondContact O-CG 3.42Å; E946-E950 PolarHBondContact O-N 3.2Å |
| 947 | H | 36.4 | Very low | 36.8 | Very low | 139 Ų | 139 | 119.8 Ų | 119.8 | 64% | 0.644 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -71.6 | -42.2 | 178.2 | -166 | 28.8 | 0 | 0 | 0 | 112.5 | Q943 T944 L945 T951 | Q943-H947 WeakPolarHBondContact O-CB 3.34Å; Q943-H947 PolarHBondContact O-N 3.48Å; T944-H947 PolarHBondContact O-N 2.76Å; L945-H947 VanDerWaalsContact C-N 3.33Å; H947-T951 WeakPolarHBondContact O-CB 3.23Å; H947-T951 PolarHBondContact O-N 3.05Å; H947-T951 PolarHBondContact O-OG1 2.96Å |
| 948 | E | 42.8 | Very low | 37.5 | Very low | 127 Ų | 127 | 119.2 Ų | 119.2 | 59% | 0.593 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.8 | -40.6 | 172.3 | -74.7 | -175.9 | 166 | 0 | 0 | 111.2 | T944 T951 I952 | T944-E948 PolarHBondContact O-N 2.8Å; E948-T951 PolarHBondContact O-N 3.22Å; E948-I952 WeakPolarHBondContact O-CB 3.17Å; E948-I952 WeakPolarHBondContact O-CD1 3.2Å; E948-I952 VanDerWaalsContact O-CG1 3.23Å; E948-I952 WeakPolarHBondContact O-CG1 3.47Å; E948-I952 PolarHBondContact O-N 3.5Å |
| 949 | Y | 47.8 | Very low | 37.6 | Very low | 140 Ų | 140 | 117.1 Ų | 117.1 | 55% | 0.549 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.8 | -43.1 | 176.4 | -178.9 | -100 | 0 | 0 | 0 | 112.9 | L945 E946 T951 I952 K953 | L945-Y949 WeakPolarHBondContact O-CB 3.47Å; L945-Y949 PolarHBondContact O-N 3.3Å; E946-Y949 PolarHBondContact O-N 3.05Å; Y949-T951 VanDerWaalsContact C-N 3.29Å; Y949-T951 PolarHBondContact O-N 2.79Å; Y949-I952 PolarHBondContact O-N 3.11Å; Y949-K953 HydrophobicContact CE1-CD 4.11Å; Y949-K953 WeakPolarHBondContact O-CB 3.41Å; Y949-K953 PolarHBondContact O-N 3.28Å |
| 950 | E | 41.7 | Very low | 37.6 | Very low | 107 Ų | 107 | 118.6 Ų | 118.6 | 50% | 0.5 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63 | -36 | 173.8 | -84.7 | -95.4 | 145 | 0 | 0 | 111.8 | E946 K954 | E946-E950 WeakPolarHBondContact O-CB 3.18Å; E946-E950 WeakPolarHBondContact O-CG 3.42Å; E946-E950 PolarHBondContact O-N 3.2Å; E950-K954 WeakPolarHBondContact O-CB 3.49Å; E950-K954 PolarHBondContact O-N 3.06Å |
| 951 | T | 42.7 | Very low | 37.5 | Very low | 76 Ų | 76 | 117 Ų | 117 | 47% | 0.466 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -70.2 | -44.5 | 177.9 | -50.7 | 0 | 0 | 0 | 0 | 110.9 | H947 E948 Y949 K954 Y955 | H947-T951 WeakPolarHBondContact O-CB 3.23Å; H947-T951 PolarHBondContact O-N 3.05Å; H947-T951 PolarHBondContact O-OG1 2.96Å; E948-T951 PolarHBondContact O-N 3.22Å; Y949-T951 VanDerWaalsContact C-N 3.29Å; Y949-T951 PolarHBondContact O-N 2.79Å; T951-K954 PolarHBondContact O-N 2.64Å; T951-Y955 PolarHBondContact O-N 3.17Å |
| 952 | I | 46.1 | Very low | 37.3 | Very low | 99 Ų | 99 | 114.4 Ų | 114.4 | 51% | 0.508 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.9 | -42.2 | 174.7 | -67.5 | 163.7 | 0 | 0 | 0 | 110.4 | E948 Y949 K954 Y955 V956 | E948-I952 WeakPolarHBondContact O-CB 3.17Å; E948-I952 WeakPolarHBondContact O-CD1 3.2Å; E948-I952 VanDerWaalsContact O-CG1 3.23Å; E948-I952 WeakPolarHBondContact O-CG1 3.47Å; E948-I952 PolarHBondContact O-N 3.5Å; Y949-I952 PolarHBondContact O-N 3.11Å; I952-K954 PolarHBondContact O-N 3.29Å; I952-Y955 CarbonylContact O-C 3.43Å; I952-Y955 WeakPolarHBondContact O-CA 3.46Å; I952-Y955 WeakPolarHBondContact O-CB 3.38Å; I952-Y955 PolarHBondContact O-N 3.47Å; I952-V956 HydrophobicContact CG2-CG2 4.17Å; I952-V956 WeakPolarHBondContact O-CB 3.37Å; I952-V956 VanDerWaalsContact O-CG2 3.28Å; I952-V956 WeakPolarHBondContact O-CG2 3.42Å; I952-V956 PolarHBondContact O-N 3.29Å |
