| 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 | 37.2 | Very low | 47.9 | Very low | 205 Ų | 205 | 118.5 Ų | 118.5 | 100% | 1.01 | 61% | 0.614 | S | S | * | * | 0 | -47.2 | 0 | -141.2 | 178.5 | -168 | 0 | 0 | 113 | |||||
| 2 | F | 43.8 | Very low | 49.3 | Very low | 189 Ų | 189 | 114.9 Ų | 114.9 | 83% | 0.829 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -75.5 | -22.9 | 178.6 | -75.4 | -81.5 | 0 | 0 | 0 | 115.5 | A4 | F2-A4 VanDerWaalsContact C-N 3.31Å; F2-A4 PolarHBondContact O-N 3.22Å |
| 3 | T | 43.9 | Very low | 51.2 | Low | 124 Ų | 124 | 107.8 Ų | 107.8 | 76% | 0.761 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -68.7 | -26.5 | 172.7 | 43.5 | 0 | 0 | 0 | 0 | 113.1 | A7 | T3-A7 PolarHBondContact O-N 3.36Å |
| 4 | A | 47.1 | Very low | 53.3 | Low | 64 Ų | 64 | 100.8 Ų | 100.8 | 53% | 0.529 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -74.7 | -27.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114 | F2 | F2-A4 VanDerWaalsContact C-N 3.31Å; F2-A4 PolarHBondContact O-N 3.22Å |
| 5 | K | 45.8 | Very low | 55.1 | Low | 167 Ų | 167 | 97.5 Ų | 97.5 | 73% | 0.726 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -79.5 | -34.8 | 178.9 | -83.5 | -172.9 | 176 | -179.3 | 0 | 113.1 | A7 K8 | K5-A7 VanDerWaalsContact C-N 3.33Å; K5-K8 PolarHBondContact O-N 3.47Å |
| 6 | K | 48.3 | Very low | 56.8 | Low | 157 Ų | 157 | 99.9 Ų | 99.9 | 68% | 0.683 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -71.6 | -30.5 | 177.8 | -139.6 | 176.2 | -175.8 | -177.3 | 0 | 111.8 | S9 D10 | K6-S9 PolarHBondContact O-OG 2.77Å; K6-D10 PolarHBondContact O-N 3.31Å |
| 7 | A | 50.7 | Low | 58.4 | Low | 42 Ų | 42 | 100.2 Ų | 100.2 | 35% | 0.347 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.6 | -45.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T3 K5 S9 L11 | T3-A7 PolarHBondContact O-N 3.36Å; K5-A7 VanDerWaalsContact C-N 3.33Å; A7-S9 VanDerWaalsContact C-N 3.35Å; A7-S9 PolarHBondContact O-N 3.48Å; A7-L11 HydrophobicContact CB-CD2 4.07Å; A7-L11 WeakPolarHBondContact O-CB 3.46Å; A7-L11 WeakPolarHBondContact O-CD2 3.12Å; A7-L11 VanDerWaalsContact O-CG 3.24Å; A7-L11 WeakPolarHBondContact O-CG 3.16Å; A7-L11 PolarHBondContact O-N 3.14Å |
| 8 | K | 48.8 | Very low | 59.9 | Low | 153 Ų | 153 | 94.7 Ų | 94.7 | 67% | 0.665 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.3 | -33.3 | -178.2 | -85.9 | -170.5 | 173.4 | -173.7 | 0 | 114.6 | K5 S12 | K5-K8 PolarHBondContact O-N 3.47Å; K8-S12 PolarHBondContact O-N 3.5Å |
| 9 | S | 55.1 | Low | 61 | Low | 73 Ų | 73 | 91.7 Ų | 91.7 | 51% | 0.51 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -82.6 | -38.3 | -177.9 | 61.5 | 0 | 0 | 0 | 0 | 114.3 | K6 A7 L11 S12 | K6-S9 PolarHBondContact O-OG 2.77Å; A7-S9 VanDerWaalsContact C-N 3.35Å; A7-S9 PolarHBondContact O-N 3.48Å; S9-L11 PolarHBondContact O-N 3.32Å; S9-S12 PolarHBondContact O-OG 2.79Å |
| 10 | D | 53.6 | Low | 62.2 | Low | 118 Ų | 118 | 89.6 Ų | 89.6 | 63% | 0.631 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -71.9 | -20.3 | 174.3 | -82 | -24.9 | 0 | 0 | 0 | 111.8 | K6 S14 | K6-D10 PolarHBondContact O-N 3.31Å; D10-S14 PolarHBondContact O-OG 3.45Å |
| 11 | L | 53 | Low | 63 | Low | 12 Ų | 12 | 88.5 Ų | 88.5 | 6% | 0.063 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -89.2 | -33.7 | -177.8 | -83.5 | -77.1 | 0 | 0 | 0 | 116.4 | A7 S9 G13 S14 I15 Q38 F39 | A7-L11 HydrophobicContact CB-CD2 4.07Å; A7-L11 WeakPolarHBondContact O-CB 3.46Å; A7-L11 WeakPolarHBondContact O-CD2 3.12Å; A7-L11 VanDerWaalsContact O-CG 3.24Å; A7-L11 WeakPolarHBondContact O-CG 3.16Å; A7-L11 PolarHBondContact O-N 3.14Å; S9-L11 PolarHBondContact O-N 3.32Å; L11-G13 PolarHBondContact O-N 3.37Å; L11-S14 WeakPolarHBondContact O-CA 3.48Å; L11-S14 WeakPolarHBondContact O-CB 3.46Å; L11-S14 PolarHBondContact O-N 2.99Å; L11-I15 PolarHBondContact O-N 3.03Å; L11-Q38 HydrophobicContact CD1-CB 4.47Å; L11-F39 HydrophobicContact CB-CE2 3.54Å; L11-F39 HydrophobicContact CB-CZ 4.16Å; L11-F39 HydrophobicContact CD1-CD2 4.05Å; L11-F39 HydrophobicContact CD1-CE2 3.69Å; L11-F39 HydrophobicContact CD2-CD2 3.93Å; L11-F39 HydrophobicContact CD2-CE2 2.98Å; L11-F39 HydrophobicContact CD2-CZ 3.39Å; L11-F39 HydrophobicContact CG-CD2 4.36Å; L11-F39 HydrophobicContact CG-CE2 3.51Å; L11-F39 HydrophobicContact CG-CZ 4.26Å |
| 12 | S | 64.7 | Low | 65.1 | Low | 75 Ų | 75 | 89.2 Ų | 89.2 | 52% | 0.524 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60 | -32.2 | 170.2 | 59.4 | 0 | 0 | 0 | 0 | 110.6 | K8 S9 S14 L16 | K8-S12 PolarHBondContact O-N 3.5Å; S9-S12 PolarHBondContact O-OG 2.79Å; S12-S14 VanDerWaalsContact C-N 3.3Å; S12-S14 PolarHBondContact O-N 3.03Å; S12-L16 PolarHBondContact O-N 2.94Å |
| 13 | G | 74.2 | Confident | 67.1 | Low | 22 Ų | 22 | 84.1 Ų | 84.1 | 23% | 0.227 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -64.3 | -28.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114 | L11 R17 | L11-G13 PolarHBondContact O-N 3.37Å; G13-R17 WeakPolarHBondContact O-CB 3.36Å; G13-R17 VanDerWaalsContact O-CD 3.31Å; G13-R17 WeakPolarHBondContact O-CD 3.33Å; G13-R17 WeakPolarHBondContact O-CG 3.44Å; G13-R17 PolarHBondContact O-N 2.76Å |
| 14 | S | 80.2 | Confident | 69 | Low | 10 Ų | 10 | 84.3 Ų | 84.3 | 7% | 0.07 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -72.9 | -42 | 178.5 | -65.4 | 0 | 0 | 0 | 0 | 112.3 | D10 L11 S12 R17 F18 | D10-S14 PolarHBondContact O-OG 3.45Å; L11-S14 WeakPolarHBondContact O-CA 3.48Å; L11-S14 WeakPolarHBondContact O-CB 3.46Å; L11-S14 PolarHBondContact O-N 2.99Å; S12-S14 VanDerWaalsContact C-N 3.3Å; S12-S14 PolarHBondContact O-N 3.03Å; S14-R17 PolarHBondContact O-N 3.36Å; S14-F18 PolarHBondContact O-N 3.07Å |
| 15 | I | 80.3 | Confident | 70.9 | Confident | 51 Ų | 51 | 81.8 Ų | 81.8 | 26% | 0.262 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60 | -48.1 | 172.5 | -59.6 | 174.8 | 0 | 0 | 0 | 109.8 | L11 R17 F18 S19 H35 | L11-I15 PolarHBondContact O-N 3.03Å; I15-R17 PolarHBondContact O-N 3.32Å; I15-F18 WeakPolarHBondContact O-CB 3.43Å; I15-F18 PolarHBondContact O-N 3.16Å; I15-S19 PolarHBondContact O-N 3.2Å; I15-S19 PolarHBondContact O-OG 3.37Å; I15-H35 VanDerWaalsContact CD1-CE1 3.42Å; I15-H35 WeakPolarHBondContact CD1-CE1 3.25Å |
| 16 | L | 82.1 | Confident | 72.8 | Confident | 136 Ų | 136 | 76 Ų | 76 | 71% | 0.712 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -59.2 | -36.9 | 179.2 | -139.3 | 94.6 | 0 | 0 | 0 | 112.3 | S12 D20 | S12-L16 PolarHBondContact O-N 2.94Å; L16-D20 WeakPolarHBondContact O-CB 3.28Å; L16-D20 PolarHBondContact O-N 2.95Å; L16-D20 VanDerWaalsContact O-N 3.08Å |
| 17 | R | 84 | Confident | 74.7 | Confident | 105 Ų | 105 | 70.2 Ų | 70.2 | 40% | 0.396 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -75.1 | -28 | 177.5 | -72.6 | 169.5 | -173.2 | 173.8 | 4.6 | 113.3 | G13 S14 I15 R23 H31 | G13-R17 WeakPolarHBondContact O-CB 3.36Å; G13-R17 VanDerWaalsContact O-CD 3.31Å; G13-R17 WeakPolarHBondContact O-CD 3.33Å; G13-R17 WeakPolarHBondContact O-CG 3.44Å; G13-R17 PolarHBondContact O-N 2.76Å; S14-R17 PolarHBondContact O-N 3.36Å; I15-R17 PolarHBondContact O-N 3.32Å; R17-R23 VanDerWaalsContact CG-CZ 3.49Å; R17-R23 WeakPolarHBondContact O-CD 3.4Å; R17-H31 HydrophobicContact CB-CB 4.26Å; R17-H31 WeakPolarHBondContact CD-NE2 3.48Å; R17-H31 PolarHBondContact NH1-CE1 3.25Å |
| 18 | F | 85 | Confident | 76.6 | Confident | 2 Ų | 2 | 68.2 Ų | 68.2 | 1% | 0.009 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -70.8 | -45.5 | 171.1 | 149.8 | -105.8 | 0 | 0 | 0 | 110.8 | S14 I15 D20 R28 L32 F49 H53 E56 L57 L60 | S14-F18 PolarHBondContact O-N 3.07Å; I15-F18 WeakPolarHBondContact O-CB 3.43Å; I15-F18 PolarHBondContact O-N 3.16Å; F18-D20 VanDerWaalsContact C-N 3.29Å; F18-D20 PolarHBondContact O-N 2.91Å; F18-R28 PolarHBondContact O-NE 3.46Å; F18-R28 PolarHBondContact O-NH2 2.85Å; F18-L32 HydrophobicContact CB-CB 4.49Å; F18-L32 HydrophobicContact CD2-CB 3.78Å; F18-L32 HydrophobicContact CD2-CD1 4.02Å; F18-L32 HydrophobicContact CD2-CD2 4.35Å; F18-L32 HydrophobicContact CD2-CG 4.27Å; F18-L32 HydrophobicContact CE2-CB 4.38Å; F18-L32 HydrophobicContact CE2-CD1 4Å; F18-L32 HydrophobicContact CE2-CD2 4.14Å; F18-L32 HydrophobicContact CE2-CG 4.41Å; F18-L32 HydrophobicContact CG-CB 4.28Å; F18-L32 HydrophobicContact CG-CD1 4.34Å; F18-L32 HydrophobicContact CZ-CD1 4.28Å; F18-F49 HydrophobicContact CD1-CZ 4.12Å; F18-F49 HydrophobicContact CE1-CE1 4.45Å; F18-F49 AromaticContact CE1-CZ 3.84Å; F18-F49 HydrophobicContact CE1-CZ 3.84Å; F18-F49 HydrophobicContact CZ-CZ 4.46Å; F18-H53 HydrophobicContact CE1-CB 3.87Å; F18-H53 AromaticContact CE1-CG 3.94Å; F18-H53 HydrophobicContact CZ-CB 4.17Å; F18-E56 HydrophobicContact CE1-CB 4.09Å; F18-E56 HydrophobicContact CE2-CB 4.41Å; F18-E56 HydrophobicContact CZ-CB 3.69Å; F18-L57 HydrophobicContact CE2-CD2 3.87Å; F18-L57 HydrophobicContact CE2-CG 4.47Å; F18-L57 HydrophobicContact CZ-CD2 3.74Å; F18-L57 HydrophobicContact CZ-CG 3.94Å; F18-L60 HydrophobicContact CD2-CD2 4Å; F18-L60 HydrophobicContact CE2-CD2 3.91Å |
| 19 | S | 81.8 | Confident | 78.6 | Confident | 37 Ų | 37 | 62.2 Ų | 62.2 | 26% | 0.259 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -74 | -14.6 | 179.8 | -54.9 | 0 | 0 | 0 | 0 | 113.8 | I15 V21 | I15-S19 PolarHBondContact O-N 3.2Å; I15-S19 PolarHBondContact O-OG 3.37Å; S19-V21 PolarHBondContact O-N 3.03Å |
| 20 | D | 84.7 | Confident | 80.2 | Confident | 49 Ų | 49 | 65.5 Ų | 65.5 | 26% | 0.262 | 33% | 0.326 | S | S | . | . | trans | -74 | 94.3 | 176.9 | -171.5 | 5.2 | 0 | 0 | 0 | 111.4 | L16 F18 R22 R23 R28 | L16-D20 WeakPolarHBondContact O-CB 3.28Å; L16-D20 PolarHBondContact O-N 2.95Å; L16-D20 VanDerWaalsContact O-N 3.08Å; F18-D20 VanDerWaalsContact C-N 3.29Å; F18-D20 PolarHBondContact O-N 2.91Å; D20-R22 PolarHBondContact O-N 3.24Å; D20-R22 WeakPolarHBondContact OD1-CB 3.11Å; D20-R22 PolarHBondContact OD1-N 3.16Å; D20-R22 IonicContact OD1-NE 3.52Å; D20-R22 PolarHBondContact OD1-NE 3.35Å; D20-R22 IonicContact OD1-NH2 2.67Å; D20-R23 HydrophobicContact CB-CG 4.36Å; D20-R23 WeakPolarHBondContact O-CB 3.31Å; D20-R23 PolarHBondContact O-N 3.43Å; D20-R28 WeakPolarHBondContact O-CD 3.44Å | ||
| 21 | V | 79.4 | Confident | 81.8 | Confident | 67 Ų | 67 | 61.1 Ų | 61.1 | 41% | 0.406 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -23.2 | 178.8 | -179.6 | 0 | 0 | 0 | 0 | 113.1 | S19 R23 | S19-V21 PolarHBondContact O-N 3.03Å; V21-R23 VanDerWaalsContact C-N 3.28Å; V21-R23 PolarHBondContact O-N 3.04Å |
| 22 | R | 79.7 | Confident | 83.5 | Confident | 221 Ų | 221 | 60.6 Ų | 60.6 | 83% | 0.834 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -10.8 | -179.9 | -61.5 | 175.7 | -64.4 | -176.3 | 0.8 | 113.6 | D20 | D20-R22 PolarHBondContact O-N 3.24Å; D20-R22 WeakPolarHBondContact OD1-CB 3.11Å; D20-R22 PolarHBondContact OD1-N 3.16Å; D20-R22 IonicContact OD1-NE 3.52Å; D20-R22 PolarHBondContact OD1-NE 3.35Å; D20-R22 IonicContact OD1-NH2 2.67Å |
| 23 | R | 86.1 | Confident | 84.6 | Confident | 81 Ų | 81 | 58.8 Ų | 58.8 | 31% | 0.306 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -80.6 | 150.3 | 176.3 | -82.6 | -176.9 | 160.6 | -134.1 | 0.1 | 111.3 | R17 D20 V21 S27 R28 H31 | R17-R23 VanDerWaalsContact CG-CZ 3.49Å; R17-R23 WeakPolarHBondContact O-CD 3.4Å; D20-R23 HydrophobicContact CB-CG 4.36Å; D20-R23 WeakPolarHBondContact O-CB 3.31Å; D20-R23 PolarHBondContact O-N 3.43Å; V21-R23 VanDerWaalsContact C-N 3.28Å; V21-R23 PolarHBondContact O-N 3.04Å; R23-S27 PolarHBondContact NH1-OG 3.16Å; R23-R28 HydrophobicContact CB-CG 3.74Å; R23-R28 WeakPolarHBondContact O-CD 3.21Å; R23-H31 PolarHBondContact NH1-CD2 3.42Å; R23-H31 VanDerWaalsContact NH1-CD2 3.26Å; R23-H31 PolarHBondContact NH1-NE2 3.32Å |
| 24 | E | 84.8 | Confident | 85.1 | Confident | 129 Ų | 129 | 61.6 Ų | 61.6 | 60% | 0.603 | 29% | 0.29 | S | S | * | . | trans | -50.4 | 130.8 | 170.3 | -73.4 | -66.3 | 166 | 0 | 0 | 111.1 | N26 S27 R28 | E24-N26 VanDerWaalsContact C-N 3.3Å; E24-N26 PolarHBondContact O-N 3.24Å; E24-S27 WeakPolarHBondContact O-CA 3.34Å; E24-S27 WeakPolarHBondContact O-CB 2.98Å; E24-S27 PolarHBondContact O-N 3.05Å; E24-R28 PolarHBondContact O-N 3.33Å; E24-R28 VanDerWaalsContact O-N 3.08Å | ||
| 25 | P | 87 | Confident | 85.2 | Confident | 11 Ų | 11 | 61.9 Ų | 61.9 | 7% | 0.071 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -53.5 | -43.1 | -176.5 | -29.8 | 37.8 | 0 | 0 | 0 | 113.2 | S27 R28 Y29 L60 D63 L64 | P25-S27 VanDerWaalsContact C-N 3.26Å; P25-S27 PolarHBondContact O-N 2.89Å; P25-R28 WeakPolarHBondContact O-CB 3.46Å; P25-R28 PolarHBondContact O-N 3.36Å; P25-R28 VanDerWaalsContact O-N 3.14Å; P25-Y29 WeakPolarHBondContact O-CB 3.21Å; P25-Y29 PolarHBondContact O-N 2.86Å; P25-L60 HydrophobicContact CB-CD1 4.06Å; P25-L60 WeakPolarHBondContact O-CD1 3.47Å; P25-D63 HydrophobicContact CB-CB 4.01Å; P25-D63 HydrophobicContact CG-CB 3.67Å; P25-L64 HydrophobicContact CB-CD2 3.66Å; P25-L64 HydrophobicContact CB-CG 3.9Å |
| 26 | N | 85.8 | Confident | 85.4 | Confident | 45 Ų | 45 | 60.1 Ų | 60.1 | 24% | 0.241 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.3 | -35 | 175 | -82.5 | -47.7 | 0 | 0 | 0 | 113.5 | E24 K30 E83 | E24-N26 VanDerWaalsContact C-N 3.3Å; E24-N26 PolarHBondContact O-N 3.24Å; N26-K30 WeakPolarHBondContact O-CG 3.22Å; N26-K30 PolarHBondContact O-N 3.08Å; N26-K30 VanDerWaalsContact O-N 3.13Å; N26-E83 PolarHBondContact ND2-OE1 3.21Å |
| 27 | S | 87.2 | Confident | 85.2 | Confident | 36 Ų | 36 | 58.5 Ų | 58.5 | 25% | 0.252 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -72.8 | -43 | 175.9 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | R23 E24 P25 Y29 K30 H31 | R23-S27 PolarHBondContact NH1-OG 3.16Å; E24-S27 WeakPolarHBondContact O-CA 3.34Å; E24-S27 WeakPolarHBondContact O-CB 2.98Å; E24-S27 PolarHBondContact O-N 3.05Å; P25-S27 VanDerWaalsContact C-N 3.26Å; P25-S27 PolarHBondContact O-N 2.89Å; S27-Y29 VanDerWaalsContact C-N 3.29Å; S27-Y29 PolarHBondContact O-N 3.36Å; S27-K30 PolarHBondContact O-N 3.23Å; S27-H31 PolarHBondContact O-CD2 3.37Å; S27-H31 VanDerWaalsContact O-CD2 3.24Å; S27-H31 PolarHBondContact O-N 3.46Å; S27-H31 VanDerWaalsContact O-N 3.08Å |