| 953 | K | 38.4 | Very low | 36.5 | Very low | 90 Ų | 90 | 118.1 Ų | 118.1 | 39% | 0.391 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.7 | -39.2 | 177.3 | -169.4 | 179.1 | 178.9 | -168.9 | 0 | 111.5 | Y949 Y955 V956 D957 | Y949-K953 HydrophobicContact CE1-CD 4.11Å; Y949-K953 WeakPolarHBondContact O-CB 3.41Å; Y949-K953 PolarHBondContact O-N 3.28Å; K953-Y955 VanDerWaalsContact C-N 3.29Å; K953-Y955 PolarHBondContact O-N 3.17Å; K953-V956 PolarHBondContact O-N 3.16Å; K953-D957 WeakPolarHBondContact CE-OD2 3.17Å; K953-D957 WeakPolarHBondContact CG-OD2 3.49Å; K953-D957 VanDerWaalsContact O-CB 3.24Å; K953-D957 WeakPolarHBondContact O-CB 3.29Å; K953-D957 PolarHBondContact O-N 3.24Å |
| 954 | K | 37.1 | Very low | 36.1 | Very low | 148 Ų | 148 | 121.3 Ų | 121.3 | 64% | 0.643 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.8 | -33.5 | 169.9 | -86 | -179.1 | 178.7 | 174.1 | 0 | 112.8 | E950 T951 I952 T958 | E950-K954 WeakPolarHBondContact O-CB 3.49Å; E950-K954 PolarHBondContact O-N 3.06Å; T951-K954 PolarHBondContact O-N 2.64Å; I952-K954 PolarHBondContact O-N 3.29Å; K954-T958 PolarHBondContact O-OG1 3.29Å |
| 955 | Y | 36.7 | Very low | 35.2 | Very low | 192 Ų | 192 | 123.5 Ų | 123.5 | 75% | 0.753 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -75.3 | -24 | 176.9 | -137.5 | -87.2 | 0 | 0 | 0 | 113.2 | T951 I952 K953 T958 | T951-Y955 PolarHBondContact O-N 3.17Å; I952-Y955 CarbonylContact O-C 3.43Å; I952-Y955 WeakPolarHBondContact O-CA 3.46Å; I952-Y955 WeakPolarHBondContact O-CB 3.38Å; I952-Y955 PolarHBondContact O-N 3.47Å; K953-Y955 VanDerWaalsContact C-N 3.29Å; K953-Y955 PolarHBondContact O-N 3.17Å; Y955-T958 PolarHBondContact O-OG1 3.33Å |
| 956 | V | 37.8 | Very low | 34.6 | Very low | 65 Ų | 65 | 123.1 Ų | 123.1 | 39% | 0.394 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -103.4 | -33 | -176.6 | 175.8 | 0 | 0 | 0 | 0 | 112.5 | I952 K953 T958 S959 | I952-V956 HydrophobicContact CG2-CG2 4.17Å; I952-V956 WeakPolarHBondContact O-CB 3.37Å; I952-V956 VanDerWaalsContact O-CG2 3.28Å; I952-V956 WeakPolarHBondContact O-CG2 3.42Å; I952-V956 PolarHBondContact O-N 3.29Å; K953-V956 PolarHBondContact O-N 3.16Å; V956-T958 PolarHBondContact O-N 3.05Å; V956-S959 WeakPolarHBondContact O-CA 3.47Å; V956-S959 WeakPolarHBondContact O-CB 3.37Å; V956-S959 PolarHBondContact O-N 3.03Å; V956-S959 PolarHBondContact O-OG 2.61Å |
| 957 | D | 33 | Very low | 33.9 | Very low | 89 Ų | 89 | 124.5 Ų | 124.5 | 48% | 0.476 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -64.9 | -21.2 | 174.7 | -84.2 | -20.3 | 0 | 0 | 0 | 111.8 | K953 S959 | K953-D957 WeakPolarHBondContact CE-OD2 3.17Å; K953-D957 WeakPolarHBondContact CG-OD2 3.49Å; K953-D957 VanDerWaalsContact O-CB 3.24Å; K953-D957 WeakPolarHBondContact O-CB 3.29Å; K953-D957 PolarHBondContact O-N 3.24Å; D957-S959 VanDerWaalsContact C-N 3.26Å; D957-S959 PolarHBondContact O-N 3.45Å |
| 958 | T | 39.4 | Very low | 33.4 | Very low | 103 Ų | 103 | 122.7 Ų | 122.7 | 63% | 0.632 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -21 | 168.3 | 43.5 | 0 | 0 | 0 | 0 | 113.4 | K954 Y955 V956 | K954-T958 PolarHBondContact O-OG1 3.29Å; Y955-T958 PolarHBondContact O-OG1 3.33Å; V956-T958 PolarHBondContact O-N 3.05Å |
| 959 | S | 29.7 | Very low | 32.5 | Very low | 84 Ų | 84 | 124.7 Ų | 124.7 | 59% | 0.587 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | 3.1 | 179.3 | 72.7 | 0 | 0 | 0 | 0 | 114.4 | V956 D957 | V956-S959 WeakPolarHBondContact O-CA 3.47Å; V956-S959 WeakPolarHBondContact O-CB 3.37Å; V956-S959 PolarHBondContact O-N 3.03Å; V956-S959 PolarHBondContact O-OG 2.61Å; D957-S959 VanDerWaalsContact C-N 3.26Å; D957-S959 PolarHBondContact O-N 3.45Å |
| 960 | R | 27.9 | Very low | 31.3 | Very low | 192 Ų | 192 | 120.8 Ų | 120.8 | 73% | 0.725 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -109.6 | 134.2 | 165.7 | -70.2 | -170.5 | 178.7 | -163.9 | 1.1 | 109.6 | T962 | R960-T962 PolarHBondContact O-N 3.23Š|
| 961 | P | 27 | Very low | 30.5 | Very low | 128 Ų | 128 | 126.4 Ų | 126.4 | 83% | 0.831 | 66% | 0.664 | S | S | * | * | trans | -65.5 | 92.3 | 163.9 | 28.1 | -30.4 | 0 | 0 | 0 | 107.2 | L963 | P961-L963 PolarHBondContact O-N 3.07Š| ||
| 962 | T | 26.2 | Very low | 29.4 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 60% | 0.595 | 68% | 0.681 | S | S | * | * | trans | -60 | 108.3 | 159.5 | 15.5 | 0 | 0 | 0 | 0 | 105.1 | R960 Y964 | R960-T962 PolarHBondContact O-N 3.23Å; T962-Y964 PolarHBondContact O-N 2.83Å | ||
| 963 | L | 22.7 | Very low | 28.3 | Very low | 147 Ų | 147 | 132.4 Ų | 132.4 | 77% | 0.77 | 69% | 0.693 | S | S | * | * | trans | -60.7 | 89.2 | 170.3 | -160.8 | 101.4 | 0 | 0 | 0 | 106.4 | P961 L965 | P961-L963 PolarHBondContact O-N 3.07Å; L963-L965 HydrophobicContact CD2-CD1 3.79Å; L963-L965 HydrophobicContact CD2-CG 3.92Å; L963-L965 PolarHBondContact O-N 2.89Å | ||
| 964 | Y | 25.7 | Very low | 27.4 | Very low | 205 Ų | 205 | 132.2 Ų | 132.2 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | trans | -63.7 | 88.3 | 165.7 | -85.5 | -89.7 | 0 | 0 | 0 | 106.2 | T962 P966 | T962-Y964 PolarHBondContact O-N 2.83Å; Y964-P966 WeakPolarHBondContact O-CD 3.41Å | ||
| 965 | L | 22 | Very low | 26.7 | Very low | 134 Ų | 134 | 134.5 Ų | 134.5 | 70% | 0.702 | 71% | 0.713 | S | S | * | * | trans | -63.5 | 113 | 160.3 | -93.8 | 146.1 | 0 | 0 | 0 | 105.9 | L963 T967 | L963-L965 HydrophobicContact CD2-CD1 3.79Å; L963-L965 HydrophobicContact CD2-CG 3.92Å; L963-L965 PolarHBondContact O-N 2.89Å; L965-T967 PolarHBondContact O-N 3.22Å | ||
| 966 | P | 26.8 | Very low | 26 | Very low | 104 Ų | 104 | 134.4 Ų | 134.4 | 68% | 0.675 | 71% | 0.713 | S | S | * | * | trans | -62.5 | 113.3 | -179.1 | -18.2 | 31.5 | 0 | 0 | 0 | 109 | Y964 S968 | Y964-P966 WeakPolarHBondContact O-CD 3.41Å; P966-S968 PolarHBondContact O-N 2.72Å | ||
| 967 | T | 23.5 | Very low | 25.2 | Very low | 149 Ų | 149 | 138.5 Ų | 138.5 | 91% | 0.914 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -73.1 | 69.5 | 167.6 | 45 | 0 | 0 | 0 | 0 | 109.3 | L965 | L965-T967 PolarHBondContact O-N 3.22Š|
| 968 | S | 26.7 | Very low | 24.7 | Very low | 101 Ų | 101 | 141.7 Ų | 141.7 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | trans | -161 | 54.3 | 165.6 | 69.6 | 0 | 0 | 0 | 0 | 111.2 | P966 | P966-S968 PolarHBondContact O-N 2.72Š| ||
| 969 | L | 22.9 | Very low | 23.8 | Very low | 168 Ų | 168 | 140.7 Ų | 140.7 | 88% | 0.88 | 76% | 0.755 | S | S | * | * | trans | -118.2 | 73.4 | 163 | -89.9 | 157.1 | 0 | 0 | 0 | 107.9 | ||||