| 28 | R | 92.1 | Very high | 85 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.6 | -44.2 | 175.3 | -67 | 174.8 | 63.9 | -156.7 | -5.7 | 110.6 | F18 D20 R23 E24 P25 H31 L32 E56 L60 D63 | F18-R28 PolarHBondContact O-NE 3.46Å; F18-R28 PolarHBondContact O-NH2 2.85Å; D20-R28 WeakPolarHBondContact O-CD 3.44Å; R23-R28 HydrophobicContact CB-CG 3.74Å; R23-R28 WeakPolarHBondContact O-CD 3.21Å; E24-R28 PolarHBondContact O-N 3.33Å; E24-R28 VanDerWaalsContact O-N 3.08Å; P25-R28 WeakPolarHBondContact O-CB 3.46Å; P25-R28 PolarHBondContact O-N 3.36Å; P25-R28 VanDerWaalsContact O-N 3.14Å; R28-H31 PolarHBondContact O-N 3.43Å; R28-L32 WeakPolarHBondContact O-CB 3.34Å; R28-L32 PolarHBondContact O-N 3.16Å; R28-E56 PolarHBondContact NH2-O 3.24Å; R28-L60 HydrophobicContact CB-CD1 3.64Å; R28-L60 HydrophobicContact CB-CD2 4.22Å; R28-D63 IonicContact NH1-OD2 3.54Å; R28-D63 PolarHBondContact NH1-OD2 3.02Å |
| 29 | Y | 90.9 | Very high | 84.4 | Confident | 27 Ų | 27 | 62 Ų | 62 | 11% | 0.106 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 175.4 | -179 | -106 | 0 | 0 | 0 | 113.3 | P25 S27 H31 L32 R33 L64 S86 W89 L90 | P25-Y29 WeakPolarHBondContact O-CB 3.21Å; P25-Y29 PolarHBondContact O-N 2.86Å; S27-Y29 VanDerWaalsContact C-N 3.29Å; S27-Y29 PolarHBondContact O-N 3.36Å; Y29-H31 VanDerWaalsContact C-N 3.31Å; Y29-H31 PolarHBondContact O-N 3.47Å; Y29-L32 WeakPolarHBondContact O-CB 3.3Å; Y29-L32 PolarHBondContact O-N 2.99Å; Y29-R33 WeakPolarHBondContact O-CB 3.3Å; Y29-R33 PolarHBondContact O-N 3.22Å; Y29-R33 PolarHBondContact OH-NH1 2.87Å; Y29-R33 VanDerWaalsContact OH-NH1 3.07Å; Y29-L64 HydrophobicContact CD2-CD1 4.19Å; Y29-L64 HydrophobicContact CG-CD1 4.33Å; Y29-S86 WeakPolarHBondContact CE1-OG 3.44Å; Y29-W89 AromaticContact CE2-CE3 3.69Å; Y29-W89 HydrophobicContact CE2-CE3 3.69Å; Y29-W89 HydrophobicContact CE2-CZ3 4.02Å; Y29-L90 HydrophobicContact CD2-CD1 3.62Å; Y29-L90 HydrophobicContact CD2-CG 4.29Å; Y29-L90 HydrophobicContact CE2-CD1 3.99Å; Y29-L90 HydrophobicContact CE2-CG 4.25Å |
| 30 | K | 87.8 | Confident | 84 | Confident | 141 Ų | 141 | 61.1 Ų | 61.1 | 61% | 0.613 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -60.5 | -39.9 | 176.9 | -75.4 | 176.5 | -177.6 | 179.2 | 0 | 112.4 | N26 S27 L34 | N26-K30 WeakPolarHBondContact O-CG 3.22Å; N26-K30 PolarHBondContact O-N 3.08Å; N26-K30 VanDerWaalsContact O-N 3.13Å; S27-K30 PolarHBondContact O-N 3.23Å; K30-L34 WeakPolarHBondContact O-CB 3.37Å; K30-L34 WeakPolarHBondContact O-CG 3.46Å; K30-L34 PolarHBondContact O-N 3.49Å |
| 31 | H | 87.6 | Confident | 83.5 | Confident | 27 Ų | 27 | 67.1 Ų | 67.1 | 13% | 0.125 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.3 | -37.3 | 176.4 | -77.8 | -59.4 | 0 | 0 | 0 | 112.9 | R17 R23 S27 R28 Y29 H35 | R17-H31 HydrophobicContact CB-CB 4.26Å; R17-H31 WeakPolarHBondContact CD-NE2 3.48Å; R17-H31 PolarHBondContact NH1-CE1 3.25Å; R23-H31 PolarHBondContact NH1-CD2 3.42Å; R23-H31 VanDerWaalsContact NH1-CD2 3.26Å; R23-H31 PolarHBondContact NH1-NE2 3.32Å; S27-H31 PolarHBondContact O-CD2 3.37Å; S27-H31 VanDerWaalsContact O-CD2 3.24Å; S27-H31 PolarHBondContact O-N 3.46Å; S27-H31 VanDerWaalsContact O-N 3.08Å; R28-H31 PolarHBondContact O-N 3.43Å; Y29-H31 VanDerWaalsContact C-N 3.31Å; Y29-H31 PolarHBondContact O-N 3.47Å; H31-H35 WeakPolarHBondContact O-CB 3.36Å; H31-H35 PolarHBondContact O-N 2.9Å |
| 32 | L | 89.1 | Confident | 83.3 | Confident | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.9 | -53 | 170.3 | 174.7 | 65.8 | 0 | 0 | 0 | 110.6 | F18 R28 Y29 L34 H35 L36 F49 L57 L60 L90 | F18-L32 HydrophobicContact CB-CB 4.49Å; F18-L32 HydrophobicContact CD2-CB 3.78Å; F18-L32 HydrophobicContact CD2-CD1 4.02Å; F18-L32 HydrophobicContact CD2-CD2 4.35Å; F18-L32 HydrophobicContact CD2-CG 4.27Å; F18-L32 HydrophobicContact CE2-CB 4.38Å; F18-L32 HydrophobicContact CE2-CD1 4Å; F18-L32 HydrophobicContact CE2-CD2 4.14Å; F18-L32 HydrophobicContact CE2-CG 4.41Å; F18-L32 HydrophobicContact CG-CB 4.28Å; F18-L32 HydrophobicContact CG-CD1 4.34Å; F18-L32 HydrophobicContact CZ-CD1 4.28Å; R28-L32 WeakPolarHBondContact O-CB 3.34Å; R28-L32 PolarHBondContact O-N 3.16Å; Y29-L32 WeakPolarHBondContact O-CB 3.3Å; Y29-L32 PolarHBondContact O-N 2.99Å; L32-L34 PolarHBondContact O-N 2.88Å; L32-H35 WeakPolarHBondContact O-CA 3.28Å; L32-H35 WeakPolarHBondContact O-CB 3.45Å; L32-H35 PolarHBondContact O-N 2.83Å; L32-L36 HydrophobicContact CD1-CD1 3.87Å; L32-L36 HydrophobicContact CD1-CD2 4.38Å; L32-L36 HydrophobicContact CD1-CG 3.97Å; L32-L36 HydrophobicContact CG-CD1 3.92Å; L32-L36 HydrophobicContact CG-CG 4.32Å; L32-L36 WeakPolarHBondContact O-CG 3.42Å; L32-L36 PolarHBondContact O-N 2.86Å; L32-F49 HydrophobicContact CD1-CE1 3.43Å; L32-F49 VanDerWaalsContact CD1-CE1 3.43Å; L32-F49 HydrophobicContact CD1-CZ 3.66Å; L32-L57 HydrophobicContact CD1-CD2 3.91Å; L32-L57 HydrophobicContact CD2-CD2 3.62Å; L32-L57 HydrophobicContact CG-CD2 4.44Å; L32-L60 HydrophobicContact CD2-CD2 3.97Å; L32-L90 HydrophobicContact CD2-CD2 3.73Å; L32-L90 HydrophobicContact CD2-CG 4.39Å |
| 33 | R | 87.8 | Confident | 83.3 | Confident | 37 Ų | 37 | 63.7 Ų | 63.7 | 14% | 0.14 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56.3 | -48.8 | 179.8 | -162 | 85.7 | -170.5 | -169.4 | 8.5 | 112 | Y29 H35 L36 D37 W89 | Y29-R33 WeakPolarHBondContact O-CB 3.3Å; Y29-R33 PolarHBondContact O-N 3.22Å; Y29-R33 PolarHBondContact OH-NH1 2.87Å; Y29-R33 VanDerWaalsContact OH-NH1 3.07Å; R33-H35 PolarHBondContact O-N 3.07Å; R33-L36 PolarHBondContact O-N 3.35Å; R33-D37 WeakPolarHBondContact O-CB 3.4Å; R33-D37 PolarHBondContact O-N 3.32Å; R33-W89 VanDerWaalsContact NH1-CZ2 3.32Å |
| 34 | L | 83.6 | Confident | 83.1 | Confident | 81 Ų | 81 | 61.3 Ų | 61.3 | 42% | 0.424 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58 | -37.3 | 175.8 | -81.4 | 166.5 | 0 | 0 | 0 | 112.6 | K30 L32 Q38 | K30-L34 WeakPolarHBondContact O-CB 3.37Å; K30-L34 WeakPolarHBondContact O-CG 3.46Å; K30-L34 PolarHBondContact O-N 3.49Å; L32-L34 PolarHBondContact O-N 2.88Å; L34-Q38 WeakPolarHBondContact O-CB 3.36Å; L34-Q38 VanDerWaalsContact O-CG 3.24Å; L34-Q38 WeakPolarHBondContact O-CG 3.43Å; L34-Q38 PolarHBondContact O-N 3.09Å |
| 35 | H | 83.1 | Confident | 82.9 | Confident | 16 Ų | 16 | 58.9 Ų | 58.9 | 7% | 0.074 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.4 | -50 | 177.2 | -176.1 | 65.8 | 0 | 0 | 0 | 111.4 | I15 H31 L32 R33 Q38 F39 F49 | I15-H35 VanDerWaalsContact CD1-CE1 3.42Å; I15-H35 WeakPolarHBondContact CD1-CE1 3.25Å; H31-H35 WeakPolarHBondContact O-CB 3.36Å; H31-H35 PolarHBondContact O-N 2.9Å; L32-H35 WeakPolarHBondContact O-CA 3.28Å; L32-H35 WeakPolarHBondContact O-CB 3.45Å; L32-H35 PolarHBondContact O-N 2.83Å; R33-H35 PolarHBondContact O-N 3.07Å; H35-Q38 PolarHBondContact O-N 3.02Å; H35-F39 AromaticContact CE1-CD2 3.53Å; H35-F39 AromaticContact ND1-CD2 3.58Å; H35-F39 PolarHBondContact O-N 3.28Å; H35-F49 AromaticContact CD2-CD2 3.74Å; H35-F49 AromaticContact CD2-CE2 3.38Å; H35-F49 WeakPolarHBondContact CD2-CE2 3.5Å; H35-F49 AromaticContact CD2-CZ 3.98Å; H35-F49 AromaticContact NE2-CD2 3.65Å; H35-F49 AromaticContact NE2-CE2 3.61Å |
| 36 | L | 83.5 | Confident | 82.8 | Confident | 14 Ų | 14 | 60.3 Ų | 60.3 | 7% | 0.073 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.6 | -46.9 | -178.7 | -65.2 | -178.8 | 0 | 0 | 0 | 111.9 | L32 R33 Q38 C40 L46 F49 W89 | L32-L36 HydrophobicContact CD1-CD1 3.87Å; L32-L36 HydrophobicContact CD1-CD2 4.38Å; L32-L36 HydrophobicContact CD1-CG 3.97Å; L32-L36 HydrophobicContact CG-CD1 3.92Å; L32-L36 HydrophobicContact CG-CG 4.32Å; L32-L36 WeakPolarHBondContact O-CG 3.42Å; L32-L36 PolarHBondContact O-N 2.86Å; R33-L36 PolarHBondContact O-N 3.35Å; L36-Q38 PolarHBondContact O-N 3.15Å; L36-C40 HydrophobicContact CD2-CB 4.12Å; L36-C40 WeakPolarHBondContact O-CB 3.5Å; L36-C40 PolarHBondContact O-N 3.08Å; L36-L46 HydrophobicContact CD1-CD1 3.97Å; L36-L46 HydrophobicContact CD2-CD1 3.42Å; L36-L46 VanDerWaalsContact CD2-CD1 3.42Å; L36-L46 HydrophobicContact CG-CD1 4.16Å; L36-F49 HydrophobicContact CD2-CD1 3.65Å; L36-F49 HydrophobicContact CD2-CE1 3.91Å; L36-F49 HydrophobicContact CD2-CG 4.14Å; L36-W89 HydrophobicContact CD1-CH2 3.64Å; L36-W89 HydrophobicContact CD1-CZ3 4.31Å |
| 37 | D | 79.1 | Confident | 82.8 | Confident | 102 Ų | 102 | 58.5 Ų | 58.5 | 55% | 0.545 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.1 | -24.3 | 179.9 | -69.7 | -20.3 | 0 | 0 | 0 | 112.7 | R33 | R33-D37 WeakPolarHBondContact O-CB 3.4Å; R33-D37 PolarHBondContact O-N 3.32Å |
| 38 | Q | 79.4 | Confident | 82.7 | Confident | 100 Ų | 100 | 61.6 Ų | 61.6 | 47% | 0.467 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -96.4 | -35.7 | -177.7 | -69.6 | -176.1 | 13.7 | 0 | 0 | 114.3 | L11 L34 H35 L36 | L11-Q38 HydrophobicContact CD1-CB 4.47Å; L34-Q38 WeakPolarHBondContact O-CB 3.36Å; L34-Q38 VanDerWaalsContact O-CG 3.24Å; L34-Q38 WeakPolarHBondContact O-CG 3.43Å; L34-Q38 PolarHBondContact O-N 3.09Å; H35-Q38 PolarHBondContact O-N 3.02Å; L36-Q38 PolarHBondContact O-N 3.15Å |
| 39 | F | 71.1 | Confident | 82.5 | Confident | 79 Ų | 79 | 62.3 Ų | 62.3 | 35% | 0.346 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -117.2 | -18.9 | -173.2 | -79 | -72.7 | 0 | 0 | 0 | 116.4 | L11 H35 | L11-F39 HydrophobicContact CB-CE2 3.54Å; L11-F39 HydrophobicContact CB-CZ 4.16Å; L11-F39 HydrophobicContact CD1-CD2 4.05Å; L11-F39 HydrophobicContact CD1-CE2 3.69Å; L11-F39 HydrophobicContact CD2-CD2 3.93Å; L11-F39 HydrophobicContact CD2-CE2 2.98Å; L11-F39 HydrophobicContact CD2-CZ 3.39Å; L11-F39 HydrophobicContact CG-CD2 4.36Å; L11-F39 HydrophobicContact CG-CE2 3.51Å; L11-F39 HydrophobicContact CG-CZ 4.26Å; H35-F39 AromaticContact CE1-CD2 3.53Å; H35-F39 AromaticContact ND1-CD2 3.58Å; H35-F39 PolarHBondContact O-N 3.28Å |
| 40 | C | 74.3 | Confident | 82.4 | Confident | 20 Ų | 20 | 61.2 Ų | 61.2 | 14% | 0.135 | 29% | 0.294 | C | S | . | . | trans | -105.5 | 59.4 | -179.5 | -60.4 | 0 | 0 | 0 | 0 | 108.8 | L36 E45 L46 | L36-C40 HydrophobicContact CD2-CB 4.12Å; L36-C40 WeakPolarHBondContact O-CB 3.5Å; L36-C40 PolarHBondContact O-N 3.08Å; C40-E45 HydrophobicContact CB-CB 4.32Å; C40-L46 HydrophobicContact CB-CB 3.99Å; C40-L46 HydrophobicContact CB-CD1 4.12Å | ||
| 41 | K | 73.7 | Confident | 82.4 | Confident | 175 Ų | 175 | 58.8 Ų | 58.8 | 76% | 0.761 | 29% | 0.285 | S | S | * | . | trans | -76.3 | -33 | 179.7 | -71.7 | -170 | 179.1 | -173.2 | 0 | 110.9 | E45 | K41-E45 PolarHBondContact N-OE2 2.88Å; K41-E45 VanDerWaalsContact N-OE2 3.09Å | ||
| 42 | E | 76.5 | Confident | 82.5 | Confident | 132 Ų | 132 | 64.1 Ų | 64.1 | 62% | 0.617 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -92.5 | 137.4 | 172.9 | -61.9 | -176.5 | -176.7 | 0 | 0 | 109.6 | E44 E45 L46 | E42-E44 PolarHBondContact O-N 2.99Å; E42-E44 VanDerWaalsContact O-N 3.08Å; E42-E45 HydrophobicContact CB-CG 4.16Å; E42-E45 PolarHBondContact N-OE2 3.49Å; E42-E45 VanDerWaalsContact N-OE2 3.11Å; E42-E45 WeakPolarHBondContact O-CB 3.41Å; E42-E45 PolarHBondContact O-N 3.5Å; E42-L46 PolarHBondContact O-N 3.43Å |
| 43 | T | 78 | Confident | 82.5 | Confident | 84 Ų | 84 | 65.5 Ų | 65.5 | 52% | 0.515 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -55.5 | -28.1 | -179.3 | 25.9 | 0 | 0 | 0 | 0 | 113.7 | K47 L242 | T43-K47 PolarHBondContact O-N 3.22Å; T43-K47 VanDerWaalsContact O-N 3.13Å; T43-L242 HydrophobicContact CG2-CD1 4.05Å |
| 44 | E | 82.1 | Confident | 82.6 | Confident | 31 Ų | 31 | 65.5 Ų | 65.5 | 15% | 0.145 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -72.2 | -34.5 | 176.6 | -65.4 | -59.5 | 146.6 | 0 | 0 | 113.3 | E42 L46 K47 Q48 K245 R248 | E42-E44 PolarHBondContact O-N 2.99Å; E42-E44 VanDerWaalsContact O-N 3.08Å; E44-L46 VanDerWaalsContact C-N 3.29Å; E44-K47 PolarHBondContact O-N 3.02Å; E44-Q48 WeakPolarHBondContact O-CG 3.4Å; E44-Q48 PolarHBondContact O-N 3.25Å; E44-K245 WeakPolarHBondContact OE2-CE 3.36Å; E44-R248 IonicContact OE1-CZ 2.97Å; E44-R248 IonicContact OE1-NH1 3.47Å; E44-R248 PolarHBondContact OE1-NH1 3.03Å; E44-R248 IonicContact OE1-NH2 2.72Å; E44-R248 PolarHBondContact OE1-NH2 2.87Å; E44-R248 IonicContact OE2-NH2 3.09Å |
| 45 | E | 82 | Confident | 82.8 | Confident | 77 Ų | 77 | 66 Ų | 66 | 36% | 0.36 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.6 | -38.5 | 176.2 | -62.8 | 173.8 | 142.4 | 0 | 0 | 110 | C40 K41 E42 F49 | C40-E45 HydrophobicContact CB-CB 4.32Å; K41-E45 PolarHBondContact N-OE2 2.88Å; K41-E45 VanDerWaalsContact N-OE2 3.09Å; E42-E45 HydrophobicContact CB-CG 4.16Å; E42-E45 PolarHBondContact N-OE2 3.49Å; E42-E45 VanDerWaalsContact N-OE2 3.11Å; E42-E45 WeakPolarHBondContact O-CB 3.41Å; E42-E45 PolarHBondContact O-N 3.5Å; E45-F49 WeakPolarHBondContact O-CB 3.49Å; E45-F49 PolarHBondContact O-N 3.38Å |
| 46 | L | 84.4 | Confident | 83.2 | Confident | 42 Ų | 42 | 67.1 Ų | 67.1 | 22% | 0.22 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 175 | -175.3 | 65.3 | 0 | 0 | 0 | 111.8 | L36 C40 E42 E44 F49 A50 | L36-L46 HydrophobicContact CD1-CD1 3.97Å; L36-L46 HydrophobicContact CD2-CD1 3.42Å; L36-L46 VanDerWaalsContact CD2-CD1 3.42Å; L36-L46 HydrophobicContact CG-CD1 4.16Å; C40-L46 HydrophobicContact CB-CB 3.99Å; C40-L46 HydrophobicContact CB-CD1 4.12Å; E42-L46 PolarHBondContact O-N 3.43Å; E44-L46 VanDerWaalsContact C-N 3.29Å; L46-F49 PolarHBondContact O-N 3.34Å; L46-A50 WeakPolarHBondContact O-CB 3.43Å; L46-A50 PolarHBondContact O-N 3.45Å |
| 47 | K | 85.8 | Confident | 83.6 | Confident | 6 Ų | 6 | 67 Ų | 67 | 3% | 0.026 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.9 | -49.6 | 176.5 | 175.2 | 165.1 | -179 | 156.2 | 0 | 111.7 | T43 E44 F49 A50 E51 E100 L242 W243 | T43-K47 PolarHBondContact O-N 3.22Å; T43-K47 VanDerWaalsContact O-N 3.13Å; E44-K47 PolarHBondContact O-N 3.02Å; K47-F49 VanDerWaalsContact C-N 3.3Å; K47-F49 PolarHBondContact O-N 3.17Å; K47-A50 PolarHBondContact O-N 3.13Å; K47-A50 VanDerWaalsContact O-N 3.14Å; K47-E51 WeakPolarHBondContact CE-OE1 3.39Å; K47-E51 HydrophobicContact CG-CG 4.43Å; K47-E51 IonicContact NZ-OE1 3.86Å; K47-E51 WeakPolarHBondContact O-CG 3.33Å; K47-E51 PolarHBondContact O-N 2.79Å; K47-E100 IonicContact NZ-OE1 2.7Å; K47-E100 PolarHBondContact NZ-OE1 3.45Å; K47-E100 IonicContact NZ-OE2 3.62Å; K47-E100 PolarHBondContact NZ-OE2 2.95Å; K47-L242 HydrophobicContact CD-CB 4.36Å; K47-L242 WeakPolarHBondContact CD-O 3.19Å; K47-L242 PolarHBondContact NZ-O 3.48Å; K47-W243 VanDerWaalsContact NZ-C 3.32Å |
| 48 | Q | 85.3 | Confident | 84.2 | Confident | 102 Ų | 102 | 62.9 Ų | 62.9 | 48% | 0.477 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.5 | -40.3 | 178.3 | -72.7 | 177.5 | 9.7 | 0 | 0 | 112.2 | E44 E51 Q52 | E44-Q48 WeakPolarHBondContact O-CG 3.4Å; E44-Q48 PolarHBondContact O-N 3.25Å; Q48-E51 PolarHBondContact O-N 3.14Å; Q48-Q52 VanDerWaalsContact O-CG 3.29Å; Q48-Q52 WeakPolarHBondContact O-CG 3.26Å; Q48-Q52 PolarHBondContact O-N 2.96Å |
| 49 | F | 88.4 | Confident | 84.7 | Confident | 14 Ų | 14 | 61.8 Ų | 61.8 | 6% | 0.061 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 174.8 | 176.3 | -88.6 | 0 | 0 | 0 | 111.4 | F18 L32 H35 L36 E45 L46 K47 Q52 H53 L57 | F18-F49 HydrophobicContact CD1-CZ 4.12Å; F18-F49 HydrophobicContact CE1-CE1 4.45Å; F18-F49 AromaticContact CE1-CZ 3.84Å; F18-F49 HydrophobicContact CE1-CZ 3.84Å; F18-F49 HydrophobicContact CZ-CZ 4.46Å; L32-F49 HydrophobicContact CD1-CE1 3.43Å; L32-F49 VanDerWaalsContact CD1-CE1 3.43Å; L32-F49 HydrophobicContact CD1-CZ 3.66Å; H35-F49 AromaticContact CD2-CD2 3.74Å; H35-F49 AromaticContact CD2-CE2 3.38Å; H35-F49 WeakPolarHBondContact CD2-CE2 3.5Å; H35-F49 AromaticContact CD2-CZ 3.98Å; H35-F49 AromaticContact NE2-CD2 3.65Å; H35-F49 AromaticContact NE2-CE2 3.61Å; L36-F49 HydrophobicContact CD2-CD1 3.65Å; L36-F49 HydrophobicContact CD2-CE1 3.91Å; L36-F49 HydrophobicContact CD2-CG 4.14Å; E45-F49 WeakPolarHBondContact O-CB 3.49Å; E45-F49 PolarHBondContact O-N 3.38Å; L46-F49 PolarHBondContact O-N 3.34Å; K47-F49 VanDerWaalsContact C-N 3.3Å; K47-F49 PolarHBondContact O-N 3.17Å; F49-Q52 PolarHBondContact O-N 3.5Å; F49-H53 AromaticContact CD2-CD2 3.73Å; F49-H53 AromaticContact CE2-CD2 3.42Å; F49-H53 VanDerWaalsContact CE2-CD2 3.42Å; F49-H53 WeakPolarHBondContact CE2-CD2 3.43Å; F49-H53 AromaticContact CE2-NE2 3.94Å; F49-H53 AromaticContact CZ-CD2 3.76Å; F49-H53 PolarHBondContact O-N 3.39Å; F49-H53 VanDerWaalsContact O-N 3.1Å; F49-L57 HydrophobicContact CE1-CD2 4.4Å |
| 50 | A | 88.4 | Confident | 85.7 | Confident | 5 Ų | 5 | 58 Ų | 58 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | L46 K47 Q52 H53 M54 L57 N97 L98 | L46-A50 WeakPolarHBondContact O-CB 3.43Å; L46-A50 PolarHBondContact O-N 3.45Å; K47-A50 PolarHBondContact O-N 3.13Å; K47-A50 VanDerWaalsContact O-N 3.14Å; A50-Q52 VanDerWaalsContact C-N 3.35Å; A50-Q52 PolarHBondContact O-N 3.47Å; A50-H53 CarbonylContact O-C 3.53Å; A50-H53 PolarHBondContact O-N 2.86Å; A50-M54 VanDerWaalsContact O-CA 3.31Å; A50-M54 WeakPolarHBondContact O-CA 3.29Å; A50-M54 PolarHBondContact O-N 2.99Å; A50-L57 HydrophobicContact CB-CD1 3.98Å; A50-N97 HydrophobicContact CB-CB 3.77Å; A50-L98 HydrophobicContact CB-CD1 4.5Å; A50-L98 HydrophobicContact CB-CD2 4.12Å; A50-L98 HydrophobicContact CB-CG 4.13Å |
| 51 | E | 88.2 | Confident | 86.6 | Confident | 89 Ų | 89 | 57 Ų | 57 | 42% | 0.416 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 176.2 | -72.4 | 173.1 | 167.9 | 0 | 0 | 111.8 | K47 Q48 H53 L98 | K47-E51 WeakPolarHBondContact CE-OE1 3.39Å; K47-E51 HydrophobicContact CG-CG 4.43Å; K47-E51 IonicContact NZ-OE1 3.86Å; K47-E51 WeakPolarHBondContact O-CG 3.33Å; K47-E51 PolarHBondContact O-N 2.79Å; Q48-E51 PolarHBondContact O-N 3.14Å; E51-H53 VanDerWaalsContact C-N 3.34Å; E51-H53 PolarHBondContact O-N 3.37Å; E51-L98 HydrophobicContact CB-CD2 4.4Å; E51-L98 HydrophobicContact CG-CD2 3.91Å |
| 52 | Q | 88.5 | Confident | 87.4 | Confident | 140 Ų | 140 | 51.5 Ų | 51.5 | 65% | 0.654 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -70.8 | -27.7 | 179.4 | -72.8 | 175.3 | 15.2 | 0 | 0 | 113.7 | Q48 F49 A50 | Q48-Q52 VanDerWaalsContact O-CG 3.29Å; Q48-Q52 WeakPolarHBondContact O-CG 3.26Å; Q48-Q52 PolarHBondContact O-N 2.96Å; F49-Q52 PolarHBondContact O-N 3.5Å; A50-Q52 VanDerWaalsContact C-N 3.35Å; A50-Q52 PolarHBondContact O-N 3.47Å |
| 53 | H | 89.6 | Confident | 88 | Confident | 30 Ų | 30 | 47.3 Ų | 47.3 | 14% | 0.139 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123 | 27.7 | -173.3 | -65.9 | -65.1 | 0 | 0 | 0 | 113.4 | F18 F49 A50 E51 T55 E56 L57 | F18-H53 HydrophobicContact CE1-CB 3.87Å; F18-H53 AromaticContact CE1-CG 3.94Å; F18-H53 HydrophobicContact CZ-CB 4.17Å; F49-H53 AromaticContact CD2-CD2 3.73Å; F49-H53 AromaticContact CE2-CD2 3.42Å; F49-H53 VanDerWaalsContact CE2-CD2 3.42Å; F49-H53 WeakPolarHBondContact CE2-CD2 3.43Å; F49-H53 AromaticContact CE2-NE2 3.94Å; F49-H53 AromaticContact CZ-CD2 3.76Å; F49-H53 PolarHBondContact O-N 3.39Å; F49-H53 VanDerWaalsContact O-N 3.1Å; A50-H53 CarbonylContact O-C 3.53Å; A50-H53 PolarHBondContact O-N 2.86Å; E51-H53 VanDerWaalsContact C-N 3.34Å; E51-H53 PolarHBondContact O-N 3.37Å; H53-T55 VanDerWaalsContact C-N 3.26Å; H53-T55 PolarHBondContact O-N 2.99Å; H53-E56 WeakPolarHBondContact CA-OE2 3.46Å; H53-E56 IonicContact ND1-OE1 3.88Å; H53-E56 PolarHBondContact ND1-OE1 3.32Å; H53-E56 VanDerWaalsContact ND1-OE1 3.09Å; H53-E56 PolarHBondContact O-N 2.89Å; H53-L57 HydrophobicContact CB-CG 4.48Å; H53-L57 WeakPolarHBondContact O-CB 3.47Å; H53-L57 VanDerWaalsContact O-CG 3.29Å; H53-L57 WeakPolarHBondContact O-CG 3.39Å; H53-L57 PolarHBondContact O-N 2.96Å |
| 54 | M | 89.6 | Confident | 88.6 | Confident | 37 Ų | 37 | 43.3 Ų | 43.3 | 18% | 0.182 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56 | -40.2 | -174.4 | 62.9 | -176.6 | -72.4 | 0 | 0 | 112.6 | A50 F58 L98 E101 W106 | A50-M54 VanDerWaalsContact O-CA 3.31Å; A50-M54 WeakPolarHBondContact O-CA 3.29Å; A50-M54 PolarHBondContact O-N 2.99Å; M54-F58 WeakPolarHBondContact O-CB 3.48Å; M54-F58 PolarHBondContact O-N 3.32Å; M54-L98 HydrophobicContact CB-CD1 3.86Å; M54-L98 HydrophobicContact CB-CD2 4.4Å; M54-E101 HydrophobicContact CE-CB 4.19Å; M54-E101 HydrophobicContact CE-CG 3.77Å; M54-E101 HydrophobicContact SD-CG 4.32Å; M54-W106 HydrophobicContact CB-CH2 3.91Å; M54-W106 HydrophobicContact CB-CZ2 3.97Å; M54-W106 HydrophobicContact CE-CD2 3.71Å; M54-W106 HydrophobicContact CE-CE3 4.36Å; M54-W106 HydrophobicContact CE-CG 4.05Å; M54-W106 HydrophobicContact CE-CH2 4.23Å; M54-W106 HydrophobicContact CE-CZ2 3.56Å; M54-W106 VanDerWaalsContact CE-NE1 3.31Å; M54-W106 HydrophobicContact CG-CZ2 4.28Å; M54-W106 WeakPolarHBondContact O-CH2 3.46Å; M54-W106 WeakPolarHBondContact O-CZ2 3.45Å |
| 55 | T | 88.1 | Confident | 88.9 | Confident | 91 Ų | 91 | 42 Ų | 42 | 56% | 0.558 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -69 | -43 | -179.2 | 36.5 | 0 | 0 | 0 | 0 | 112.5 | H53 F58 Q59 | H53-T55 VanDerWaalsContact C-N 3.26Å; H53-T55 PolarHBondContact O-N 2.99Å; T55-F58 PolarHBondContact O-N 3.46Å; T55-Q59 WeakPolarHBondContact O-CB 3.42Å; T55-Q59 PolarHBondContact O-N 3.47Å |
| 56 | E | 90.3 | Very high | 89 | Confident | 40 Ų | 40 | 42.2 Ų | 42.2 | 19% | 0.187 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -72.5 | -36.5 | -178 | -59.4 | 94.6 | 123.7 | 0 | 0 | 111.4 | F18 R28 H53 L60 | F18-E56 HydrophobicContact CE1-CB 4.09Å; F18-E56 HydrophobicContact CE2-CB 4.41Å; F18-E56 HydrophobicContact CZ-CB 3.69Å; R28-E56 PolarHBondContact NH2-O 3.24Å; H53-E56 WeakPolarHBondContact CA-OE2 3.46Å; H53-E56 IonicContact ND1-OE1 3.88Å; H53-E56 PolarHBondContact ND1-OE1 3.32Å; H53-E56 VanDerWaalsContact ND1-OE1 3.09Å; H53-E56 PolarHBondContact O-N 2.89Å; E56-L60 VanDerWaalsContact O-CB 3.28Å; E56-L60 WeakPolarHBondContact O-CB 3.34Å; E56-L60 PolarHBondContact O-N 3.12Å |
| 57 | L | 92.2 | Very high | 89 | Confident | 11 Ų | 11 | 43.3 Ų | 43.3 | 6% | 0.058 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.2 | -48.2 | 172.5 | -73.5 | 173.8 | 0 | 0 | 0 | 111.1 | F18 L32 F49 A50 H53 Q59 L60 F61 L90 M94 | F18-L57 HydrophobicContact CE2-CD2 3.87Å; F18-L57 HydrophobicContact CE2-CG 4.47Å; F18-L57 HydrophobicContact CZ-CD2 3.74Å; F18-L57 HydrophobicContact CZ-CG 3.94Å; L32-L57 HydrophobicContact CD1-CD2 3.91Å; L32-L57 HydrophobicContact CD2-CD2 3.62Å; L32-L57 HydrophobicContact CG-CD2 4.44Å; F49-L57 HydrophobicContact CE1-CD2 4.4Å; A50-L57 HydrophobicContact CB-CD1 3.98Å; H53-L57 HydrophobicContact CB-CG 4.48Å; H53-L57 WeakPolarHBondContact O-CB 3.47Å; H53-L57 VanDerWaalsContact O-CG 3.29Å; H53-L57 WeakPolarHBondContact O-CG 3.39Å; H53-L57 PolarHBondContact O-N 2.96Å; L57-Q59 PolarHBondContact O-N 3.31Å; L57-L60 PolarHBondContact O-N 2.87Å; L57-F61 WeakPolarHBondContact O-CB 3.31Å; L57-F61 PolarHBondContact O-N 3.12Å; L57-L90 HydrophobicContact CD2-CD2 3.8Å; L57-M94 HydrophobicContact CB-CG 4.31Å; L57-M94 HydrophobicContact CB-SD 4.04Å |
| 58 | F | 91.8 | Very high | 88.8 | Confident | 15 Ų | 15 | 43.2 Ų | 43.2 | 7% | 0.066 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.8 | -41.1 | 179.5 | -173.3 | -99.1 | 0 | 0 | 0 | 112.1 | M54 T55 F61 L62 M94 W106 Q107 A110 I111 | M54-F58 WeakPolarHBondContact O-CB 3.48Å; M54-F58 PolarHBondContact O-N 3.32Å; T55-F58 PolarHBondContact O-N 3.46Å; F58-F61 HydrophobicContact CD2-CD1 4.06Å; F58-F61 AromaticContact CE2-CD1 3.87Å; F58-F61 HydrophobicContact CE2-CD1 3.87Å; F58-F61 HydrophobicContact CE2-CE1 4.04Å; F58-F61 HydrophobicContact CZ-CD1 4.45Å; F58-F61 WeakPolarHBondContact O-CB 3.42Å; F58-F61 PolarHBondContact O-N 3.46Å; F58-L62 WeakPolarHBondContact O-CB 3.05Å; F58-L62 PolarHBondContact O-N 3.49Å; F58-M94 HydrophobicContact CB-SD 4.09Å; F58-M94 HydrophobicContact CD2-CE 4.21Å; F58-M94 HydrophobicContact CD2-SD 4.18Å; F58-W106 HydrophobicContact CB-CH2 3.88Å; F58-W106 HydrophobicContact CB-CZ2 3.96Å; F58-W106 HydrophobicContact CD2-CH2 4.43Å; F58-W106 HydrophobicContact CG-CH2 4.4Å; F58-W106 HydrophobicContact CG-CZ2 4.39Å; F58-Q107 HydrophobicContact CD1-CG 3.76Å; F58-Q107 HydrophobicContact CD2-CB 4.09Å; F58-Q107 HydrophobicContact CD2-CG 3.89Å; F58-Q107 HydrophobicContact CE1-CB 4.07Å; F58-Q107 VanDerWaalsContact CE1-CD 3.49Å; F58-Q107 HydrophobicContact CE1-CG 3.66Å; F58-Q107 VanDerWaalsContact CE1-OE1 3.31Å; F58-Q107 HydrophobicContact CE2-CB 3.58Å; F58-Q107 HydrophobicContact CE2-CG 3.81Å; F58-Q107 HydrophobicContact CG-CG 3.88Å; F58-Q107 HydrophobicContact CZ-CB 3.58Å; F58-Q107 HydrophobicContact CZ-CG 3.7Å; F58-A110 HydrophobicContact CE1-CB 4.34Å; F58-A110 HydrophobicContact CZ-CB 3.64Å; F58-I111 HydrophobicContact CE2-CG1 3.98Å |
| 59 | Q | 90.2 | Very high | 88.2 | Confident | 77 Ų | 77 | 39.9 Ų | 39.9 | 36% | 0.36 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.2 | -44.7 | 175.6 | -172.6 | 173.2 | 9.7 | 0 | 0 | 111.6 | T55 L57 F61 L62 D63 | T55-Q59 WeakPolarHBondContact O-CB 3.42Å; T55-Q59 PolarHBondContact O-N 3.47Å; L57-Q59 PolarHBondContact O-N 3.31Å; Q59-F61 VanDerWaalsContact C-N 3.34Å; Q59-F61 PolarHBondContact O-N 2.7Å; Q59-L62 PolarHBondContact O-N 2.91Å; Q59-D63 WeakPolarHBondContact O-CB 3.44Å; Q59-D63 PolarHBondContact O-N 3.27Å |
| 60 | L | 93 | Very high | 87.4 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.6 | -41.9 | 176.6 | 178.3 | 59.8 | 0 | 0 | 0 | 112.1 | F18 P25 R28 L32 E56 L57 D63 L64 L90 | F18-L60 HydrophobicContact CD2-CD2 4Å; F18-L60 HydrophobicContact CE2-CD2 3.91Å; P25-L60 HydrophobicContact CB-CD1 4.06Å; P25-L60 WeakPolarHBondContact O-CD1 3.47Å; R28-L60 HydrophobicContact CB-CD1 3.64Å; R28-L60 HydrophobicContact CB-CD2 4.22Å; L32-L60 HydrophobicContact CD2-CD2 3.97Å; E56-L60 VanDerWaalsContact O-CB 3.28Å; E56-L60 WeakPolarHBondContact O-CB 3.34Å; E56-L60 PolarHBondContact O-N 3.12Å; L57-L60 PolarHBondContact O-N 2.87Å; L60-D63 PolarHBondContact O-N 3.49Å; L60-L64 HydrophobicContact CD1-CD1 3.98Å; L60-L64 HydrophobicContact CD1-CG 4.16Å; L60-L64 HydrophobicContact CG-CD1 3.95Å; L60-L64 WeakPolarHBondContact O-CB 3.47Å; L60-L64 VanDerWaalsContact O-CG 3.29Å; L60-L64 WeakPolarHBondContact O-CG 3.34Å; L60-L64 PolarHBondContact O-N 3.41Å; L60-L90 HydrophobicContact CD2-CD1 3.95Å; L60-L90 HydrophobicContact CD2-CD2 4.48Å; L60-L90 HydrophobicContact CG-CD1 3.86Å |
| 61 | F | 93.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.3 | -51.6 | 172.9 | 155.8 | -109.2 | 0 | 0 | 0 | 111.3 | L57 F58 Q59 D63 L64 F65 A87 L90 L91 M94 C114 | L57-F61 WeakPolarHBondContact O-CB 3.31Å; L57-F61 PolarHBondContact O-N 3.12Å; F58-F61 HydrophobicContact CD2-CD1 4.06Å; F58-F61 AromaticContact CE2-CD1 3.87Å; F58-F61 HydrophobicContact CE2-CD1 3.87Å; F58-F61 HydrophobicContact CE2-CE1 4.04Å; F58-F61 HydrophobicContact CZ-CD1 4.45Å; F58-F61 WeakPolarHBondContact O-CB 3.42Å; F58-F61 PolarHBondContact O-N 3.46Å; Q59-F61 VanDerWaalsContact C-N 3.34Å; Q59-F61 PolarHBondContact O-N 2.7Å; F61-D63 VanDerWaalsContact C-N 3.34Å; F61-D63 PolarHBondContact O-N 2.89Å; F61-L64 PolarHBondContact O-N 3.08Å; F61-F65 HydrophobicContact CE2-CB 4.15Å; F61-F65 HydrophobicContact CE2-CD2 4.09Å; F61-F65 HydrophobicContact CE2-CG 4.35Å; F61-F65 HydrophobicContact CZ-CB 4.48Å; F61-F65 HydrophobicContact CZ-CD2 4.42Å; F61-F65 HydrophobicContact CZ-CG 4.49Å; F61-F65 WeakPolarHBondContact O-CB 3.2Å; F61-F65 PolarHBondContact O-N 2.64Å; F61-A87 HydrophobicContact CD2-CB 4.24Å; F61-A87 VanDerWaalsContact CD2-O 3.25Å; F61-A87 WeakPolarHBondContact CD2-O 3.39Å; F61-A87 HydrophobicContact CE2-CB 4.49Å; F61-L90 HydrophobicContact CB-CB 4.2Å; F61-L91 HydrophobicContact CD2-CB 3.91Å; F61-L91 HydrophobicContact CE1-CD1 4.36Å; F61-L91 HydrophobicContact CE2-CB 3.68Å; F61-L91 HydrophobicContact CE2-CD1 4.44Å; F61-L91 HydrophobicContact CE2-CD2 3.94Å; F61-L91 HydrophobicContact CE2-CG 4.23Å; F61-L91 HydrophobicContact CZ-CB 4.24Å; F61-L91 HydrophobicContact CZ-CD1 4.16Å; F61-L91 HydrophobicContact CZ-CD2 3.84Å; F61-L91 HydrophobicContact CZ-CG 4.31Å; F61-M94 HydrophobicContact CB-CE 3.49Å; F61-M94 VanDerWaalsContact CB-CE 3.49Å; F61-M94 HydrophobicContact CD1-CE 3.81Å; F61-M94 HydrophobicContact CD2-CE 4.29Å; F61-M94 HydrophobicContact CG-CE 3.58Å; F61-C114 HydrophobicContact CZ-CB 4.15Å |
| 62 | L | 89.5 | Confident | 85.5 | Confident | 58 Ų | 58 | 42 Ų | 42 | 30% | 0.304 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.5 | -42 | -177.6 | -172.2 | 64.4 | 0 | 0 | 0 | 111.1 | F58 Q59 F65 L66 | F58-L62 WeakPolarHBondContact O-CB 3.05Å; F58-L62 PolarHBondContact O-N 3.49Å; Q59-L62 PolarHBondContact O-N 2.91Å; L62-F65 PolarHBondContact O-N 3.25Å; L62-L66 HydrophobicContact CD1-CD1 4.08Å; L62-L66 HydrophobicContact CD1-CG 4.2Å; L62-L66 HydrophobicContact CG-CD1 3.83Å; L62-L66 HydrophobicContact CG-CG 4.34Å; L62-L66 VanDerWaalsContact O-CB 3.3Å; L62-L66 WeakPolarHBondContact O-CB 3.2Å; L62-L66 WeakPolarHBondContact O-CG 3.37Å; L62-L66 PolarHBondContact O-N 2.85Å |
| 63 | D | 89.6 | Confident | 84.4 | Confident | 45 Ų | 45 | 39.3 Ų | 39.3 | 24% | 0.241 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.4 | -47 | 176.7 | -66.4 | -25.8 | 0 | 0 | 0 | 111.3 | P25 R28 Q59 L60 F61 Q67 | P25-D63 HydrophobicContact CB-CB 4.01Å; P25-D63 HydrophobicContact CG-CB 3.67Å; R28-D63 IonicContact NH1-OD2 3.54Å; R28-D63 PolarHBondContact NH1-OD2 3.02Å; Q59-D63 WeakPolarHBondContact O-CB 3.44Å; Q59-D63 PolarHBondContact O-N 3.27Å; L60-D63 PolarHBondContact O-N 3.49Å; F61-D63 VanDerWaalsContact C-N 3.34Å; F61-D63 PolarHBondContact O-N 2.89Å; D63-Q67 WeakPolarHBondContact O-CB 3.43Å; D63-Q67 VanDerWaalsContact O-CG 3.3Å; D63-Q67 WeakPolarHBondContact O-CG 3.25Å; D63-Q67 PolarHBondContact O-N 3.14Å |