| 970 | G | 23.2 | Very low | 23.5 | Very low | 58 Ų | 58 | 140.2 Ų | 140.2 | 60% | 0.598 | 76% | 0.763 | S | S | * | * | trans | -127.8 | 132.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 971 | Y | 24.9 | Very low | 23.1 | Very low | 226 Ų | 226 | 136.2 Ų | 136.2 | 89% | 0.886 | 77% | 0.765 | S | S | * | * | trans | 87.6 | 63.2 | -178.5 | -55.1 | -79.3 | 0 | 0 | 0 | 116.7 | H973 | Y971-H973 PolarHBondContact O-N 3.15Š| ||
| 972 | V | 20.4 | Very low | 22.8 | Very low | 136 Ų | 136 | 134.8 Ų | 134.8 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | trans | -77.8 | 100.7 | 147.6 | 178.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 973 | H | 22.9 | Very low | 22.6 | Very low | 165 Ų | 165 | 136.8 Ų | 136.8 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | trans | -86.4 | 115.2 | 161.1 | -121.2 | -60.7 | 0 | 0 | 0 | 108 | Y971 | Y971-H973 PolarHBondContact O-N 3.15Š| ||
| 974 | S | 19.1 | Very low | 22.5 | Very low | 85 Ų | 85 | 137.5 Ų | 137.5 | 59% | 0.594 | 76% | 0.764 | S | S | * | * | trans | -55.8 | 132 | 168 | 51.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 975 | F | 22.8 | Very low | 22.4 | Very low | 196 Ų | 196 | 135.3 Ų | 135.3 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | -160.9 | 108.7 | 141.8 | -99.5 | -71.4 | 0 | 0 | 0 | 111.5 | ||||
| 976 | Y | 22 | Very low | 22.3 | Very low | 191 Ų | 191 | 137.5 Ų | 137.5 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | trans | 8.6 | 130.3 | 146 | -85.3 | -96.2 | 0 | 0 | 0 | 122.6 | ||||
| 977 | E | 20.3 | Very low | 22.1 | Very low | 151 Ų | 151 | 143.2 Ų | 143.2 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | 53.1 | 146.4 | 124.7 | -73.5 | -175.2 | 161.1 | 0 | 0 | 124 | |||||
| 978 | N | 23.5 | Very low | 21.8 | Very low | 155 Ų | 155 | 147.4 Ų | 147.4 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | trans | 85.8 | 114.6 | 170 | -53.6 | -38.5 | 0 | 0 | 0 | 114.1 | ||||
| 979 | G | 20 | Very low | 21.7 | Very low | 83 Ų | 83 | 147.9 Ų | 147.9 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | cis | 92.4 | 103 | 43.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 980 | G | 22.3 | Very low | 21.5 | Very low | 74 Ų | 74 | 145 Ų | 145 | 76% | 0.763 | 77% | 0.773 | S | S | * | * | trans | 154.4 | 99 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 981 | S | 20.8 | Very low | 21.5 | Very low | 108 Ų | 108 | 147.6 Ų | 147.6 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -20.4 | 151.2 | 151.9 | 51.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 982 | S | 21 | Very low | 21.5 | Very low | 97 Ų | 97 | 140.2 Ų | 140.2 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | trans | 75.3 | 129.9 | 137.6 | 50.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 983 | D | 21.9 | Very low | 21.7 | Very low | 139 Ų | 139 | 141.1 Ų | 141.1 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | trans | 79.1 | 117.1 | 145.7 | -64.1 | -24.4 | 0 | 0 | 0 | 122.5 | ||||
| 984 | H | 20.2 | Very low | 21.7 | Very low | 162 Ų | 162 | 142.2 Ų | 142.2 | 75% | 0.75 | 78% | 0.784 | S | S | * | * | trans | 47 | 135.5 | 132.3 | -79.9 | -72.4 | 0 | 0 | 0 | 122.7 | ||||