| 64 | L | 90.7 | Very high | 83.1 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.9 | -40.9 | 178.1 | -71.1 | 165.6 | 0 | 0 | 0 | 112.2 | P25 Y29 L60 F61 Q67 A68 A87 L90 | P25-L64 HydrophobicContact CB-CD2 3.66Å; P25-L64 HydrophobicContact CB-CG 3.9Å; Y29-L64 HydrophobicContact CD2-CD1 4.19Å; Y29-L64 HydrophobicContact CG-CD1 4.33Å; L60-L64 HydrophobicContact CD1-CD1 3.98Å; L60-L64 HydrophobicContact CD1-CG 4.16Å; L60-L64 HydrophobicContact CG-CD1 3.95Å; L60-L64 WeakPolarHBondContact O-CB 3.47Å; L60-L64 VanDerWaalsContact O-CG 3.29Å; L60-L64 WeakPolarHBondContact O-CG 3.34Å; L60-L64 PolarHBondContact O-N 3.41Å; F61-L64 PolarHBondContact O-N 3.08Å; L64-Q67 PolarHBondContact O-N 3.45Å; L64-A68 WeakPolarHBondContact O-CB 3.2Å; L64-A68 PolarHBondContact O-N 3.03Å; L64-A87 HydrophobicContact CB-CB 3.77Å; L64-L90 HydrophobicContact CD1-CD1 3.41Å; L64-L90 VanDerWaalsContact CD1-CD1 3.41Å |
| 65 | F | 87.9 | Confident | 81.3 | Confident | 3 Ų | 3 | 43.2 Ų | 43.2 | 1% | 0.013 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.6 | -43.7 | 179.4 | -168.9 | -90.7 | 0 | 0 | 0 | 111.2 | F61 L62 A68 E69 L84 A87 L88 C114 L118 | F61-F65 HydrophobicContact CE2-CB 4.15Å; F61-F65 HydrophobicContact CE2-CD2 4.09Å; F61-F65 HydrophobicContact CE2-CG 4.35Å; F61-F65 HydrophobicContact CZ-CB 4.48Å; F61-F65 HydrophobicContact CZ-CD2 4.42Å; F61-F65 HydrophobicContact CZ-CG 4.49Å; F61-F65 WeakPolarHBondContact O-CB 3.2Å; F61-F65 PolarHBondContact O-N 2.64Å; L62-F65 PolarHBondContact O-N 3.25Å; F65-A68 PolarHBondContact O-N 3.13Å; F65-E69 PolarHBondContact O-N 3.29Å; F65-L84 HydrophobicContact CD2-CD1 4.14Å; F65-L84 HydrophobicContact CE2-CD1 4.11Å; F65-A87 HydrophobicContact CB-CB 4.05Å; F65-A87 HydrophobicContact CD2-CB 4.35Å; F65-L88 HydrophobicContact CE2-CD2 4.42Å; F65-C114 HydrophobicContact CE1-CB 4.3Å; F65-C114 HydrophobicContact CE2-CB 4.34Å; F65-C114 HydrophobicContact CZ-CB 4.05Å; F65-L118 HydrophobicContact CE2-CD2 4.5Å |
| 66 | L | 84.5 | Confident | 79.3 | Confident | 82 Ų | 82 | 43.9 Ų | 43.9 | 43% | 0.429 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -70.2 | -29.8 | 176.6 | -68.3 | 173.9 | 0 | 0 | 0 | 112.7 | L62 P70 | L62-L66 HydrophobicContact CD1-CD1 4.08Å; L62-L66 HydrophobicContact CD1-CG 4.2Å; L62-L66 HydrophobicContact CG-CD1 3.83Å; L62-L66 HydrophobicContact CG-CG 4.34Å; L62-L66 VanDerWaalsContact O-CB 3.3Å; L62-L66 WeakPolarHBondContact O-CB 3.2Å; L62-L66 WeakPolarHBondContact O-CG 3.37Å; L62-L66 PolarHBondContact O-N 2.85Å; L66-P70 WeakPolarHBondContact O-CD 3.32Å |
| 67 | Q | 84.3 | Confident | 77.4 | Confident | 64 Ų | 64 | 43.3 Ų | 43.3 | 30% | 0.299 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -69.5 | -37.9 | 171.7 | -81.9 | -173.1 | -16.9 | 0 | 0 | 112.3 | D63 L64 P70 | D63-Q67 WeakPolarHBondContact O-CB 3.43Å; D63-Q67 VanDerWaalsContact O-CG 3.3Å; D63-Q67 WeakPolarHBondContact O-CG 3.25Å; D63-Q67 PolarHBondContact O-N 3.14Å; L64-Q67 PolarHBondContact O-N 3.45Å; Q67-P70 WeakPolarHBondContact O-CD 3.31Å |
| 68 | A | 80.7 | Confident | 75.4 | Confident | 4 Ų | 4 | 53.6 Ų | 53.6 | 3% | 0.033 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -73.5 | -29.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | L64 F65 V71 L72 E83 L84 | L64-A68 WeakPolarHBondContact O-CB 3.2Å; L64-A68 PolarHBondContact O-N 3.03Å; F65-A68 PolarHBondContact O-N 3.13Å; A68-V71 WeakPolarHBondContact O-CB 3.33Å; A68-V71 PolarHBondContact O-N 3.08Å; A68-V71 VanDerWaalsContact O-N 3.16Å; A68-L72 WeakPolarHBondContact O-CG 3.37Å; A68-L72 PolarHBondContact O-N 3.24Å; A68-E83 HydrophobicContact CB-CB 4.13Å; A68-L84 HydrophobicContact CB-CB 3.86Å; A68-L84 HydrophobicContact CB-CD1 4.22Å |
| 69 | E | 73.6 | Confident | 73.2 | Confident | 33 Ų | 33 | 59.5 Ų | 59.5 | 15% | 0.154 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.4 | -51.1 | -173.8 | -179.2 | 170.7 | -154.9 | 0 | 0 | 113.5 | F65 V71 L72 Y73 R117 L207 | F65-E69 PolarHBondContact O-N 3.29Å; E69-V71 VanDerWaalsContact C-N 3.29Å; E69-V71 PolarHBondContact O-N 3.1Å; E69-L72 PolarHBondContact O-N 3.26Å; E69-Y73 HydrophobicContact CG-CE2 3.87Å; E69-Y73 WeakPolarHBondContact O-CD2 3.42Å; E69-R117 IonicContact OE1-CZ 3.37Å; E69-R117 IonicContact OE1-NE 3.2Å; E69-R117 IonicContact OE1-NH1 3.85Å; E69-R117 PolarHBondContact OE1-NH1 3.21Å; E69-R117 IonicContact OE1-NH2 3.68Å; E69-R117 IonicContact OE2-CZ 3.95Å; E69-R117 IonicContact OE2-NH1 3.66Å; E69-R117 PolarHBondContact OE2-NH1 3.43Å; E69-L207 HydrophobicContact CG-CD2 4.33Å |
| 70 | P | 71.8 | Confident | 71.6 | Confident | 87 Ų | 87 | 61.6 Ų | 61.6 | 57% | 0.565 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -62.1 | -32.9 | 176.8 | -20.1 | 30.1 | 0 | 0 | 0 | 114 | L66 Q67 L72 Y73 A74 | L66-P70 WeakPolarHBondContact O-CD 3.32Å; Q67-P70 WeakPolarHBondContact O-CD 3.31Å; P70-L72 VanDerWaalsContact C-N 3.28Å; P70-L72 PolarHBondContact O-N 3.35Å; P70-Y73 PolarHBondContact O-N 2.92Å; P70-A74 PolarHBondContact O-N 3.33Å |
| 71 | V | 70.3 | Confident | 70.5 | Confident | 60 Ų | 60 | 64.1 Ų | 64.1 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.7 | -34.6 | -179.1 | -177.9 | 0 | 0 | 0 | 0 | 110.5 | A68 E69 A74 | A68-V71 WeakPolarHBondContact O-CB 3.33Å; A68-V71 PolarHBondContact O-N 3.08Å; A68-V71 VanDerWaalsContact O-N 3.16Å; E69-V71 VanDerWaalsContact C-N 3.29Å; E69-V71 PolarHBondContact O-N 3.1Å; V71-A74 PolarHBondContact O-N 3.45Å |
| 72 | L | 67 | Low | 69.6 | Low | 6 Ų | 6 | 66.6 Ų | 66.6 | 3% | 0.031 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.8 | -38.6 | 177.8 | -67.4 | 163.8 | 0 | 0 | 0 | 111.8 | A68 E69 P70 A74 L81 L84 L207 V209 | A68-L72 WeakPolarHBondContact O-CG 3.37Å; A68-L72 PolarHBondContact O-N 3.24Å; E69-L72 PolarHBondContact O-N 3.26Å; P70-L72 VanDerWaalsContact C-N 3.28Å; P70-L72 PolarHBondContact O-N 3.35Å; L72-A74 VanDerWaalsContact C-N 3.28Å; L72-A74 PolarHBondContact O-N 3.31Å; L72-L81 HydrophobicContact CD2-CD2 3.56Å; L72-L84 HydrophobicContact CD1-CD1 4.27Å; L72-L84 HydrophobicContact CD1-CD2 3.89Å; L72-L84 HydrophobicContact CD2-CD2 4.07Å; L72-L207 HydrophobicContact CB-CD2 4.18Å; L72-L207 HydrophobicContact CD1-CD1 4.07Å; L72-L207 HydrophobicContact CD1-CD2 3.6Å; L72-L207 HydrophobicContact CD1-CG 4.3Å; L72-V209 HydrophobicContact CB-CG2 4.46Å; L72-V209 HydrophobicContact CD2-CG2 4.45Å; L72-V209 VanDerWaalsContact O-CG2 3.22Å; L72-V209 WeakPolarHBondContact O-CG2 3.22Å |
| 73 | Y | 64.9 | Low | 69.1 | Low | 82 Ų | 82 | 66 Ų | 66 | 32% | 0.322 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -72.4 | -17.8 | 177.8 | -67.6 | -84.6 | 0 | 0 | 0 | 113.9 | E69 P70 Q205 A206 L207 P208 | E69-Y73 HydrophobicContact CG-CE2 3.87Å; E69-Y73 WeakPolarHBondContact O-CD2 3.42Å; P70-Y73 PolarHBondContact O-N 2.92Å; Y73-Q205 WeakPolarHBondContact OH-CB 3.21Å; Y73-Q205 PolarHBondContact OH-O 3.04Å; Y73-A206 WeakPolarHBondContact CE1-O 3.34Å; Y73-A206 PolarHBondContact OH-O 3.39Å; Y73-L207 HydrophobicContact CE2-CD2 4.26Å; Y73-P208 HydrophobicContact CD1-CG 3.76Å; Y73-P208 HydrophobicContact CE1-CG 3.6Å |
| 74 | A | 61.7 | Low | 68.9 | Low | 48 Ų | 48 | 64 Ų | 64 | 40% | 0.397 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -84 | 117.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | P70 V71 L72 S76 | P70-A74 PolarHBondContact O-N 3.33Å; V71-A74 PolarHBondContact O-N 3.45Å; L72-A74 VanDerWaalsContact C-N 3.28Å; L72-A74 PolarHBondContact O-N 3.31Å; A74-S76 PolarHBondContact O-N 2.93Å |
| 75 | S | 52 | Low | 68.5 | Low | 101 Ų | 101 | 66 Ų | 66 | 71% | 0.706 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 9.6 | -165.9 | 94.8 | 0 | 0 | 0 | 0 | 117.5 | ||
| 76 | S | 46 | Very low | 68.5 | Low | 105 Ų | 105 | 66.5 Ų | 66.5 | 73% | 0.734 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | 14.5 | -171.4 | 43.6 | 0 | 0 | 0 | 0 | 114.8 | A74 R78 | A74-S76 PolarHBondContact O-N 2.93Å; S76-R78 PolarHBondContact O-N 3.21Å; S76-R78 VanDerWaalsContact O-N 3.14Å |
| 77 | A | 50.4 | Low | 68.7 | Low | 29 Ų | 29 | 62.6 Ų | 62.6 | 24% | 0.24 | 34% | 0.344 | C | S | . | . | trans | -88.9 | 43.8 | -159.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | L79 | A77-L79 PolarHBondContact O-N 3.29Š| ||
| 78 | R | 49.4 | Very low | 69.1 | Low | 227 Ų | 227 | 59.5 Ų | 59.5 | 86% | 0.857 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -73.3 | -4.9 | 162.4 | -98.3 | -172.1 | -179.2 | -178.8 | -1.1 | 113.3 | S76 | S76-R78 PolarHBondContact O-N 3.21Å; S76-R78 VanDerWaalsContact O-N 3.14Å |
| 79 | L | 46.4 | Very low | 69.5 | Low | 138 Ų | 138 | 61.9 Ų | 61.9 | 72% | 0.723 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -122.9 | 111.4 | -175.3 | -65.7 | 164.3 | 0 | 0 | 0 | 109 | A77 | A77-L79 PolarHBondContact O-N 3.29Š|
| 80 | N | 57.4 | Low | 70.4 | Confident | 121 Ų | 121 | 60.4 Ų | 60.4 | 65% | 0.647 | 33% | 0.331 | S | S | * | . | trans | 86.3 | 53.7 | 164.7 | -50.7 | -20.3 | 0 | 0 | 0 | 118.5 | S82 | N80-S82 PolarHBondContact O-N 3.35Š| ||
| 81 | L | 69.6 | Low | 71.4 | Confident | 54 Ų | 54 | 56.3 Ų | 56.3 | 28% | 0.283 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | 4.4 | 157.9 | -77.7 | 165.4 | 0 | 0 | 0 | 113.7 | L72 E83 L84 E85 | L72-L81 HydrophobicContact CD2-CD2 3.56Å; L81-E83 PolarHBondContact O-N 3.2Å; L81-E83 VanDerWaalsContact O-N 3.12Å; L81-L84 HydrophobicContact CD2-CB 4.48Å; L81-L84 HydrophobicContact CD2-CD2 4.07Å; L81-L84 PolarHBondContact O-N 3.05Å; L81-L84 VanDerWaalsContact O-N 3.12Å; L81-E85 WeakPolarHBondContact O-CG 3.43Å; L81-E85 PolarHBondContact O-N 3.41Å |
| 82 | S | 74.6 | Confident | 72.5 | Confident | 52 Ų | 52 | 54.3 Ų | 54.3 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.6 | -30.6 | -174.4 | 54 | 0 | 0 | 0 | 0 | 113.7 | N80 S86 | N80-S82 PolarHBondContact O-N 3.35Å; S82-S86 VanDerWaalsContact O-CB 3.29Å; S82-S86 WeakPolarHBondContact O-CB 3.31Å; S82-S86 PolarHBondContact O-N 2.97Å; S82-S86 PolarHBondContact O-OG 3.39Å |
| 83 | E | 79.2 | Confident | 73.6 | Confident | 46 Ų | 46 | 55 Ų | 55 | 22% | 0.215 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -71.6 | -46 | 178.8 | -70.2 | 167.4 | 173.7 | 0 | 0 | 111.1 | N26 A68 L81 S86 A87 | N26-E83 PolarHBondContact ND2-OE1 3.21Å; A68-E83 HydrophobicContact CB-CB 4.13Å; L81-E83 PolarHBondContact O-N 3.2Å; L81-E83 VanDerWaalsContact O-N 3.12Å; E83-S86 PolarHBondContact O-N 2.8Å; E83-A87 PolarHBondContact O-N 2.88Å |
| 84 | L | 83.8 | Confident | 74.9 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.016 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.7 | -45 | 173.2 | -173.5 | 66.2 | 0 | 0 | 0 | 110.9 | F65 A68 L72 L81 S86 A87 L88 L127 | F65-L84 HydrophobicContact CD2-CD1 4.14Å; F65-L84 HydrophobicContact CE2-CD1 4.11Å; A68-L84 HydrophobicContact CB-CB 3.86Å; A68-L84 HydrophobicContact CB-CD1 4.22Å; L72-L84 HydrophobicContact CD1-CD1 4.27Å; L72-L84 HydrophobicContact CD1-CD2 3.89Å; L72-L84 HydrophobicContact CD2-CD2 4.07Å; L81-L84 HydrophobicContact CD2-CB 4.48Å; L81-L84 HydrophobicContact CD2-CD2 4.07Å; L81-L84 PolarHBondContact O-N 3.05Å; L81-L84 VanDerWaalsContact O-N 3.12Å; L84-S86 VanDerWaalsContact C-N 3.26Å; L84-S86 PolarHBondContact O-N 3.14Å; L84-A87 PolarHBondContact O-N 2.8Å; L84-L88 HydrophobicContact CD1-CD1 4.23Å; L84-L88 HydrophobicContact CD1-CG 4.17Å; L84-L88 HydrophobicContact CD2-CD1 4.27Å; L84-L88 HydrophobicContact CG-CD1 3.8Å; L84-L88 HydrophobicContact CG-CG 4.14Å; L84-L88 WeakPolarHBondContact O-CB 3.49Å; L84-L88 VanDerWaalsContact O-CG 3.24Å; L84-L88 WeakPolarHBondContact O-CG 3.38Å; L84-L88 PolarHBondContact O-N 3.15Å; L84-L127 HydrophobicContact CD2-CD1 4.43Å; L84-L127 HydrophobicContact CD2-CD2 3.57Å |
| 85 | E | 83.6 | Confident | 76.4 | Confident | 41 Ų | 41 | 49.1 Ų | 49.1 | 19% | 0.192 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -54.7 | -44 | 174.1 | -76.1 | 176.6 | -173.7 | 0 | 0 | 111.4 | L81 W89 M761 L765 | L81-E85 WeakPolarHBondContact O-CG 3.43Å; L81-E85 PolarHBondContact O-N 3.41Å; E85-W89 VanDerWaalsContact O-CB 3.26Å; E85-W89 WeakPolarHBondContact O-CB 3.43Å; E85-W89 PolarHBondContact O-N 3.29Å; E85-M761 HydrophobicContact CB-CE 4.5Å; E85-M761 VanDerWaalsContact O-CE 3.3Å; E85-M761 WeakPolarHBondContact O-CE 3.36Å; E85-L765 HydrophobicContact CG-CD1 3.34Å |
| 86 | S | 87.4 | Confident | 78.3 | Confident | 13 Ų | 13 | 45.9 Ų | 45.9 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.8 | -41.5 | 178.8 | -59.1 | 0 | 0 | 0 | 0 | 111.8 | Y29 S82 E83 L84 L90 | Y29-S86 WeakPolarHBondContact CE1-OG 3.44Å; S82-S86 VanDerWaalsContact O-CB 3.29Å; S82-S86 WeakPolarHBondContact O-CB 3.31Å; S82-S86 PolarHBondContact O-N 2.97Å; S82-S86 PolarHBondContact O-OG 3.39Å; E83-S86 PolarHBondContact O-N 2.8Å; L84-S86 VanDerWaalsContact C-N 3.26Å; L84-S86 PolarHBondContact O-N 3.14Å; S86-L90 WeakPolarHBondContact O-CB 3.4Å; S86-L90 PolarHBondContact O-N 3.34Å |
| 87 | A | 89.3 | Confident | 80.5 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64 | -48.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F61 L64 F65 E83 L84 W89 L90 L91 | F61-A87 HydrophobicContact CD2-CB 4.24Å; F61-A87 VanDerWaalsContact CD2-O 3.25Å; F61-A87 WeakPolarHBondContact CD2-O 3.39Å; F61-A87 HydrophobicContact CE2-CB 4.49Å; L64-A87 HydrophobicContact CB-CB 3.77Å; F65-A87 HydrophobicContact CB-CB 4.05Å; F65-A87 HydrophobicContact CD2-CB 4.35Å; E83-A87 PolarHBondContact O-N 2.88Å; L84-A87 PolarHBondContact O-N 2.8Å; A87-W89 VanDerWaalsContact C-N 3.33Å; A87-W89 PolarHBondContact O-N 2.84Å; A87-L90 WeakPolarHBondContact O-CB 3.38Å; A87-L90 PolarHBondContact O-N 2.97Å; A87-L91 PolarHBondContact O-N 3.49Å |
| 88 | L | 91.2 | Very high | 82.5 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.6 | -38.1 | 179.9 | -65.6 | 176.6 | 0 | 0 | 0 | 111.6 | F65 L84 L91 E92 L118 L127 I130 L134 M761 | F65-L88 HydrophobicContact CE2-CD2 4.42Å; L84-L88 HydrophobicContact CD1-CD1 4.23Å; L84-L88 HydrophobicContact CD1-CG 4.17Å; L84-L88 HydrophobicContact CD2-CD1 4.27Å; L84-L88 HydrophobicContact CG-CD1 3.8Å; L84-L88 HydrophobicContact CG-CG 4.14Å; L84-L88 WeakPolarHBondContact O-CB 3.49Å; L84-L88 VanDerWaalsContact O-CG 3.24Å; L84-L88 WeakPolarHBondContact O-CG 3.38Å; L84-L88 PolarHBondContact O-N 3.15Å; L88-L91 PolarHBondContact O-N 3.36Å; L88-E92 PolarHBondContact O-N 2.98Å; L88-L118 HydrophobicContact CD2-CD1 3.54Å; L88-L118 HydrophobicContact CD2-CD2 3.99Å; L88-L118 HydrophobicContact CD2-CG 4.4Å; L88-L127 HydrophobicContact CD1-CD2 4.36Å; L88-I130 HydrophobicContact CD1-CD1 4.44Å; L88-I130 HydrophobicContact CD1-CG2 4.03Å; L88-L134 HydrophobicContact CD2-CD1 3.87Å; L88-M761 HydrophobicContact CB-CE 3.71Å |