| 985 | H | 22.9 | Very low | 21.9 | Very low | 160 Ų | 160 | 145 Ų | 145 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | trans | 93 | 101.5 | 156.8 | -67.5 | -68.5 | 0 | 0 | 0 | 120.1 | ||||
| 986 | M | 19.2 | Very low | 22.5 | Very low | 179 Ų | 179 | 140.6 Ų | 140.6 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | 44.1 | 100.5 | 115.3 | -140.7 | 177.4 | -157.2 | 0 | 0 | 117.6 | |||||
| 987 | Y | 23.2 | Very low | 22.5 | Very low | 224 Ų | 224 | 138.5 Ų | 138.5 | 88% | 0.878 | 78% | 0.783 | S | S | * | * | trans | -142.4 | 122.9 | 154.1 | -106.6 | -86.4 | 0 | 0 | 0 | 111.4 | ||||
| 988 | R | 18.4 | Very low | 22.7 | Very low | 238 Ų | 238 | 137.9 Ų | 137.9 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | trans | -92.2 | 142.9 | 158.9 | -88.9 | -178 | 172.7 | 176.5 | -2.1 | 108.8 | ||||
| 989 | P | 23 | Very low | 22.8 | Very low | 111 Ų | 111 | 139.5 Ų | 139.5 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | -128.9 | 119.2 | 127.1 | 31.3 | -17.8 | 0 | 0 | 0 | 108.9 | |||||
| 990 | S | 20.5 | Very low | 22.9 | Very low | 108 Ų | 108 | 142.1 Ų | 142.1 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | 70.2 | 118.9 | 78.5 | 72.7 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 991 | A | 22.9 | Very low | 23 | Very low | 111 Ų | 111 | 147.2 Ų | 147.2 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | trans | 92.2 | 111.1 | 150.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 992 | G | 24.5 | Very low | 23.3 | Very low | 71 Ų | 71 | 147.2 Ų | 147.2 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | trans | 166.8 | 76.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 993 | N | 24.7 | Very low | 23.6 | Very low | 155 Ų | 155 | 152 Ų | 152 | 83% | 0.829 | 81% | 0.812 | S | S | * | * | trans | 47.4 | 106.8 | 153.7 | -56.9 | -14.4 | 0 | 0 | 0 | 119.7 | ||||
| 994 | F | 22.6 | Very low | 23.7 | Very low | 188 Ų | 188 | 156.3 Ų | 156.3 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | 57.3 | 90.4 | 90.3 | -90.1 | -86.7 | 0 | 0 | 0 | 116.5 | |||||
| 995 | I | 22.5 | Very low | 23.9 | Very low | 143 Ų | 143 | 154.1 Ų | 154.1 | 73% | 0.733 | 82% | 0.821 | S | S | * | * | 44.9 | 146.1 | 119.8 | -55.8 | 173.6 | 0 | 0 | 0 | 119.3 | |||||
| 996 | P | 36.7 | Very low | 24 | Very low | 104 Ų | 104 | 150.8 Ų | 150.8 | 68% | 0.675 | 82% | 0.821 | S | S | * | * | cis | -135.5 | 176.2 | -20.8 | 36.4 | -17.3 | 0 | 0 | 0 | 115.9 | ||||
| 997 | D | 21.5 | Very low | 24.2 | Very low | 147 Ų | 147 | 152 Ų | 152 | 79% | 0.786 | 82% | 0.823 | S | S | * | * | trans | 13 | 119.6 | 145.9 | -58.8 | -36.5 | 0 | 0 | 0 | 119.7 | ||||
| 998 | T | 24 | Very low | 24.2 | Very low | 139 Ų | 139 | 149.7 Ų | 149.7 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | -178.9 | 148.5 | 123.6 | 21.9 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 999 | E | 25.6 | Very low | 24.4 | Very low | 188 Ų | 188 | 143.3 Ų | 143.3 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | trans | 83.6 | 55.2 | 172 | -57 | -177.6 | 173.5 | 0 | 0 | 118.2 | Q1001 | E999-Q1001 VanDerWaalsContact C-N 3.31Å; E999-Q1001 PolarHBondContact O-N 3.21Å | ||
| 1000 | C | 22.7 | Very low | 24.5 | Very low | 139 Ų | 139 | 143.9 Ų | 143.9 | 94% | 0.939 | 81% | 0.812 | S | S | * | * | trans | -85.1 | 74.7 | 142.3 | -90.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1001 | Q | 23.9 | Very low | 24.7 | Very low | 180 Ų | 180 | 146.1 Ų | 146.1 | 84% | 0.841 | 82% | 0.816 | S | S | * | * | trans | -151 | 100.3 | 161.7 | -82.4 | -165.5 | -20.2 | 0 | 0 | 109.2 | E999 | E999-Q1001 VanDerWaalsContact C-N 3.31Å; E999-Q1001 PolarHBondContact O-N 3.21Å | ||