| 89 | W | 91 | Very high | 84.4 | Confident | 53 Ų | 53 | 29 Ų | 29 | 20% | 0.201 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.4 | -42.1 | 173.6 | 180 | 86.5 | 0 | 0 | 0 | 111.9 | Y29 R33 L36 E85 A87 L91 E92 A93 M761 | Y29-W89 AromaticContact CE2-CE3 3.69Å; Y29-W89 HydrophobicContact CE2-CE3 3.69Å; Y29-W89 HydrophobicContact CE2-CZ3 4.02Å; R33-W89 VanDerWaalsContact NH1-CZ2 3.32Å; L36-W89 HydrophobicContact CD1-CH2 3.64Å; L36-W89 HydrophobicContact CD1-CZ3 4.31Å; E85-W89 VanDerWaalsContact O-CB 3.26Å; E85-W89 WeakPolarHBondContact O-CB 3.43Å; E85-W89 PolarHBondContact O-N 3.29Å; A87-W89 VanDerWaalsContact C-N 3.33Å; A87-W89 PolarHBondContact O-N 2.84Å; W89-L91 VanDerWaalsContact C-N 3.35Å; W89-E92 PolarHBondContact O-N 3.29Å; W89-A93 HydrophobicContact CH2-CB 4.42Å; W89-A93 HydrophobicContact CZ3-CB 4.44Å; W89-A93 WeakPolarHBondContact O-CB 3.34Å; W89-A93 PolarHBondContact O-N 2.79Å; W89-M761 HydrophobicContact CB-CE 4.3Å; W89-M761 HydrophobicContact CB-SD 4.29Å |
| 90 | L | 91.6 | Very high | 86.3 | Confident | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.8 | -43.1 | 175.2 | -99.9 | 153.5 | 0 | 0 | 0 | 111.6 | Y29 L32 L57 L60 F61 L64 S86 A87 A93 M94 | Y29-L90 HydrophobicContact CD2-CD1 3.62Å; Y29-L90 HydrophobicContact CD2-CG 4.29Å; Y29-L90 HydrophobicContact CE2-CD1 3.99Å; Y29-L90 HydrophobicContact CE2-CG 4.25Å; L32-L90 HydrophobicContact CD2-CD2 3.73Å; L32-L90 HydrophobicContact CD2-CG 4.39Å; L57-L90 HydrophobicContact CD2-CD2 3.8Å; L60-L90 HydrophobicContact CD2-CD1 3.95Å; L60-L90 HydrophobicContact CD2-CD2 4.48Å; L60-L90 HydrophobicContact CG-CD1 3.86Å; F61-L90 HydrophobicContact CB-CB 4.2Å; L64-L90 HydrophobicContact CD1-CD1 3.41Å; L64-L90 VanDerWaalsContact CD1-CD1 3.41Å; S86-L90 WeakPolarHBondContact O-CB 3.4Å; S86-L90 PolarHBondContact O-N 3.34Å; A87-L90 WeakPolarHBondContact O-CB 3.38Å; A87-L90 PolarHBondContact O-N 2.97Å; L90-A93 PolarHBondContact O-N 3.23Å; L90-M94 VanDerWaalsContact O-CG 3.32Å; L90-M94 WeakPolarHBondContact O-CG 3.42Å; L90-M94 PolarHBondContact O-N 3.46Å |
| 91 | L | 93.4 | Very high | 87.8 | Confident | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63 | -46.1 | 176.3 | -177.4 | 57 | 0 | 0 | 0 | 111.6 | F61 A87 L88 W89 A93 M94 L95 I111 L134 | F61-L91 HydrophobicContact CD2-CB 3.91Å; F61-L91 HydrophobicContact CE1-CD1 4.36Å; F61-L91 HydrophobicContact CE2-CB 3.68Å; F61-L91 HydrophobicContact CE2-CD1 4.44Å; F61-L91 HydrophobicContact CE2-CD2 3.94Å; F61-L91 HydrophobicContact CE2-CG 4.23Å; F61-L91 HydrophobicContact CZ-CB 4.24Å; F61-L91 HydrophobicContact CZ-CD1 4.16Å; F61-L91 HydrophobicContact CZ-CD2 3.84Å; F61-L91 HydrophobicContact CZ-CG 4.31Å; A87-L91 PolarHBondContact O-N 3.49Å; L88-L91 PolarHBondContact O-N 3.36Å; W89-L91 VanDerWaalsContact C-N 3.35Å; L91-A93 VanDerWaalsContact C-N 3.33Å; L91-A93 PolarHBondContact O-N 3.45Å; L91-M94 HydrophobicContact CB-CE 4.43Å; L91-M94 HydrophobicContact CD1-CE 4.1Å; L91-M94 PolarHBondContact O-N 2.94Å; L91-L95 HydrophobicContact CD1-CD1 4.36Å; L91-L95 HydrophobicContact CD1-CG 4.28Å; L91-L95 HydrophobicContact CG-CD1 4.26Å; L91-L95 WeakPolarHBondContact O-CG 3.25Å; L91-L95 PolarHBondContact O-N 3.45Å; L91-I111 HydrophobicContact CD1-CG1 4.35Å; L91-I111 HydrophobicContact CD1-CG2 4.32Å; L91-L134 HydrophobicContact CD2-CD1 4.04Å; L91-L134 HydrophobicContact CG-CD2 4.34Å |
| 92 | E | 93.2 | Very high | 88.7 | Confident | 19 Ų | 19 | 19.7 Ų | 19.7 | 9% | 0.089 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -56.7 | -47.7 | 174.1 | -174.1 | 173 | 163.9 | 0 | 0 | 111.2 | L88 W89 M94 L95 Q96 K133 L134 L137 | L88-E92 PolarHBondContact O-N 2.98Å; W89-E92 PolarHBondContact O-N 3.29Å; E92-M94 PolarHBondContact O-N 2.96Å; E92-L95 PolarHBondContact O-N 2.93Å; E92-Q96 HydrophobicContact CG-CG 4.48Å; E92-Q96 VanDerWaalsContact CG-NE2 3.29Å; E92-Q96 WeakPolarHBondContact O-CB 3.44Å; E92-Q96 VanDerWaalsContact O-CG 3.29Å; E92-Q96 WeakPolarHBondContact O-CG 3.47Å; E92-Q96 PolarHBondContact O-N 3.44Å; E92-Q96 PolarHBondContact OE1-NE2 2.91Å; E92-K133 WeakPolarHBondContact OE1-CE 3.37Å; E92-K133 IonicContact OE1-NZ 3.03Å; E92-K133 PolarHBondContact OE1-NZ 3.45Å; E92-K133 IonicContact OE2-NZ 2.76Å; E92-K133 PolarHBondContact OE2-NZ 3.1Å; E92-L134 HydrophobicContact CB-CD2 3.7Å; E92-L134 HydrophobicContact CG-CD2 4.32Å; E92-L137 HydrophobicContact CG-CD1 3.96Å |
| 93 | A | 89.1 | Confident | 89.1 | Confident | 19 Ų | 19 | 18.2 Ų | 18.2 | 16% | 0.157 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.4 | -41.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | W89 L90 L91 Q96 N97 | W89-A93 HydrophobicContact CH2-CB 4.42Å; W89-A93 HydrophobicContact CZ3-CB 4.44Å; W89-A93 WeakPolarHBondContact O-CB 3.34Å; W89-A93 PolarHBondContact O-N 2.79Å; L90-A93 PolarHBondContact O-N 3.23Å; L91-A93 VanDerWaalsContact C-N 3.33Å; L91-A93 PolarHBondContact O-N 3.45Å; A93-Q96 PolarHBondContact O-N 2.94Å; A93-N97 WeakPolarHBondContact O-CB 3.47Å; A93-N97 PolarHBondContact O-N 2.83Å; A93-N97 PolarHBondContact O-ND2 2.93Å |
| 94 | M | 93 | Very high | 89.4 | Confident | 7 Ų | 7 | 21.3 Ų | 21.3 | 3% | 0.034 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.7 | -45.5 | 176.1 | -71.9 | -177.4 | -63.4 | 0 | 0 | 111.7 | L57 F58 F61 L90 L91 E92 Q96 N97 L98 | L57-M94 HydrophobicContact CB-CG 4.31Å; L57-M94 HydrophobicContact CB-SD 4.04Å; F58-M94 HydrophobicContact CB-SD 4.09Å; F58-M94 HydrophobicContact CD2-CE 4.21Å; F58-M94 HydrophobicContact CD2-SD 4.18Å; F61-M94 HydrophobicContact CB-CE 3.49Å; F61-M94 VanDerWaalsContact CB-CE 3.49Å; F61-M94 HydrophobicContact CD1-CE 3.81Å; F61-M94 HydrophobicContact CD2-CE 4.29Å; F61-M94 HydrophobicContact CG-CE 3.58Å; L90-M94 VanDerWaalsContact O-CG 3.32Å; L90-M94 WeakPolarHBondContact O-CG 3.42Å; L90-M94 PolarHBondContact O-N 3.46Å; L91-M94 HydrophobicContact CB-CE 4.43Å; L91-M94 HydrophobicContact CD1-CE 4.1Å; L91-M94 PolarHBondContact O-N 2.94Å; E92-M94 PolarHBondContact O-N 2.96Å; M94-Q96 VanDerWaalsContact C-N 3.27Å; M94-Q96 PolarHBondContact O-N 3.21Å; M94-N97 PolarHBondContact O-N 3.06Å; M94-L98 HydrophobicContact CB-CD1 4.41Å; M94-L98 HydrophobicContact CG-CD1 4.38Å; M94-L98 VanDerWaalsContact O-CB 3.32Å; M94-L98 WeakPolarHBondContact O-CB 3.24Å; M94-L98 PolarHBondContact O-N 3.23Å |
| 95 | L | 92.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.3 | -34.1 | 178 | -66.9 | 175.2 | 0 | 0 | 0 | 112.4 | L91 E92 V102 L134 L137 W138 | L91-L95 HydrophobicContact CD1-CD1 4.36Å; L91-L95 HydrophobicContact CD1-CG 4.28Å; L91-L95 HydrophobicContact CG-CD1 4.26Å; L91-L95 WeakPolarHBondContact O-CG 3.25Å; L91-L95 PolarHBondContact O-N 3.45Å; E92-L95 PolarHBondContact O-N 2.93Å; L95-V102 HydrophobicContact CD2-CG1 4.22Å; L95-V102 HydrophobicContact CD2-CG2 4.29Å; L95-L134 HydrophobicContact CD1-CB 4.41Å; L95-L134 HydrophobicContact CD1-CD2 4.22Å; L95-L134 WeakPolarHBondContact CD1-O 3.43Å; L95-L137 HydrophobicContact CB-CB 4.09Å; L95-L137 HydrophobicContact CD1-CB 4.07Å; L95-W138 HydrophobicContact CD1-CB 4.14Å; L95-W138 HydrophobicContact CD2-CB 4Å; L95-W138 HydrophobicContact CD2-CG 4.22Å |
| 96 | Q | 92.5 | Very high | 89.7 | Confident | 34 Ų | 34 | 25.7 Ų | 25.7 | 16% | 0.159 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -73.6 | -38.7 | 176.9 | -74.5 | 173.1 | 2.4 | 0 | 0 | 113 | E92 A93 M94 L137 K240 L242 | E92-Q96 HydrophobicContact CG-CG 4.48Å; E92-Q96 VanDerWaalsContact CG-NE2 3.29Å; E92-Q96 WeakPolarHBondContact O-CB 3.44Å; E92-Q96 VanDerWaalsContact O-CG 3.29Å; E92-Q96 WeakPolarHBondContact O-CG 3.47Å; E92-Q96 PolarHBondContact O-N 3.44Å; E92-Q96 PolarHBondContact OE1-NE2 2.91Å; A93-Q96 PolarHBondContact O-N 2.94Å; M94-Q96 VanDerWaalsContact C-N 3.27Å; M94-Q96 PolarHBondContact O-N 3.21Å; Q96-L137 HydrophobicContact CG-CD1 4.37Å; Q96-K240 VanDerWaalsContact CB-O 3.31Å; Q96-K240 WeakPolarHBondContact CB-O 3.39Å; Q96-K240 HydrophobicContact CG-CB 3.97Å; Q96-K240 WeakPolarHBondContact CG-O 3.28Å; Q96-L242 WeakPolarHBondContact O-CB 3.45Å; Q96-L242 PolarHBondContact O-N 3.23Å |
| 97 | N | 91.6 | Very high | 89.8 | Confident | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.016 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -102.3 | -17.1 | -169.2 | -67.8 | -83.1 | 0 | 0 | 0 | 114.5 | A50 A93 M94 P99 | A50-N97 HydrophobicContact CB-CB 3.77Å; A93-N97 WeakPolarHBondContact O-CB 3.47Å; A93-N97 PolarHBondContact O-N 2.83Å; A93-N97 PolarHBondContact O-ND2 2.93Å; M94-N97 PolarHBondContact O-N 3.06Å; N97-P99 WeakPolarHBondContact O-CD 3.44Å |
| 98 | L | 92 | Very high | 89.6 | Confident | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | trans | -118.8 | 44.9 | -179 | -61.3 | 170.5 | 0 | 0 | 0 | 113.6 | A50 E51 M54 M94 E100 E101 V102 W106 | A50-L98 HydrophobicContact CB-CD1 4.5Å; A50-L98 HydrophobicContact CB-CD2 4.12Å; A50-L98 HydrophobicContact CB-CG 4.13Å; E51-L98 HydrophobicContact CB-CD2 4.4Å; E51-L98 HydrophobicContact CG-CD2 3.91Å; M54-L98 HydrophobicContact CB-CD1 3.86Å; M54-L98 HydrophobicContact CB-CD2 4.4Å; M94-L98 HydrophobicContact CB-CD1 4.41Å; M94-L98 HydrophobicContact CG-CD1 4.38Å; M94-L98 VanDerWaalsContact O-CB 3.32Å; M94-L98 WeakPolarHBondContact O-CB 3.24Å; M94-L98 PolarHBondContact O-N 3.23Å; L98-E100 VanDerWaalsContact C-N 3.31Å; L98-E100 PolarHBondContact O-N 3.2Å; L98-E101 PolarHBondContact O-N 3.35Å; L98-V102 VanDerWaalsContact O-CG2 3.29Å; L98-V102 WeakPolarHBondContact O-CG2 3.3Å; L98-V102 PolarHBondContact O-N 3.22Å; L98-W106 HydrophobicContact CD1-CH2 3.91Å; L98-W106 HydrophobicContact CD1-CZ3 3.7Å | ||
| 99 | P | 89.5 | Confident | 89.2 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.6 | -30.6 | -173 | 29.8 | -35.5 | 0 | 0 | 0 | 113 | N97 S103 V241 L242 W243 | N97-P99 WeakPolarHBondContact O-CD 3.44Å; P99-S103 VanDerWaalsContact O-CB 3.32Å; P99-S103 WeakPolarHBondContact O-CB 3.4Å; P99-S103 PolarHBondContact O-N 3.1Å; P99-V241 HydrophobicContact CB-CG1 3.58Å; P99-V241 HydrophobicContact CG-CG1 4.06Å; P99-L242 WeakPolarHBondContact CG-O 3.29Å; P99-W243 HydrophobicContact CB-CD2 3.95Å; P99-W243 HydrophobicContact CB-CE3 3.7Å; P99-W243 HydrophobicContact CB-CH2 3.93Å; P99-W243 HydrophobicContact CB-CZ2 4.14Å; P99-W243 HydrophobicContact CB-CZ3 3.69Å; P99-W243 HydrophobicContact CG-CD2 3.98Å; P99-W243 HydrophobicContact CG-CE3 3.79Å; P99-W243 HydrophobicContact CG-CG 4.38Å; P99-W243 HydrophobicContact CG-CZ3 4.27Å |
| 100 | E | 87.2 | Confident | 89 | Confident | 43 Ų | 43 | 34.8 Ų | 34.8 | 20% | 0.201 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.7 | -48.5 | 177.6 | -68.9 | 77.7 | -165.2 | 0 | 0 | 112.4 | K47 L98 S103 L104 W243 A244 | K47-E100 IonicContact NZ-OE1 2.7Å; K47-E100 PolarHBondContact NZ-OE1 3.45Å; K47-E100 IonicContact NZ-OE2 3.62Å; K47-E100 PolarHBondContact NZ-OE2 2.95Å; L98-E100 VanDerWaalsContact C-N 3.31Å; L98-E100 PolarHBondContact O-N 3.2Å; E100-S103 PolarHBondContact O-N 3.19Å; E100-S103 PolarHBondContact O-OG 3.33Å; E100-L104 PolarHBondContact O-N 3.03Å; E100-W243 WeakPolarHBondContact OE1-CA 3.26Å; E100-A244 PolarHBondContact OE1-N 2.9Å |
| 101 | E | 88.1 | Confident | 88.9 | Confident | 73 Ų | 73 | 34.8 Ų | 34.8 | 34% | 0.341 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -65.8 | -44 | 179.1 | -66.1 | -58.4 | 138.7 | 0 | 0 | 111.2 | M54 L98 S103 L104 W106 | M54-E101 HydrophobicContact CE-CB 4.19Å; M54-E101 HydrophobicContact CE-CG 3.77Å; M54-E101 HydrophobicContact SD-CG 4.32Å; L98-E101 PolarHBondContact O-N 3.35Å; E101-S103 VanDerWaalsContact C-N 3.27Å; E101-S103 PolarHBondContact O-N 3.09Å; E101-L104 WeakPolarHBondContact O-CA 3.32Å; E101-L104 WeakPolarHBondContact O-CB 3.15Å; E101-L104 PolarHBondContact O-N 2.93Å; E101-W106 HydrophobicContact CB-CB 3.98Å; E101-W106 HydrophobicContact CB-CD2 4.24Å; E101-W106 HydrophobicContact CB-CE3 4.1Å; E101-W106 HydrophobicContact CB-CG 4.21Å; E101-W106 WeakPolarHBondContact O-CB 3.41Å; E101-W106 PolarHBondContact O-N 2.84Å; E101-W106 VanDerWaalsContact O-N 3.1Å |
| 102 | V | 88.5 | Confident | 88.6 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.5 | -38.1 | 177.2 | 177.1 | 0 | 0 | 0 | 0 | 110.7 | L95 L98 L104 R105 W106 C141 L142 | L95-V102 HydrophobicContact CD2-CG1 4.22Å; L95-V102 HydrophobicContact CD2-CG2 4.29Å; L98-V102 VanDerWaalsContact O-CG2 3.29Å; L98-V102 WeakPolarHBondContact O-CG2 3.3Å; L98-V102 PolarHBondContact O-N 3.22Å; V102-L104 PolarHBondContact O-N 3.15Å; V102-R105 WeakPolarHBondContact O-CA 3.46Å; V102-R105 PolarHBondContact O-N 2.94Å; V102-W106 HydrophobicContact CG2-CE3 4.23Å; V102-C141 HydrophobicContact CB-CB 3.94Å; V102-C141 HydrophobicContact CG1-CB 3.53Å; V102-L142 HydrophobicContact CG1-CG 4.44Å; V102-L142 WeakPolarHBondContact O-CD2 3.39Å |
| 103 | S | 83.9 | Confident | 88.2 | Confident | 21 Ų | 21 | 35.6 Ų | 35.6 | 15% | 0.147 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.7 | -27.5 | 175.9 | 80 | 0 | 0 | 0 | 0 | 113.3 | P99 E100 E101 R105 C141 | P99-S103 VanDerWaalsContact O-CB 3.32Å; P99-S103 WeakPolarHBondContact O-CB 3.4Å; P99-S103 PolarHBondContact O-N 3.1Å; E100-S103 PolarHBondContact O-N 3.19Å; E100-S103 PolarHBondContact O-OG 3.33Å; E101-S103 VanDerWaalsContact C-N 3.27Å; E101-S103 PolarHBondContact O-N 3.09Å; S103-R105 PolarHBondContact O-N 3.21Å; S103-C141 VanDerWaalsContact CA-O 3.27Å; S103-C141 WeakPolarHBondContact CA-O 3.4Å; S103-C141 WeakPolarHBondContact CB-O 3.37Å |
| 104 | L | 85.2 | Confident | 88.2 | Confident | 111 Ų | 111 | 34.9 Ų | 34.9 | 58% | 0.581 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | 13.7 | 172.5 | -62.9 | 176.1 | 0 | 0 | 0 | 113.1 | E100 E101 V102 W106 | E100-L104 PolarHBondContact O-N 3.03Å; E101-L104 WeakPolarHBondContact O-CA 3.32Å; E101-L104 WeakPolarHBondContact O-CB 3.15Å; E101-L104 PolarHBondContact O-N 2.93Å; V102-L104 PolarHBondContact O-N 3.15Å; L104-W106 VanDerWaalsContact C-N 3.28Å; L104-W106 PolarHBondContact O-N 3.23Å |
| 105 | R | 85.1 | Confident | 88 | Confident | 100 Ų | 100 | 34.5 Ų | 34.5 | 38% | 0.377 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 28.2 | -176.3 | -58.6 | -177.3 | 170.5 | -155.7 | -4.8 | 113.5 | V102 S103 Q107 Y108 L142 Y147 | V102-R105 WeakPolarHBondContact O-CA 3.46Å; V102-R105 PolarHBondContact O-N 2.94Å; S103-R105 PolarHBondContact O-N 3.21Å; R105-Q107 PolarHBondContact O-N 2.91Å; R105-Y108 HydrophobicContact CB-CD2 4.35Å; R105-Y108 HydrophobicContact CB-CG 4.24Å; R105-Y108 HydrophobicContact CG-CD2 4.22Å; R105-Y108 HydrophobicContact CG-CG 4.49Å; R105-Y108 WeakPolarHBondContact O-CB 3.45Å; R105-Y108 PolarHBondContact O-N 3.38Å; R105-Y108 VanDerWaalsContact O-N 3.14Å; R105-L142 HydrophobicContact CG-CD2 4.09Å; R105-Y147 PolarHBondContact NH2-O 3.07Å; R105-Y147 VanDerWaalsContact NH2-O 3.07Å |