| 1002 | S | 26.7 | Very low | 24.8 | Very low | 109 Ų | 109 | 152.1 Ų | 152.1 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | trans | 170.2 | 77.5 | 147.1 | 43.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1003 | E | 27 | Very low | 24.8 | Very low | 196 Ų | 196 | 151.4 Ų | 151.4 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -115.8 | 7 | 152.2 | -97.5 | -174 | 169.7 | 0 | 0 | 112.9 | ||
| 1004 | Y | 24.9 | Very low | 24.7 | Very low | 230 Ų | 230 | 152.9 Ų | 152.9 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | trans | -117.1 | 72.4 | 171.1 | -73.9 | -83.5 | 0 | 0 | 0 | 110.9 | ||||
| 1005 | C | 24.1 | Very low | 24.8 | Very low | 116 Ų | 116 | 156 Ų | 156 | 78% | 0.784 | 82% | 0.817 | S | S | * | * | trans | -119 | 104.3 | 156.1 | -87.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1006 | A | 25.3 | Very low | 24.9 | Very low | 90 Ų | 90 | 156.2 Ų | 156.2 | 74% | 0.744 | 82% | 0.82 | S | S | * | * | trans | -44.7 | 136.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | H1008 | A1006-H1008 PolarHBondContact O-N 3.46Š| ||
| 1007 | F | 24.5 | Very low | 24.1 | Very low | 206 Ų | 206 | 154.8 Ų | 154.8 | 90% | 0.904 | 82% | 0.824 | S | S | * | * | trans | -45.7 | 98 | 171.2 | -84.4 | -101.3 | 0 | 0 | 0 | 111.2 | ||||
| 1008 | H | 21.8 | Very low | 24.3 | Very low | 174 Ų | 174 | 156.9 Ų | 156.9 | 81% | 0.806 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 133 | 153.6 | -99.4 | -74.7 | 0 | 0 | 0 | 108 | A1006 | A1006-H1008 PolarHBondContact O-N 3.46Š|
| 1009 | P | 22.7 | Very low | 24.5 | Very low | 105 Ų | 105 | 154 Ų | 154 | 68% | 0.682 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 132.3 | -170.9 | 27 | -32.6 | 0 | 0 | 0 | 110.3 | D1011 | P1009-D1011 PolarHBondContact O-N 3.01Š|
| 1010 | P | 26.6 | Very low | 24.6 | Very low | 122 Ų | 122 | 150.7 Ų | 150.7 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 127 | 178.5 | 28 | -30.3 | 0 | 0 | 0 | 109.9 | ||
| 1011 | D | 23.7 | Very low | 25 | Very low | 155 Ų | 155 | 150.1 Ų | 150.1 | 83% | 0.829 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 142.4 | 171.2 | -83.7 | -45.6 | 0 | 0 | 0 | 112.5 | P1009 G1013 | P1009-D1011 PolarHBondContact O-N 3.01Å; D1011-G1013 PolarHBondContact O-N 3.35Å; D1011-G1013 VanDerWaalsContact O-N 3.12Å |
| 1012 | Y | 25.8 | Very low | 25.2 | Very low | 237 Ų | 237 | 149.9 Ų | 149.9 | 93% | 0.929 | 80% | 0.803 | S | S | * | * | trans | -46.5 | 106.9 | 175.9 | -75.4 | -98.9 | 0 | 0 | 0 | 112.9 | ||||
| 1013 | G | 23.4 | Very low | 25.3 | Very low | 56 Ų | 56 | 151.7 Ų | 151.7 | 58% | 0.577 | 80% | 0.799 | S | S | * | * | trans | -136 | 103.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | D1011 W1015 | D1011-G1013 PolarHBondContact O-N 3.35Å; D1011-G1013 VanDerWaalsContact O-N 3.12Å; G1013-W1015 PolarHBondContact O-N 3.37Å | ||
| 1014 | H | 23.3 | Very low | 25.5 | Very low | 187 Ų | 187 | 148.9 Ų | 148.9 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | trans | -34.3 | 119.5 | 172.5 | -71.2 | -77.2 | 0 | 0 | 0 | 114.3 | ||||
| 1015 | W | 24 | Very low | 25.6 | Very low | 252 Ų | 252 | 146.6 Ų | 146.6 | 96% | 0.955 | 79% | 0.787 | S | S | * | * | trans | -120.3 | 109.5 | 160.5 | -88.5 | 78.7 | 0 | 0 | 0 | 110.8 | G1013 | G1013-W1015 PolarHBondContact O-N 3.37Š| ||
| 1016 | N | 24.1 | Very low | 25.8 | Very low | 149 Ų | 149 | 148.8 Ų | 148.8 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | -60.6 | 139.3 | 176.3 | -76.6 | -39.2 | 0 | 0 | 0 | 111.3 | ||||
| 1017 | G | 21.3 | Very low | 26 | Very low | 74 Ų | 74 | 154.7 Ų | 154.7 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | trans | -64.1 | 131.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1018 | Q | 25.1 | Very low | 26.2 | Very low | 191 Ų | 191 | 153.5 Ų | 153.5 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | trans | -158.6 | 117.3 | 148.7 | -109.5 | 174.8 | 7.1 | 0 | 0 | 111 | ||||
| 1019 | A | 27.3 | Very low | 26.6 | Very low | 79 Ų | 79 | 154 Ų | 154 | 65% | 0.653 | 79% | 0.793 | S | S | * | * | trans | 59.6 | 89.7 | 147.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1020 | V | 29.5 | Very low | 26.8 | Very low | 118 Ų | 118 | 153.2 Ų | 153.2 | 72% | 0.715 | 79% | 0.79 | S | S | * | * | trans | -113 | 18.9 | 152.1 | -171.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1021 | T | 29.6 | Very low | 27.1 | Very low | 127 Ų | 127 | 154 Ų | 154 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -83.8 | -2.5 | 175.1 | 30 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1022 | Q | 29.5 | Very low | 27.4 | Very low | 174 Ų | 174 | 151.6 Ų | 151.6 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -101.9 | -12.1 | 179.4 | -88.7 | -176.3 | -17.5 | 0 | 0 | 116.2 | ||
| 1023 | Q | 29 | Very low | 27.5 | Very low | 147 Ų | 147 | 147.5 Ų | 147.5 | 69% | 0.687 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -89.7 | -12.1 | 177.8 | -81.9 | -173.3 | -12.1 | 0 | 0 | 114.8 | ||
| 1024 | L | 29.5 | Very low | 27.9 | Very low | 137 Ų | 137 | 152.9 Ų | 152.9 | 72% | 0.717 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -80.9 | -20.3 | 178.8 | -92.2 | 152.3 | 0 | 0 | 0 | 113.9 | ||
| 1025 | H | 28 | Very low | 28 | Very low | 182 Ų | 182 | 152.1 Ų | 152.1 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -83.3 | -19.4 | -177.9 | -124.6 | 28.5 | 0 | 0 | 0 | 114.3 | ||
| 1026 | H | 28.8 | Very low | 28.2 | Very low | 163 Ų | 163 | 145.3 Ų | 145.3 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -94.3 | -7.6 | -177.3 | -130.1 | -65.5 | 0 | 0 | 0 | 114.7 | ||
| 1027 | R | 29.4 | Very low | 28.6 | Very low | 214 Ų | 214 | 147.5 Ų | 147.5 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -90 | -7.2 | -177.9 | -79.2 | -172.9 | 176 | -174.7 | 0.4 | 115.1 | ||
| 1028 | M | 27.8 | Very low | 28.7 | Very low | 180 Ų | 180 | 150.3 Ų | 150.3 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -91.9 | -0.3 | -177.9 | -89.7 | -175.1 | 172.2 | 0 | 0 | 115.6 | ||
| 1029 | M | 30.2 | Very low | 29 | Very low | 184 Ų | 184 | 147.2 Ų | 147.2 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -122.3 | 15.6 | -174.7 | -74.4 | -163.9 | -163.8 | 0 | 0 | 117.1 | ||