| 106 | W | 88.8 | Confident | 87.9 | Confident | 37 Ų | 37 | 35.8 Ų | 35.8 | 14% | 0.14 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 125.7 | 172.4 | 177.9 | 68.5 | 0 | 0 | 0 | 110.9 | M54 F58 L98 E101 V102 L104 Y108 | M54-W106 HydrophobicContact CB-CH2 3.91Å; M54-W106 HydrophobicContact CB-CZ2 3.97Å; M54-W106 HydrophobicContact CE-CD2 3.71Å; M54-W106 HydrophobicContact CE-CE3 4.36Å; M54-W106 HydrophobicContact CE-CG 4.05Å; M54-W106 HydrophobicContact CE-CH2 4.23Å; M54-W106 HydrophobicContact CE-CZ2 3.56Å; M54-W106 VanDerWaalsContact CE-NE1 3.31Å; M54-W106 HydrophobicContact CG-CZ2 4.28Å; M54-W106 WeakPolarHBondContact O-CH2 3.46Å; M54-W106 WeakPolarHBondContact O-CZ2 3.45Å; F58-W106 HydrophobicContact CB-CH2 3.88Å; F58-W106 HydrophobicContact CB-CZ2 3.96Å; F58-W106 HydrophobicContact CD2-CH2 4.43Å; F58-W106 HydrophobicContact CG-CH2 4.4Å; F58-W106 HydrophobicContact CG-CZ2 4.39Å; L98-W106 HydrophobicContact CD1-CH2 3.91Å; L98-W106 HydrophobicContact CD1-CZ3 3.7Å; E101-W106 HydrophobicContact CB-CB 3.98Å; E101-W106 HydrophobicContact CB-CD2 4.24Å; E101-W106 HydrophobicContact CB-CE3 4.1Å; E101-W106 HydrophobicContact CB-CG 4.21Å; E101-W106 WeakPolarHBondContact O-CB 3.41Å; E101-W106 PolarHBondContact O-N 2.84Å; E101-W106 VanDerWaalsContact O-N 3.1Å; V102-W106 HydrophobicContact CG2-CE3 4.23Å; L104-W106 VanDerWaalsContact C-N 3.28Å; L104-W106 PolarHBondContact O-N 3.23Å; W106-Y108 PolarHBondContact O-N 2.89Å |
| 107 | Q | 88.7 | Confident | 87.6 | Confident | 78 Ų | 78 | 36.5 Ų | 36.5 | 36% | 0.364 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 25.6 | -176.6 | -57.8 | -61 | -23.6 | 0 | 0 | 114.8 | F58 R105 V109 A110 I111 | F58-Q107 HydrophobicContact CD1-CG 3.76Å; F58-Q107 HydrophobicContact CD2-CB 4.09Å; F58-Q107 HydrophobicContact CD2-CG 3.89Å; F58-Q107 HydrophobicContact CE1-CB 4.07Å; F58-Q107 VanDerWaalsContact CE1-CD 3.49Å; F58-Q107 HydrophobicContact CE1-CG 3.66Å; F58-Q107 VanDerWaalsContact CE1-OE1 3.31Å; F58-Q107 HydrophobicContact CE2-CB 3.58Å; F58-Q107 HydrophobicContact CE2-CG 3.81Å; F58-Q107 HydrophobicContact CG-CG 3.88Å; F58-Q107 HydrophobicContact CZ-CB 3.58Å; F58-Q107 HydrophobicContact CZ-CG 3.7Å; R105-Q107 PolarHBondContact O-N 2.91Å; Q107-V109 VanDerWaalsContact C-N 3.33Å; Q107-V109 PolarHBondContact O-N 3.31Å; Q107-A110 PolarHBondContact O-N 2.93Å; Q107-A110 VanDerWaalsContact O-N 3.13Å; Q107-I111 HydrophobicContact CB-CD1 4.13Å; Q107-I111 HydrophobicContact CB-CG1 4.27Å; Q107-I111 WeakPolarHBondContact O-CG1 3.43Å; Q107-I111 PolarHBondContact O-N 3.03Å |
| 108 | Y | 84.8 | Confident | 87.5 | Confident | 39 Ų | 39 | 36.3 Ų | 36.3 | 15% | 0.153 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -51.5 | -46.7 | -174 | 176 | -92 | 0 | 0 | 0 | 113.7 | R105 W106 G112 W138 L142 | R105-Y108 HydrophobicContact CB-CD2 4.35Å; R105-Y108 HydrophobicContact CB-CG 4.24Å; R105-Y108 HydrophobicContact CG-CD2 4.22Å; R105-Y108 HydrophobicContact CG-CG 4.49Å; R105-Y108 WeakPolarHBondContact O-CB 3.45Å; R105-Y108 PolarHBondContact O-N 3.38Å; R105-Y108 VanDerWaalsContact O-N 3.14Å; W106-Y108 PolarHBondContact O-N 2.89Å; Y108-G112 PolarHBondContact O-N 3.03Å; Y108-W138 HydrophobicContact CD2-CH2 4.06Å; Y108-W138 AromaticContact CD2-CZ2 3.41Å; Y108-W138 HydrophobicContact CD2-CZ2 3.41Å; Y108-W138 VanDerWaalsContact CD2-CZ2 3.41Å; Y108-W138 AromaticContact CE2-CH2 3.61Å; Y108-W138 HydrophobicContact CE2-CH2 3.61Å; Y108-W138 AromaticContact CE2-CZ2 3.43Å; Y108-W138 HydrophobicContact CE2-CZ2 3.43Å; Y108-W138 VanDerWaalsContact CE2-CZ2 3.43Å; Y108-W138 HydrophobicContact CG-CZ2 4.13Å; Y108-W138 AromaticContact CZ-CH2 3.98Å; Y108-L142 HydrophobicContact CD2-CD1 3.87Å; Y108-L142 HydrophobicContact CD2-CD2 4Å; Y108-L142 HydrophobicContact CE2-CD1 3.68Å; Y108-L142 HydrophobicContact CE2-CD2 4.33Å |
| 109 | V | 83.6 | Confident | 87.4 | Confident | 112 Ų | 112 | 36.4 Ų | 36.4 | 68% | 0.679 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -66.2 | -41.6 | -177.7 | 179.4 | 0 | 0 | 0 | 0 | 111.8 | Q107 S113 | Q107-V109 VanDerWaalsContact C-N 3.33Å; Q107-V109 PolarHBondContact O-N 3.31Å; V109-S113 WeakPolarHBondContact O-CB 3.42Å; V109-S113 PolarHBondContact O-N 3.07Å |
| 110 | A | 86 | Confident | 87.3 | Confident | 27 Ų | 27 | 36.5 Ų | 36.5 | 22% | 0.223 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -73 | -44.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F58 Q107 G112 S113 C114 | F58-A110 HydrophobicContact CE1-CB 4.34Å; F58-A110 HydrophobicContact CZ-CB 3.64Å; Q107-A110 PolarHBondContact O-N 2.93Å; Q107-A110 VanDerWaalsContact O-N 3.13Å; A110-G112 VanDerWaalsContact C-N 3.35Å; A110-G112 PolarHBondContact O-N 3.24Å; A110-S113 PolarHBondContact O-N 3.34Å; A110-C114 PolarHBondContact O-N 3.44Å; A110-C114 PolarHBondContact O-SG 3.26Å |
| 111 | I | 89.8 | Confident | 87.1 | Confident | 3 Ų | 3 | 35.7 Ų | 35.7 | 2% | 0.015 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60 | -47.3 | 173 | -62.9 | 170.5 | 0 | 0 | 0 | 109.9 | F58 L91 Q107 S113 C114 L115 W138 | F58-I111 HydrophobicContact CE2-CG1 3.98Å; L91-I111 HydrophobicContact CD1-CG1 4.35Å; L91-I111 HydrophobicContact CD1-CG2 4.32Å; Q107-I111 HydrophobicContact CB-CD1 4.13Å; Q107-I111 HydrophobicContact CB-CG1 4.27Å; Q107-I111 WeakPolarHBondContact O-CG1 3.43Å; Q107-I111 PolarHBondContact O-N 3.03Å; I111-S113 VanDerWaalsContact C-N 3.32Å; I111-S113 PolarHBondContact O-N 3.25Å; I111-C114 PolarHBondContact O-N 3Å; I111-C114 VanDerWaalsContact O-N 3.17Å; I111-L115 HydrophobicContact CG2-CD1 4Å; I111-L115 HydrophobicContact CG2-CG 4.41Å; I111-L115 WeakPolarHBondContact O-CG 3.34Å; I111-L115 PolarHBondContact O-N 3.47Å; I111-W138 HydrophobicContact CG2-CD2 4.11Å; I111-W138 HydrophobicContact CG2-CG 4.05Å; I111-W138 HydrophobicContact CG2-CZ2 4.39Å |
| 112 | G | 87.4 | Confident | 86.7 | Confident | 3 Ų | 3 | 38 Ų | 38 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.8 | -40.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y108 A110 L115 R116 | Y108-G112 PolarHBondContact O-N 3.03Å; A110-G112 VanDerWaalsContact C-N 3.35Å; A110-G112 PolarHBondContact O-N 3.24Å; G112-L115 PolarHBondContact O-N 2.87Å; G112-R116 WeakPolarHBondContact O-CG 3.4Å; G112-R116 PolarHBondContact O-N 3.07Å |
| 113 | S | 85 | Confident | 86.3 | Confident | 33 Ų | 33 | 38.1 Ų | 38.1 | 23% | 0.231 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.4 | -39.5 | 175.6 | -173.5 | 0 | 0 | 0 | 0 | 112.7 | V109 A110 I111 R117 | V109-S113 WeakPolarHBondContact O-CB 3.42Å; V109-S113 PolarHBondContact O-N 3.07Å; A110-S113 PolarHBondContact O-N 3.34Å; I111-S113 VanDerWaalsContact C-N 3.32Å; I111-S113 PolarHBondContact O-N 3.25Å; S113-R117 WeakPolarHBondContact O-CG 3.38Å; S113-R117 PolarHBondContact O-N 3.3Å |
| 114 | C | 88 | Confident | 86 | Confident | 4 Ų | 4 | 40.3 Ų | 40.3 | 3% | 0.027 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66 | -43.9 | 175.1 | -70.2 | 0 | 0 | 0 | 0 | 111.1 | F61 F65 A110 I111 R116 R117 L118 | F61-C114 HydrophobicContact CZ-CB 4.15Å; F65-C114 HydrophobicContact CE1-CB 4.3Å; F65-C114 HydrophobicContact CE2-CB 4.34Å; F65-C114 HydrophobicContact CZ-CB 4.05Å; A110-C114 PolarHBondContact O-N 3.44Å; A110-C114 PolarHBondContact O-SG 3.26Å; I111-C114 PolarHBondContact O-N 3Å; I111-C114 VanDerWaalsContact O-N 3.17Å; C114-R116 PolarHBondContact O-N 3.49Å; C114-R117 PolarHBondContact O-N 3.09Å; C114-L118 WeakPolarHBondContact O-CG 3.47Å; C114-L118 PolarHBondContact O-N 2.92Å; C114-L118 VanDerWaalsContact O-N 3.14Å |
| 115 | L | 90.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63 | -40.6 | 178.3 | -71 | 173.7 | 0 | 0 | 0 | 112.5 | I111 G112 R117 L118 L119 L134 F135 W138 W155 | I111-L115 HydrophobicContact CG2-CD1 4Å; I111-L115 HydrophobicContact CG2-CG 4.41Å; I111-L115 WeakPolarHBondContact O-CG 3.34Å; I111-L115 PolarHBondContact O-N 3.47Å; G112-L115 PolarHBondContact O-N 2.87Å; L115-R117 VanDerWaalsContact C-N 3.29Å; L115-R117 PolarHBondContact O-N 3.16Å; L115-L118 PolarHBondContact O-N 3.28Å; L115-L118 VanDerWaalsContact O-N 3.15Å; L115-L119 WeakPolarHBondContact O-CB 3.5Å; L115-L119 WeakPolarHBondContact O-CG 3.43Å; L115-L119 PolarHBondContact O-N 2.95Å; L115-L134 HydrophobicContact CD2-CB 3.71Å; L115-F135 HydrophobicContact CD1-CB 4.49Å; L115-F135 HydrophobicContact CD1-CD2 4.43Å; L115-F135 HydrophobicContact CD2-CB 4.38Å; L115-W138 HydrophobicContact CD1-CB 4.14Å; L115-W138 HydrophobicContact CD1-CD2 3.62Å; L115-W138 HydrophobicContact CD1-CE3 3.27Å; L115-W138 HydrophobicContact CD1-CG 4.04Å; L115-W138 HydrophobicContact CD1-CZ3 3.83Å; L115-W155 HydrophobicContact CB-CZ3 4.27Å |
| 116 | R | 88.9 | Confident | 85.2 | Confident | 27 Ų | 27 | 33.6 Ų | 33.6 | 10% | 0.102 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56 | -42.9 | 173.8 | -73.2 | -179.4 | -173.9 | 119.9 | -0.4 | 112.1 | G112 C114 L118 H120 W155 I178 C179 V204 | G112-R116 WeakPolarHBondContact O-CG 3.4Å; G112-R116 PolarHBondContact O-N 3.07Å; C114-R116 PolarHBondContact O-N 3.49Å; R116-L118 PolarHBondContact O-N 2.99Å; R116-H120 WeakPolarHBondContact O-CB 3.41Å; R116-H120 PolarHBondContact O-N 3.3Å; R116-W155 HydrophobicContact CG-CH2 3.34Å; R116-W155 HydrophobicContact CG-CZ2 3.96Å; R116-W155 HydrophobicContact CG-CZ3 3.95Å; R116-I178 WeakPolarHBondContact CD-O 3.29Å; R116-I178 PolarHBondContact NE-O 2.95Å; R116-C179 HydrophobicContact CB-CB 4.19Å; R116-C179 PolarHBondContact O-SG 2.87Å; R116-V204 HydrophobicContact CB-CG1 4.39Å |
| 117 | R | 87.2 | Confident | 85 | Confident | 48 Ų | 48 | 32 Ų | 32 | 18% | 0.181 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66 | -38.4 | 178.4 | -66.6 | 172.3 | -174.1 | -177.1 | -5.6 | 112.2 | E69 S113 C114 L115 S123 V204 L207 | E69-R117 IonicContact OE1-CZ 3.37Å; E69-R117 IonicContact OE1-NE 3.2Å; E69-R117 IonicContact OE1-NH1 3.85Å; E69-R117 PolarHBondContact OE1-NH1 3.21Å; E69-R117 IonicContact OE1-NH2 3.68Å; E69-R117 IonicContact OE2-CZ 3.95Å; E69-R117 IonicContact OE2-NH1 3.66Å; E69-R117 PolarHBondContact OE2-NH1 3.43Å; S113-R117 WeakPolarHBondContact O-CG 3.38Å; S113-R117 PolarHBondContact O-N 3.3Å; C114-R117 PolarHBondContact O-N 3.09Å; L115-R117 VanDerWaalsContact C-N 3.29Å; L115-R117 PolarHBondContact O-N 3.16Å; R117-S123 PolarHBondContact O-OG 3.28Å; R117-V204 HydrophobicContact CG-CG1 3.42Å; R117-V204 VanDerWaalsContact CG-CG1 3.42Å; R117-L207 HydrophobicContact CB-CD1 4.26Å; R117-L207 HydrophobicContact CB-CG 4.41Å |
| 118 | L | 88.5 | Confident | 85 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -72.5 | -41 | 178.5 | -65.5 | 171.5 | 0 | 0 | 0 | 112.5 | F65 L88 C114 L115 R116 R128 L134 L207 | F65-L118 HydrophobicContact CE2-CD2 4.5Å; L88-L118 HydrophobicContact CD2-CD1 3.54Å; L88-L118 HydrophobicContact CD2-CD2 3.99Å; L88-L118 HydrophobicContact CD2-CG 4.4Å; C114-L118 WeakPolarHBondContact O-CG 3.47Å; C114-L118 PolarHBondContact O-N 2.92Å; C114-L118 VanDerWaalsContact O-N 3.14Å; L115-L118 PolarHBondContact O-N 3.28Å; L115-L118 VanDerWaalsContact O-N 3.15Å; R116-L118 PolarHBondContact O-N 2.99Å; L118-R128 VanDerWaalsContact O-CA 3.31Å; L118-R128 WeakPolarHBondContact O-CA 3.32Å; L118-R128 WeakPolarHBondContact O-CG 3.45Å; L118-L134 HydrophobicContact CD1-CD1 3.98Å; L118-L207 HydrophobicContact CD2-CD1 4.29Å |
| 119 | L | 90 | Very high | 85 | Confident | 4 Ų | 4 | 27.3 Ų | 27.3 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -82.1 | -16.9 | -176.5 | -71.6 | 173.3 | 0 | 0 | 0 | 114 | L115 R128 L132 F135 W155 L159 L175 | L115-L119 WeakPolarHBondContact O-CB 3.5Å; L115-L119 WeakPolarHBondContact O-CG 3.43Å; L115-L119 PolarHBondContact O-N 2.95Å; L119-R128 PolarHBondContact O-NE 3.35Å; L119-L132 HydrophobicContact CD2-CB 4.37Å; L119-F135 HydrophobicContact CD1-CB 4.08Å; L119-F135 HydrophobicContact CD1-CD2 4.19Å; L119-F135 HydrophobicContact CD1-CG 4.23Å; L119-W155 HydrophobicContact CD1-CE3 4.19Å; L119-W155 HydrophobicContact CD1-CZ3 4.42Å; L119-L159 HydrophobicContact CD1-CD2 3.9Å; L119-L159 HydrophobicContact CD2-CD2 4.1Å; L119-L175 WeakPolarHBondContact O-CD2 3.38Å |
| 120 | H | 88.4 | Confident | 85.2 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | trans | -47.9 | 134.3 | -177.2 | -168.5 | -78.8 | 0 | 0 | 0 | 111.8 | R116 Q122 S123 R128 C179 E180 A206 | R116-H120 WeakPolarHBondContact O-CB 3.41Å; R116-H120 PolarHBondContact O-N 3.3Å; H120-Q122 PolarHBondContact ND1-N 2.96Å; H120-Q122 VanDerWaalsContact ND1-N 3.15Å; H120-Q122 PolarHBondContact O-N 3.41Å; H120-Q122 VanDerWaalsContact O-N 3.08Å; H120-S123 VanDerWaalsContact O-CB 3.26Å; H120-S123 WeakPolarHBondContact O-CB 3.39Å; H120-S123 PolarHBondContact O-N 2.88Å; H120-S123 PolarHBondContact O-OG 2.81Å; H120-R128 WeakPolarHBondContact O-CD 3.37Å; H120-C179 HydrophobicContact CB-CB 4.41Å; H120-E180 IonicContact CE1-OE1 3.79Å; H120-E180 IonicContact NE2-OE1 2.74Å; H120-E180 PolarHBondContact NE2-OE1 2.56Å; H120-A206 HydrophobicContact CB-CB 4.25Å; H120-A206 WeakPolarHBondContact ND1-CB 3.5Å | ||
| 121 | P | 82.9 | Confident | 85.4 | Confident | 27 Ų | 27 | 20.7 Ų | 20.7 | 18% | 0.175 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -30.3 | -173.8 | -29.3 | 36 | 0 | 0 | 0 | 115.7 | S123 R128 D172 L175 Q176 | P121-S123 VanDerWaalsContact C-N 3.34Å; P121-R128 PolarHBondContact O-NH1 3.13Å; P121-D172 HydrophobicContact CB-CB 4.28Å; P121-D172 HydrophobicContact CG-CB 4.3Å; P121-D172 WeakPolarHBondContact CG-O 3.38Å; P121-L175 HydrophobicContact CG-CB 4.32Å; P121-L175 HydrophobicContact CG-CD2 4.49Å; P121-Q176 HydrophobicContact CG-CB 3.98Å |
| 122 | Q | 79.1 | Confident | 85.6 | Confident | 120 Ų | 120 | 20.6 Ų | 20.6 | 56% | 0.561 | 11% | 0.107 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -6 | 176.3 | -60.1 | 175.1 | 5.7 | 0 | 0 | 114.6 | H120 A206 | H120-Q122 PolarHBondContact ND1-N 2.96Å; H120-Q122 VanDerWaalsContact ND1-N 3.15Å; H120-Q122 PolarHBondContact O-N 3.41Å; H120-Q122 VanDerWaalsContact O-N 3.08Å; Q122-A206 HydrophobicContact CB-CB 3.68Å |
| 123 | S | 80.8 | Confident | 85.9 | Confident | 6 Ų | 6 | 21.4 Ų | 21.4 | 4% | 0.042 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -74.3 | 153.1 | 175.5 | -65.9 | 0 | 0 | 0 | 0 | 111 | R117 H120 P121 I125 | R117-S123 PolarHBondContact O-OG 3.28Å; H120-S123 VanDerWaalsContact O-CB 3.26Å; H120-S123 WeakPolarHBondContact O-CB 3.39Å; H120-S123 PolarHBondContact O-N 2.88Å; H120-S123 PolarHBondContact O-OG 2.81Å; P121-S123 VanDerWaalsContact C-N 3.34Å; S123-I125 PolarHBondContact O-N 3.48Å |