| 1030 | S | 28.2 | Very low | 29 | Very low | 90 Ų | 90 | 151.5 Ų | 151.5 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | trans | -155.4 | 81.9 | 176.4 | 62.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1031 | V | 32.5 | Very low | 28.8 | Very low | 139 Ų | 139 | 156.8 Ų | 156.8 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | trans | -158.8 | 108.4 | 140.7 | -174.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 1032 | P | 29.4 | Very low | 28.8 | Very low | 104 Ų | 104 | 160.4 Ų | 160.4 | 68% | 0.675 | 80% | 0.795 | S | S | * | * | trans | -87.4 | 159.2 | 158.6 | 31.8 | -22.7 | 0 | 0 | 0 | 111.1 | ||||
| 1033 | D | 28.4 | Very low | 28.7 | Very low | 151 Ų | 151 | 160.9 Ų | 160.9 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | trans | 72.1 | 88.4 | 167.5 | -55.9 | -24.3 | 0 | 0 | 0 | 118.3 | ||||
| 1034 | L | 31.1 | Very low | 28.5 | Very low | 169 Ų | 169 | 160.1 Ų | 160.1 | 89% | 0.885 | 80% | 0.803 | S | S | * | * | trans | -164.1 | 67.7 | 146.3 | -103.5 | 154.6 | 0 | 0 | 0 | 109.8 | ||||
| 1035 | L | 26.6 | Very low | 28.6 | Very low | 170 Ų | 170 | 168.9 Ų | 168.9 | 89% | 0.89 | 83% | 0.827 | S | S | * | * | trans | -136.5 | 108.3 | 164.4 | -82.1 | 167.8 | 0 | 0 | 0 | 108.9 | ||||
| 1036 | P | 28.3 | Very low | 28.6 | Very low | 109 Ų | 109 | 168.2 Ų | 168.2 | 71% | 0.708 | 83% | 0.826 | S | S | * | * | trans | -131.9 | 93.9 | 147.9 | 34.1 | -17.9 | 0 | 0 | 0 | 109.4 | ||||
| 1037 | F | 31.4 | Very low | 28.6 | Very low | 196 Ų | 196 | 168.5 Ų | 168.5 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | trans | -120.8 | 91.4 | 155.3 | -87.1 | -77 | 0 | 0 | 0 | 108.3 | V1039 | F1037-V1039 PolarHBondContact O-N 3.38Š| ||
| 1038 | D | 24.2 | Very low | 28.5 | Very low | 132 Ų | 132 | 165.9 Ų | 165.9 | 71% | 0.706 | 83% | 0.831 | S | S | * | * | trans | -70.3 | 95.9 | 173.5 | -166.4 | 15.3 | 0 | 0 | 0 | 108.7 | ||||
| 1039 | V | 30.9 | Very low | 28.6 | Very low | 127 Ų | 127 | 165.1 Ų | 165.1 | 77% | 0.77 | 83% | 0.827 | S | S | * | * | trans | -101.1 | 88.9 | 170.5 | -176.1 | 0 | 0 | 0 | 0 | 108.2 | F1037 Y1041 | F1037-V1039 PolarHBondContact O-N 3.38Å; V1039-Y1041 PolarHBondContact O-N 3.26Å | ||
| 1040 | K | 26.8 | Very low | 28.5 | Very low | 168 Ų | 168 | 163.9 Ų | 163.9 | 73% | 0.73 | 82% | 0.823 | S | S | * | * | trans | -59.5 | 122 | 171.1 | -77.3 | 176.8 | 177.5 | 171.7 | 0 | 110.7 | K1042 | K1040-K1042 PolarHBondContact O-N 3.39Š| ||
| 1041 | Y | 26.6 | Very low | 28.5 | Very low | 230 Ų | 230 | 168.9 Ų | 168.9 | 90% | 0.902 | 84% | 0.835 | S | S | * | * | trans | -51.7 | 126.4 | 158.2 | -89.2 | -98.9 | 0 | 0 | 0 | 109.6 | V1039 | V1039-Y1041 PolarHBondContact O-N 3.26Š| ||
| 1042 | K | 29.2 | Very low | 28.2 | Very low | 203 Ų | 203 | 171 Ų | 171 | 88% | 0.883 | 84% | 0.835 | S | S | * | * | trans | -115.7 | 118.8 | 161.7 | -106.5 | -176.5 | 177.1 | 179.6 | 0 | 108.8 | K1040 | K1040-K1042 PolarHBondContact O-N 3.39Š| ||
| 1043 | E | 26.7 | Very low | 28.1 | Very low | 183 Ų | 183 | 176.2 Ų | 176.2 | 86% | 0.855 | 85% | 0.847 | S | S | * | * | trans | -55.6 | 152.6 | 178.3 | -71.2 | 169.4 | 139.3 | 0 | 0 | 113.6 | ||||
| 1044 | T | 24.8 | Very low | 28.1 | Very low | 132 Ų | 132 | 178.3 Ų | 178.3 | 81% | 0.81 | 85% | 0.85 | S | S | * | * | trans | -11.2 | 136.9 | 152 | 44.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1045 | R | 30.9 | Very low | 27.8 | Very low | 320 Ų | 320 | 179.1 Ų | 179.1 | 100% | 1.208 | 85% | 0.847 | S | S | * | * | trans | -112.5 | 0 | 134.2 | -114.9 | -173.4 | -177 | -178.4 | 1.2 | 109.2 |
Retrieved 1,045 of 1,045 residues in 259.7 ms
(Link to these results)