| 124 | L | 77 | Confident | 86.3 | Confident | 66 Ų | 66 | 19.8 Ų | 19.8 | 35% | 0.346 | 10% | 0.099 | S | C | . | . | trans | -52.8 | 139.5 | 177.6 | -68.7 | 171.9 | 0 | 0 | 0 | 111.3 | G126 L127 R128 V209 | L124-G126 VanDerWaalsContact C-N 3.26Å; L124-G126 PolarHBondContact O-N 3.45Å; L124-L127 HydrophobicContact CB-CB 4.35Å; L124-L127 HydrophobicContact CB-CD1 4.17Å; L124-L127 HydrophobicContact CB-CG 4.21Å; L124-L127 HydrophobicContact CD1-CD1 4.24Å; L124-L127 WeakPolarHBondContact O-CA 3.22Å; L124-L127 WeakPolarHBondContact O-CB 3.09Å; L124-L127 PolarHBondContact O-N 2.78Å; L124-R128 PolarHBondContact O-N 3.47Å; L124-V209 HydrophobicContact CD1-CB 4.33Å; L124-V209 HydrophobicContact CD1-CG2 4.28Å | ||
| 125 | I | 77.1 | Confident | 86.5 | Confident | 56 Ų | 56 | 19.6 Ų | 19.6 | 29% | 0.287 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -53 | -44.1 | -178.5 | -70.1 | 165.5 | 0 | 0 | 0 | 111.6 | S123 L127 R128 R129 I222 F226 | S123-I125 PolarHBondContact O-N 3.48Å; I125-L127 PolarHBondContact O-N 3.03Å; I125-R128 PolarHBondContact O-N 3.5Å; I125-R129 WeakPolarHBondContact O-CG 3.43Å; I125-R129 PolarHBondContact O-N 3.28Å; I125-I222 HydrophobicContact CD1-CD1 3.92Å; I125-I222 HydrophobicContact CD1-CG1 4.16Å; I125-F226 HydrophobicContact CG2-CE2 3.8Å; I125-F226 HydrophobicContact CG2-CZ 4.36Å |
| 126 | G | 76.9 | Confident | 86.6 | Confident | 15 Ų | 15 | 19.8 Ų | 19.8 | 16% | 0.155 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.4 | -40.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L124 R129 I130 M764 | L124-G126 VanDerWaalsContact C-N 3.26Å; L124-G126 PolarHBondContact O-N 3.45Å; G126-R129 PolarHBondContact O-N 2.59Å; G126-I130 WeakPolarHBondContact O-CG1 3.41Å; G126-I130 PolarHBondContact O-N 3.22Å; G126-I130 VanDerWaalsContact O-N 3.12Å; G126-M764 WeakPolarHBondContact CA-O 3.41Å |
| 127 | L | 83.3 | Confident | 86.8 | Confident | 3 Ų | 3 | 18.5 Ų | 18.5 | 2% | 0.016 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -68.6 | -40.9 | 176 | -69.7 | 176.9 | 0 | 0 | 0 | 112.1 | L84 L88 L124 I125 R129 I130 G131 L765 | L84-L127 HydrophobicContact CD2-CD1 4.43Å; L84-L127 HydrophobicContact CD2-CD2 3.57Å; L88-L127 HydrophobicContact CD1-CD2 4.36Å; L124-L127 HydrophobicContact CB-CB 4.35Å; L124-L127 HydrophobicContact CB-CD1 4.17Å; L124-L127 HydrophobicContact CB-CG 4.21Å; L124-L127 HydrophobicContact CD1-CD1 4.24Å; L124-L127 WeakPolarHBondContact O-CA 3.22Å; L124-L127 WeakPolarHBondContact O-CB 3.09Å; L124-L127 PolarHBondContact O-N 2.78Å; I125-L127 PolarHBondContact O-N 3.03Å; L127-R129 VanDerWaalsContact C-N 3.31Å; L127-R129 PolarHBondContact O-N 3.47Å; L127-I130 PolarHBondContact O-N 3.07Å; L127-G131 PolarHBondContact O-N 3.43Å; L127-L765 HydrophobicContact CD2-CD2 3.56Å; L127-L765 HydrophobicContact CG-CD2 4.29Å |
| 128 | R | 88.7 | Confident | 87 | Confident | 13 Ų | 13 | 16.3 Ų | 16.3 | 5% | 0.049 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.4 | -39.2 | 174.7 | -74.3 | -176.5 | 70.2 | -176.7 | -1 | 111.5 | L118 L119 H120 P121 L124 I125 G131 L132 D172 F226 | L118-R128 VanDerWaalsContact O-CA 3.31Å; L118-R128 WeakPolarHBondContact O-CA 3.32Å; L118-R128 WeakPolarHBondContact O-CG 3.45Å; L119-R128 PolarHBondContact O-NE 3.35Å; H120-R128 WeakPolarHBondContact O-CD 3.37Å; P121-R128 PolarHBondContact O-NH1 3.13Å; L124-R128 PolarHBondContact O-N 3.47Å; I125-R128 PolarHBondContact O-N 3.5Å; R128-G131 CarbonylContact O-C 3.56Å; R128-G131 PolarHBondContact O-N 3.23Å; R128-L132 WeakPolarHBondContact O-CB 3.44Å; R128-L132 PolarHBondContact O-N 3Å; R128-D172 IonicContact CZ-OD1 3.34Å; R128-D172 IonicContact NH1-OD1 3.69Å; R128-D172 PolarHBondContact NH1-OD1 2.95Å; R128-D172 IonicContact NH2-OD1 2.85Å; R128-D172 PolarHBondContact NH2-OD1 3.37Å; R128-F226 HydrophobicContact CB-CE1 3.73Å; R128-F226 HydrophobicContact CB-CZ 3.54Å; R128-F226 HydrophobicContact CG-CZ 4.49Å |
| 129 | R | 86.7 | Confident | 87 | Confident | 5 Ų | 5 | 17 Ų | 17 | 2% | 0.019 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -65.1 | -39 | 174.7 | -70.6 | 177.8 | -178.3 | 163.4 | 5.6 | 112.7 | I125 G126 L127 L132 K133 S225 F226 M764 | I125-R129 WeakPolarHBondContact O-CG 3.43Å; I125-R129 PolarHBondContact O-N 3.28Å; G126-R129 PolarHBondContact O-N 2.59Å; L127-R129 VanDerWaalsContact C-N 3.31Å; L127-R129 PolarHBondContact O-N 3.47Å; R129-L132 WeakPolarHBondContact O-CB 3.15Å; R129-L132 PolarHBondContact O-N 2.81Å; R129-K133 PolarHBondContact O-N 3.46Å; R129-S225 VanDerWaalsContact CZ-OG 3.25Å; R129-S225 PolarHBondContact NH2-OG 2.78Å; R129-F226 HydrophobicContact CG-CE1 4.39Å; R129-F226 HydrophobicContact CG-CE2 4.44Å; R129-F226 HydrophobicContact CG-CZ 4.27Å; R129-M764 HydrophobicContact CB-CE 3.44Å; R129-M764 VanDerWaalsContact CB-CE 3.44Å |
| 130 | I | 86.7 | Confident | 87 | Confident | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -68 | -41.7 | 173.6 | -63.6 | 164.8 | 0 | 0 | 0 | 110.2 | L88 G126 L127 L132 K133 L134 M764 L765 | L88-I130 HydrophobicContact CD1-CD1 4.44Å; L88-I130 HydrophobicContact CD1-CG2 4.03Å; G126-I130 WeakPolarHBondContact O-CG1 3.41Å; G126-I130 PolarHBondContact O-N 3.22Å; G126-I130 VanDerWaalsContact O-N 3.12Å; L127-I130 PolarHBondContact O-N 3.07Å; I130-L132 VanDerWaalsContact C-N 3.29Å; I130-L132 PolarHBondContact O-N 3.32Å; I130-K133 WeakPolarHBondContact O-CB 3.3Å; I130-K133 PolarHBondContact O-N 3.31Å; I130-L134 HydrophobicContact CG2-CD1 3.82Å; I130-L134 HydrophobicContact CG2-CG 4.25Å; I130-L134 VanDerWaalsContact O-CG 3.31Å; I130-L134 WeakPolarHBondContact O-CG 3.21Å; I130-L134 PolarHBondContact O-N 3.26Å; I130-M764 HydrophobicContact CD1-CB 4.3Å; I130-M764 HydrophobicContact CG1-CB 4.16Å; I130-M764 HydrophobicContact CG1-CE 3.9Å; I130-M764 HydrophobicContact CG1-SD 4.17Å; I130-L765 HydrophobicContact CD1-CD1 4.41Å; I130-L765 HydrophobicContact CD1-CD2 3.67Å; I130-L765 HydrophobicContact CD1-CG 3.7Å |
| 131 | G | 90.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -56.9 | -42.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L127 R128 L134 F135 | L127-G131 PolarHBondContact O-N 3.43Å; R128-G131 CarbonylContact O-C 3.56Å; R128-G131 PolarHBondContact O-N 3.23Å; G131-L134 PolarHBondContact O-N 3.35Å; G131-F135 WeakPolarHBondContact O-CB 3.34Å; G131-F135 PolarHBondContact O-N 3.25Å |
| 132 | L | 92.8 | Very high | 86.9 | Confident | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -59.4 | -50.2 | 173.9 | 167 | 66.2 | 0 | 0 | 0 | 111.1 | L119 R128 R129 I130 L134 F135 L136 L159 F226 A230 F233 | L119-L132 HydrophobicContact CD2-CB 4.37Å; R128-L132 WeakPolarHBondContact O-CB 3.44Å; R128-L132 PolarHBondContact O-N 3Å; R129-L132 WeakPolarHBondContact O-CB 3.15Å; R129-L132 PolarHBondContact O-N 2.81Å; I130-L132 VanDerWaalsContact C-N 3.29Å; I130-L132 PolarHBondContact O-N 3.32Å; L132-L134 PolarHBondContact O-N 2.88Å; L132-F135 PolarHBondContact O-N 2.72Å; L132-L136 HydrophobicContact CD1-CD1 4.08Å; L132-L136 HydrophobicContact CD1-CG 4.28Å; L132-L136 HydrophobicContact CG-CD1 4.32Å; L132-L136 WeakPolarHBondContact O-CG 3.06Å; L132-L136 PolarHBondContact O-N 2.97Å; L132-L159 HydrophobicContact CD1-CB 3.98Å; L132-L159 HydrophobicContact CD1-CD1 3.51Å; L132-L159 HydrophobicContact CD1-CG 4.28Å; L132-F226 HydrophobicContact CD2-CD1 4.27Å; L132-A230 HydrophobicContact CD1-CB 4.24Å; L132-A230 HydrophobicContact CD2-CB 4Å; L132-F233 HydrophobicContact CG-CD2 4.4Å |
| 133 | K | 93.4 | Very high | 86.5 | Confident | 19 Ų | 19 | 12.5 Ų | 12.5 | 8% | 0.083 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -57.2 | -50.1 | 176.7 | -173.9 | -174 | 175.1 | -159 | 0 | 112 | E92 R129 I130 F135 L136 L137 F233 D237 | E92-K133 WeakPolarHBondContact OE1-CE 3.37Å; E92-K133 IonicContact OE1-NZ 3.03Å; E92-K133 PolarHBondContact OE1-NZ 3.45Å; E92-K133 IonicContact OE2-NZ 2.76Å; E92-K133 PolarHBondContact OE2-NZ 3.1Å; R129-K133 PolarHBondContact O-N 3.46Å; I130-K133 WeakPolarHBondContact O-CB 3.3Å; I130-K133 PolarHBondContact O-N 3.31Å; K133-F135 VanDerWaalsContact C-N 3.34Å; K133-F135 PolarHBondContact O-N 3.36Å; K133-L136 PolarHBondContact O-N 3.37Å; K133-L137 PolarHBondContact O-N 3.4Å; K133-L137 VanDerWaalsContact O-N 3.11Å; K133-F233 HydrophobicContact CB-CD1 4.41Å; K133-F233 HydrophobicContact CB-CD2 3.7Å; K133-F233 HydrophobicContact CB-CE1 4.4Å; K133-F233 HydrophobicContact CB-CE2 3.67Å; K133-F233 HydrophobicContact CB-CG 4.11Å; K133-F233 HydrophobicContact CB-CZ 4.05Å; K133-F233 HydrophobicContact CD-CD1 4.2Å; K133-F233 HydrophobicContact CD-CE1 3.99Å; K133-F233 HydrophobicContact CD-CZ 4.26Å; K133-F233 HydrophobicContact CG-CD1 3.97Å; K133-F233 HydrophobicContact CG-CD2 4.09Å; K133-F233 HydrophobicContact CG-CE1 4.16Å; K133-F233 HydrophobicContact CG-CE2 4.26Å; K133-F233 HydrophobicContact CG-CG 3.97Å; K133-F233 HydrophobicContact CG-CZ 4.31Å; K133-D237 WeakPolarHBondContact CE-OD2 3.46Å; K133-D237 WeakPolarHBondContact CG-OD2 3.39Å |
| 134 | L | 93.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65 | -38.9 | -179.9 | -67.7 | 171 | 0 | 0 | 0 | 111.8 | L88 L91 E92 L95 L115 L118 I130 G131 L132 L137 W138 | L88-L134 HydrophobicContact CD2-CD1 3.87Å; L91-L134 HydrophobicContact CD2-CD1 4.04Å; L91-L134 HydrophobicContact CG-CD2 4.34Å; E92-L134 HydrophobicContact CB-CD2 3.7Å; E92-L134 HydrophobicContact CG-CD2 4.32Å; L95-L134 HydrophobicContact CD1-CB 4.41Å; L95-L134 HydrophobicContact CD1-CD2 4.22Å; L95-L134 WeakPolarHBondContact CD1-O 3.43Å; L115-L134 HydrophobicContact CD2-CB 3.71Å; L118-L134 HydrophobicContact CD1-CD1 3.98Å; I130-L134 HydrophobicContact CG2-CD1 3.82Å; I130-L134 HydrophobicContact CG2-CG 4.25Å; I130-L134 VanDerWaalsContact O-CG 3.31Å; I130-L134 WeakPolarHBondContact O-CG 3.21Å; I130-L134 PolarHBondContact O-N 3.26Å; G131-L134 PolarHBondContact O-N 3.35Å; L132-L134 PolarHBondContact O-N 2.88Å; L134-L137 PolarHBondContact O-N 2.94Å; L134-W138 WeakPolarHBondContact O-CB 3.39Å; L134-W138 PolarHBondContact O-N 2.99Å |
| 135 | F | 93.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.8 | -44.4 | 173.8 | 173.4 | -91.2 | 0 | 0 | 0 | 111.2 | L115 L119 G131 L132 K133 L137 W138 Y139 L152 W155 F156 L159 | L115-F135 HydrophobicContact CD1-CB 4.49Å; L115-F135 HydrophobicContact CD1-CD2 4.43Å; L115-F135 HydrophobicContact CD2-CB 4.38Å; L119-F135 HydrophobicContact CD1-CB 4.08Å; L119-F135 HydrophobicContact CD1-CD2 4.19Å; L119-F135 HydrophobicContact CD1-CG 4.23Å; G131-F135 WeakPolarHBondContact O-CB 3.34Å; G131-F135 PolarHBondContact O-N 3.25Å; L132-F135 PolarHBondContact O-N 2.72Å; K133-F135 VanDerWaalsContact C-N 3.34Å; K133-F135 PolarHBondContact O-N 3.36Å; F135-L137 VanDerWaalsContact C-N 3.33Å; F135-L137 PolarHBondContact O-N 3.35Å; F135-W138 HydrophobicContact CD2-CE3 4.09Å; F135-W138 HydrophobicContact CD2-CZ3 4.44Å; F135-W138 HydrophobicContact CE2-CE3 4.33Å; F135-W138 HydrophobicContact CE2-CZ3 4.43Å; F135-W138 PolarHBondContact O-N 3.08Å; F135-Y139 HydrophobicContact CE1-CD2 4.27Å; F135-Y139 HydrophobicContact CE1-CG 4.33Å; F135-Y139 HydrophobicContact CZ-CD2 4.01Å; F135-Y139 HydrophobicContact CZ-CG 4.46Å; F135-Y139 WeakPolarHBondContact O-CB 3.32Å; F135-Y139 PolarHBondContact O-N 3.36Å; F135-L152 HydrophobicContact CE2-CD2 4.38Å; F135-W155 AromaticContact CD2-CE3 3.95Å; F135-W155 HydrophobicContact CD2-CE3 3.95Å; F135-W155 HydrophobicContact CE2-CB 3.69Å; F135-W155 HydrophobicContact CE2-CD2 4.19Å; F135-W155 AromaticContact CE2-CE3 3.72Å; F135-W155 HydrophobicContact CE2-CE3 3.72Å; F135-W155 HydrophobicContact CE2-CG 4.26Å; F135-W155 HydrophobicContact CZ-CB 3.67Å; F135-F156 HydrophobicContact CE1-CB 4.15Å; F135-F156 HydrophobicContact CE1-CD2 4.1Å; F135-F156 HydrophobicContact CZ-CB 4.32Å; F135-L159 HydrophobicContact CD1-CD1 3.43Å; F135-L159 VanDerWaalsContact CD1-CD1 3.43Å; F135-L159 HydrophobicContact CD1-CD2 4.08Å; F135-L159 HydrophobicContact CD1-CG 4.35Å; F135-L159 HydrophobicContact CE1-CD1 3.56Å; F135-L159 HydrophobicContact CE1-CD2 4.27Å; F135-L159 HydrophobicContact CE1-CG 4.35Å; F135-L159 HydrophobicContact CG-CD1 4.43Å; F135-L159 HydrophobicContact CG-CD2 4.38Å |
| 136 | L | 92.6 | Very high | 83.7 | Confident | 3 Ų | 3 | 16.9 Ų | 16.9 | 2% | 0.016 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.9 | -38.4 | 178.3 | -70.6 | 170.6 | 0 | 0 | 0 | 112.2 | L132 K133 Q140 F156 F233 I234 L259 | L132-L136 HydrophobicContact CD1-CD1 4.08Å; L132-L136 HydrophobicContact CD1-CG 4.28Å; L132-L136 HydrophobicContact CG-CD1 4.32Å; L132-L136 WeakPolarHBondContact O-CG 3.06Å; L132-L136 PolarHBondContact O-N 2.97Å; K133-L136 PolarHBondContact O-N 3.37Å; L136-Q140 WeakPolarHBondContact O-CG 3.29Å; L136-Q140 PolarHBondContact O-N 3.19Å; L136-Q140 VanDerWaalsContact O-N 3.15Å; L136-Q140 PolarHBondContact O-NE2 3.22Å; L136-Q140 VanDerWaalsContact O-NE2 3.11Å; L136-F156 HydrophobicContact CD2-CD2 4.17Å; L136-F156 HydrophobicContact CD2-CE2 3.65Å; L136-F233 HydrophobicContact CD1-CB 3.79Å; L136-F233 HydrophobicContact CD1-CD2 4.37Å; L136-I234 HydrophobicContact CD1-CG1 4.11Å; L136-I234 HydrophobicContact CD2-CD1 4.4Å; L136-I234 HydrophobicContact CD2-CG1 4.2Å; L136-L259 HydrophobicContact CD2-CD2 4.22Å |
| 137 | L | 91.7 | Very high | 82.6 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.1 | -43.6 | 173.2 | -69.3 | 172.7 | 0 | 0 | 0 | 111.7 | E92 L95 Q96 K133 L134 F135 Q140 C141 D237 V241 | E92-L137 HydrophobicContact CG-CD1 3.96Å; L95-L137 HydrophobicContact CB-CB 4.09Å; L95-L137 HydrophobicContact CD1-CB 4.07Å; Q96-L137 HydrophobicContact CG-CD1 4.37Å; K133-L137 PolarHBondContact O-N 3.4Å; K133-L137 VanDerWaalsContact O-N 3.11Å; L134-L137 PolarHBondContact O-N 2.94Å; F135-L137 VanDerWaalsContact C-N 3.33Å; F135-L137 PolarHBondContact O-N 3.35Å; L137-Q140 PolarHBondContact O-N 3.4Å; L137-C141 PolarHBondContact O-N 3.4Å; L137-C141 PolarHBondContact O-SG 2.92Å; L137-D237 HydrophobicContact CD2-CB 4.25Å; L137-V241 HydrophobicContact CD2-CG2 3.64Å |
| 138 | W | 91.5 | Very high | 81.4 | Confident | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.1 | -42.9 | 178.5 | -173.8 | 56.2 | 0 | 0 | 0 | 112.5 | L95 Y108 I111 L115 L134 F135 Q140 C141 L142 L152 | L95-W138 HydrophobicContact CD1-CB 4.14Å; L95-W138 HydrophobicContact CD2-CB 4Å; L95-W138 HydrophobicContact CD2-CG 4.22Å; Y108-W138 HydrophobicContact CD2-CH2 4.06Å; Y108-W138 AromaticContact CD2-CZ2 3.41Å; Y108-W138 HydrophobicContact CD2-CZ2 3.41Å; Y108-W138 VanDerWaalsContact CD2-CZ2 3.41Å; Y108-W138 AromaticContact CE2-CH2 3.61Å; Y108-W138 HydrophobicContact CE2-CH2 3.61Å; Y108-W138 AromaticContact CE2-CZ2 3.43Å; Y108-W138 HydrophobicContact CE2-CZ2 3.43Å; Y108-W138 VanDerWaalsContact CE2-CZ2 3.43Å; Y108-W138 HydrophobicContact CG-CZ2 4.13Å; Y108-W138 AromaticContact CZ-CH2 3.98Å; I111-W138 HydrophobicContact CG2-CD2 4.11Å; I111-W138 HydrophobicContact CG2-CG 4.05Å; I111-W138 HydrophobicContact CG2-CZ2 4.39Å; L115-W138 HydrophobicContact CD1-CB 4.14Å; L115-W138 HydrophobicContact CD1-CD2 3.62Å; L115-W138 HydrophobicContact CD1-CE3 3.27Å; L115-W138 HydrophobicContact CD1-CG 4.04Å; L115-W138 HydrophobicContact CD1-CZ3 3.83Å; L134-W138 WeakPolarHBondContact O-CB 3.39Å; L134-W138 PolarHBondContact O-N 2.99Å; F135-W138 HydrophobicContact CD2-CE3 4.09Å; F135-W138 HydrophobicContact CD2-CZ3 4.44Å; F135-W138 HydrophobicContact CE2-CE3 4.33Å; F135-W138 HydrophobicContact CE2-CZ3 4.43Å; F135-W138 PolarHBondContact O-N 3.08Å; W138-Q140 VanDerWaalsContact C-N 3.35Å; W138-Q140 PolarHBondContact O-N 2.95Å; W138-C141 WeakPolarHBondContact O-CB 3.43Å; W138-C141 PolarHBondContact O-N 3.42Å; W138-L142 HydrophobicContact CD2-CD1 3.57Å; W138-L142 HydrophobicContact CE3-CD1 4.09Å; W138-L142 HydrophobicContact CG-CD1 4.01Å; W138-L142 HydrophobicContact CH2-CD1 4.11Å; W138-L142 HydrophobicContact CZ2-CD1 3.58Å; W138-L142 HydrophobicContact CZ3-CD1 4.35Å; W138-L142 WeakPolarHBondContact O-CG 3.31Å; W138-L142 PolarHBondContact O-N 2.79Å; W138-L152 HydrophobicContact CE3-CD2 4.23Å; W138-L152 HydrophobicContact CH2-CD2 3.87Å; W138-L152 HydrophobicContact CZ3-CD2 3.46Å; W138-L152 VanDerWaalsContact CZ3-CD2 3.46Å |
| 139 | Y | 90 | Very high | 80.2 | Confident | 14 Ų | 14 | 26.2 Ų | 26.2 | 6% | 0.055 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.4 | -43.6 | 176.9 | -178.7 | -99.1 | 0 | 0 | 0 | 111.4 | F135 C141 L142 G143 L152 D153 F156 L259 S262 | F135-Y139 HydrophobicContact CE1-CD2 4.27Å; F135-Y139 HydrophobicContact CE1-CG 4.33Å; F135-Y139 HydrophobicContact CZ-CD2 4.01Å; F135-Y139 HydrophobicContact CZ-CG 4.46Å; F135-Y139 WeakPolarHBondContact O-CB 3.32Å; F135-Y139 PolarHBondContact O-N 3.36Å; Y139-C141 VanDerWaalsContact C-N 3.34Å; Y139-C141 PolarHBondContact O-N 3.23Å; Y139-L142 PolarHBondContact O-N 3.4Å; Y139-G143 PolarHBondContact O-N 3.07Å; Y139-L152 HydrophobicContact CD2-CB 3.87Å; Y139-L152 HydrophobicContact CE2-CB 3.95Å; Y139-D153 WeakPolarHBondContact CE2-OD1 3.42Å; Y139-D153 PolarHBondContact OH-OD1 2.66Å; Y139-F156 HydrophobicContact CD1-CD2 4.23Å; Y139-F156 HydrophobicContact CE1-CD2 4.06Å; Y139-F156 HydrophobicContact CE1-CE2 4.39Å; Y139-F156 HydrophobicContact CE2-CB 4.32Å; Y139-L259 HydrophobicContact CD1-CD2 3.69Å; Y139-L259 HydrophobicContact CE1-CD2 4.04Å; Y139-S262 PolarHBondContact OH-OG 3.18Å |
| 140 | Q | 88.3 | Confident | 79.4 | Confident | 7 Ų | 7 | 29.4 Ų | 29.4 | 3% | 0.033 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61 | -40.4 | 175.1 | -73.1 | 171.1 | 58.1 | 0 | 0 | 112.9 | L136 L137 W138 L142 C255 L259 | L136-Q140 WeakPolarHBondContact O-CG 3.29Å; L136-Q140 PolarHBondContact O-N 3.19Å; L136-Q140 VanDerWaalsContact O-N 3.15Å; L136-Q140 PolarHBondContact O-NE2 3.22Å; L136-Q140 VanDerWaalsContact O-NE2 3.11Å; L137-Q140 PolarHBondContact O-N 3.4Å; W138-Q140 VanDerWaalsContact C-N 3.35Å; W138-Q140 PolarHBondContact O-N 2.95Å; Q140-L142 VanDerWaalsContact C-N 3.34Å; Q140-C255 HydrophobicContact CB-CB 4.45Å; Q140-C255 HydrophobicContact CG-CB 4.35Å; Q140-L259 HydrophobicContact CG-CD1 3.49Å; Q140-L259 VanDerWaalsContact CG-CD1 3.49Å; Q140-L259 HydrophobicContact CG-CD2 3.93Å; Q140-L259 HydrophobicContact CG-CG 3.81Å; Q140-L259 VanDerWaalsContact NE2-CD1 3.26Å |
| 141 | C | 86.8 | Confident | 78.7 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.6 | -38.1 | 178.4 | -62.4 | 0 | 0 | 0 | 0 | 111.5 | V102 S103 L137 W138 Y139 | V102-C141 HydrophobicContact CB-CB 3.94Å; V102-C141 HydrophobicContact CG1-CB 3.53Å; S103-C141 VanDerWaalsContact CA-O 3.27Å; S103-C141 WeakPolarHBondContact CA-O 3.4Å; S103-C141 WeakPolarHBondContact CB-O 3.37Å; L137-C141 PolarHBondContact O-N 3.4Å; L137-C141 PolarHBondContact O-SG 2.92Å; W138-C141 WeakPolarHBondContact O-CB 3.43Å; W138-C141 PolarHBondContact O-N 3.42Å; Y139-C141 VanDerWaalsContact C-N 3.34Å; Y139-C141 PolarHBondContact O-N 3.23Å |
| 142 | L | 84 | Confident | 78.3 | Confident | 10 Ų | 10 | 34.4 Ų | 34.4 | 5% | 0.052 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -84.6 | -32.7 | -174.4 | -71.8 | 169.9 | 0 | 0 | 0 | 114.6 | V102 R105 Y108 W138 Y139 Q140 Q144 G145 L152 | V102-L142 HydrophobicContact CG1-CG 4.44Å; V102-L142 WeakPolarHBondContact O-CD2 3.39Å; R105-L142 HydrophobicContact CG-CD2 4.09Å; Y108-L142 HydrophobicContact CD2-CD1 3.87Å; Y108-L142 HydrophobicContact CD2-CD2 4Å; Y108-L142 HydrophobicContact CE2-CD1 3.68Å; Y108-L142 HydrophobicContact CE2-CD2 4.33Å; W138-L142 HydrophobicContact CD2-CD1 3.57Å; W138-L142 HydrophobicContact CE3-CD1 4.09Å; W138-L142 HydrophobicContact CG-CD1 4.01Å; W138-L142 HydrophobicContact CH2-CD1 4.11Å; W138-L142 HydrophobicContact CZ2-CD1 3.58Å; W138-L142 HydrophobicContact CZ3-CD1 4.35Å; W138-L142 WeakPolarHBondContact O-CG 3.31Å; W138-L142 PolarHBondContact O-N 2.79Å; Y139-L142 PolarHBondContact O-N 3.4Å; Q140-L142 VanDerWaalsContact C-N 3.34Å; L142-Q144 PolarHBondContact O-N 3.29Å; L142-G145 PolarHBondContact O-N 2.8Å; L142-L152 HydrophobicContact CB-CD1 3.94Å; L142-L152 HydrophobicContact CD1-CD1 3.65Å; L142-L152 HydrophobicContact CG-CD1 4.46Å |
| 143 | G | 69.6 | Low | 77.8 | Confident | 40 Ų | 40 | 36.3 Ų | 36.3 | 41% | 0.412 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -15.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y139 | Y139-G143 PolarHBondContact O-N 3.07Š|
| 144 | Q | 63.2 | Low | 77.2 | Confident | 94 Ų | 94 | 38.1 Ų | 38.1 | 44% | 0.439 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -3.2 | 177.5 | -64.6 | -67.9 | -38.4 | 0 | 0 | 113.7 | L142 | L142-Q144 PolarHBondContact O-N 3.29Š|
| 145 | G | 59.4 | Low | 76.8 | Confident | 17 Ų | 17 | 38.4 Ų | 38.4 | 18% | 0.175 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -79.7 | 159.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L142 Y147 | L142-G145 PolarHBondContact O-N 2.8Å; G145-Y147 PolarHBondContact O-N 3.49Å; G145-Y147 VanDerWaalsContact O-N 3.09Å |
| 146 | P | 53.1 | Low | 76.6 | Confident | 109 Ų | 109 | 38.5 Ų | 38.5 | 71% | 0.708 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -66.8 | -11 | -179.6 | 26.5 | -33.6 | 0 | 0 | 0 | 114.2 | ||
| 147 | Y | 55.6 | Low | 76.2 | Confident | 142 Ų | 142 | 39.8 Ų | 39.8 | 56% | 0.557 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -105.2 | 91.8 | -177.8 | -50.3 | -80.1 | 0 | 0 | 0 | 108.8 | R105 G145 | R105-Y147 PolarHBondContact NH2-O 3.07Å; R105-Y147 VanDerWaalsContact NH2-O 3.07Å; G145-Y147 PolarHBondContact O-N 3.49Å; G145-Y147 VanDerWaalsContact O-N 3.09Å |
| 148 | G | 56.7 | Low | 76 | Confident | 63 Ų | 63 | 40.3 Ų | 40.3 | 65% | 0.649 | 25% | 0.249 | S | C | * | . | trans | -43.7 | 156 | -169.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | A150 | G148-A150 PolarHBondContact O-N 3.32Š| ||
| 149 | A | 64.3 | Low | 76 | Confident | 22 Ų | 22 | 40.4 Ų | 40.4 | 18% | 0.182 | 25% | 0.25 | C | C | . | . | trans | -84.8 | 6.3 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | E151 L152 D153 | A149-E151 VanDerWaalsContact C-N 3.28Å; A149-E151 PolarHBondContact O-N 3.44Å; A149-L152 CarbonylContact O-C 3.58Å; A149-L152 WeakPolarHBondContact O-CA 3.33Å; A149-L152 WeakPolarHBondContact O-CB 3.45Å; A149-L152 PolarHBondContact O-N 2.92Å; A149-D153 PolarHBondContact O-N 3.47Å | ||
| 150 | A | 69.1 | Low | 76 | Confident | 72 Ų | 72 | 39.7 Ų | 39.7 | 60% | 0.595 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -52 | -39.8 | -167.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | G148 D153 V154 | G148-A150 PolarHBondContact O-N 3.32Å; A150-D153 PolarHBondContact O-N 3.38Å; A150-V154 PolarHBondContact O-N 3.12Å |
| 151 | E | 73.2 | Confident | 75.9 | Confident | 100 Ų | 100 | 39.5 Ų | 39.5 | 47% | 0.467 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.6 | -40.5 | 175.1 | -173.7 | -176.2 | 168.5 | 0 | 0 | 112.2 | A149 D153 V154 W155 | A149-E151 VanDerWaalsContact C-N 3.28Å; A149-E151 PolarHBondContact O-N 3.44Å; E151-D153 VanDerWaalsContact C-N 3.32Å; E151-V154 WeakPolarHBondContact O-CB 3.32Å; E151-V154 PolarHBondContact O-N 3.44Å; E151-W155 PolarHBondContact O-N 3.39Å |
| 152 | L | 82.4 | Confident | 75.7 | Confident | 7 Ų | 7 | 40.2 Ų | 40.2 | 4% | 0.037 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -72.6 | -27 | 179.4 | -60.1 | 169.6 | 0 | 0 | 0 | 112 | F135 W138 Y139 L142 A149 V154 W155 F156 | F135-L152 HydrophobicContact CE2-CD2 4.38Å; W138-L152 HydrophobicContact CE3-CD2 4.23Å; W138-L152 HydrophobicContact CH2-CD2 3.87Å; W138-L152 HydrophobicContact CZ3-CD2 3.46Å; W138-L152 VanDerWaalsContact CZ3-CD2 3.46Å; Y139-L152 HydrophobicContact CD2-CB 3.87Å; Y139-L152 HydrophobicContact CE2-CB 3.95Å; L142-L152 HydrophobicContact CB-CD1 3.94Å; L142-L152 HydrophobicContact CD1-CD1 3.65Å; L142-L152 HydrophobicContact CG-CD1 4.46Å; A149-L152 CarbonylContact O-C 3.58Å; A149-L152 WeakPolarHBondContact O-CA 3.33Å; A149-L152 WeakPolarHBondContact O-CB 3.45Å; A149-L152 PolarHBondContact O-N 2.92Å; L152-V154 VanDerWaalsContact C-N 3.26Å; L152-V154 PolarHBondContact O-N 2.88Å; L152-W155 WeakPolarHBondContact O-CB 3.29Å; L152-W155 PolarHBondContact O-N 2.91Å; L152-W155 VanDerWaalsContact O-N 3.13Å; L152-F156 WeakPolarHBondContact O-CB 3.31Å; L152-F156 PolarHBondContact O-N 3.33Å |
| 153 | D | 81.8 | Confident | 75.6 | Confident | 41 Ų | 41 | 40 Ų | 40 | 22% | 0.219 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.6 | -32.8 | 173.2 | -62.7 | -29.9 | 0 | 0 | 0 | 111 | Y139 A149 A150 E151 W155 F156 S157 | Y139-D153 WeakPolarHBondContact CE2-OD1 3.42Å; Y139-D153 PolarHBondContact OH-OD1 2.66Å; A149-D153 PolarHBondContact O-N 3.47Å; A150-D153 PolarHBondContact O-N 3.38Å; E151-D153 VanDerWaalsContact C-N 3.32Å; D153-W155 VanDerWaalsContact C-N 3.34Å; D153-F156 PolarHBondContact O-N 3.21Å; D153-S157 WeakPolarHBondContact O-CB 3.36Å; D153-S157 PolarHBondContact O-N 3.48Å; D153-S157 PolarHBondContact O-OG 2.9Å |
| 154 | V | 80.7 | Confident | 75.9 | Confident | 56 Ų | 56 | 39.6 Ų | 39.6 | 34% | 0.339 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.8 | -37.4 | 170.9 | -175 | 0 | 0 | 0 | 0 | 111.1 | A150 E151 L152 S157 N158 I178 | A150-V154 PolarHBondContact O-N 3.12Å; E151-V154 WeakPolarHBondContact O-CB 3.32Å; E151-V154 PolarHBondContact O-N 3.44Å; L152-V154 VanDerWaalsContact C-N 3.26Å; L152-V154 PolarHBondContact O-N 2.88Å; V154-S157 WeakPolarHBondContact CA-OG 3.35Å; V154-S157 PolarHBondContact O-OG 3.34Å; V154-N158 PolarHBondContact O-ND2 3.34Å; V154-I178 HydrophobicContact CG1-CD1 3.96Å |
| 155 | W | 85.6 | Confident | 76.3 | Confident | 6 Ų | 6 | 35.5 Ų | 35.5 | 2% | 0.023 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.1 | -48.1 | 173.9 | -67.6 | 40.7 | 0 | 0 | 0 | 110.2 | L115 R116 L119 F135 E151 L152 D153 S157 N158 L159 I178 | L115-W155 HydrophobicContact CB-CZ3 4.27Å; R116-W155 HydrophobicContact CG-CH2 3.34Å; R116-W155 HydrophobicContact CG-CZ2 3.96Å; R116-W155 HydrophobicContact CG-CZ3 3.95Å; L119-W155 HydrophobicContact CD1-CE3 4.19Å; L119-W155 HydrophobicContact CD1-CZ3 4.42Å; F135-W155 AromaticContact CD2-CE3 3.95Å; F135-W155 HydrophobicContact CD2-CE3 3.95Å; F135-W155 HydrophobicContact CE2-CB 3.69Å; F135-W155 HydrophobicContact CE2-CD2 4.19Å; F135-W155 AromaticContact CE2-CE3 3.72Å; F135-W155 HydrophobicContact CE2-CE3 3.72Å; F135-W155 HydrophobicContact CE2-CG 4.26Å; F135-W155 HydrophobicContact CZ-CB 3.67Å; E151-W155 PolarHBondContact O-N 3.39Å; L152-W155 WeakPolarHBondContact O-CB 3.29Å; L152-W155 PolarHBondContact O-N 2.91Å; L152-W155 VanDerWaalsContact O-N 3.13Å; D153-W155 VanDerWaalsContact C-N 3.34Å; W155-S157 VanDerWaalsContact C-N 3.28Å; W155-S157 PolarHBondContact O-N 3.27Å; W155-N158 PolarHBondContact O-N 3.44Å; W155-L159 WeakPolarHBondContact O-CD2 3.19Å; W155-L159 VanDerWaalsContact O-CG 3.3Å; W155-L159 WeakPolarHBondContact O-CG 3.41Å; W155-L159 PolarHBondContact O-N 3.1Å; W155-I178 HydrophobicContact CD2-CG2 3.67Å; W155-I178 HydrophobicContact CE3-CG2 4.42Å; W155-I178 HydrophobicContact CG-CD1 4.46Å; W155-I178 HydrophobicContact CG-CG2 3.92Å; W155-I178 HydrophobicContact CZ2-CG2 3.8Å |
| 156 | F | 88.4 | Confident | 76.6 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.009 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55.8 | -43.8 | -179.2 | -174 | -81.6 | 0 | 0 | 0 | 111 | F135 L136 Y139 L152 D153 N158 I234 L259 V263 H266 Y267 | F135-F156 HydrophobicContact CE1-CB 4.15Å; F135-F156 HydrophobicContact CE1-CD2 4.1Å; F135-F156 HydrophobicContact CZ-CB 4.32Å; L136-F156 HydrophobicContact CD2-CD2 4.17Å; L136-F156 HydrophobicContact CD2-CE2 3.65Å; Y139-F156 HydrophobicContact CD1-CD2 4.23Å; Y139-F156 HydrophobicContact CE1-CD2 4.06Å; Y139-F156 HydrophobicContact CE1-CE2 4.39Å; Y139-F156 HydrophobicContact CE2-CB 4.32Å; L152-F156 WeakPolarHBondContact O-CB 3.31Å; L152-F156 PolarHBondContact O-N 3.33Å; D153-F156 PolarHBondContact O-N 3.21Å; F156-N158 PolarHBondContact O-N 2.95Å; F156-I234 HydrophobicContact CZ-CD1 4.45Å; F156-L259 HydrophobicContact CE2-CD2 4.3Å; F156-V263 HydrophobicContact CE1-CG2 4.43Å; F156-V263 HydrophobicContact CZ-CG2 3.94Å; F156-H266 HydrophobicContact CD1-CB 4.39Å; F156-H266 AromaticContact CD1-ND1 3.93Å; F156-Y267 AromaticContact CD1-CE2 3.98Å; F156-Y267 HydrophobicContact CD1-CE2 3.98Å; F156-Y267 AromaticContact CE1-CD2 3.91Å; F156-Y267 HydrophobicContact CE1-CD2 3.91Å; F156-Y267 AromaticContact CE1-CE2 3.4Å; F156-Y267 HydrophobicContact CE1-CE2 3.4Å; F156-Y267 VanDerWaalsContact CE1-CE2 3.4Å; F156-Y267 AromaticContact CZ-CE2 3.97Å; F156-Y267 HydrophobicContact CZ-CE2 3.97Å; F156-Y267 PolarHBondContact O-OH 3.02Å |
| 157 | S | 84.7 | Confident | 77.3 | Confident | 30 Ų | 30 | 40.1 Ų | 40.1 | 21% | 0.21 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.6 | -15.8 | 178.8 | 48.2 | 0 | 0 | 0 | 0 | 114.9 | D153 V154 W155 | D153-S157 WeakPolarHBondContact O-CB 3.36Å; D153-S157 PolarHBondContact O-N 3.48Å; D153-S157 PolarHBondContact O-OG 2.9Å; V154-S157 WeakPolarHBondContact CA-OG 3.35Å; V154-S157 PolarHBondContact O-OG 3.34Å; W155-S157 VanDerWaalsContact C-N 3.28Å; W155-S157 PolarHBondContact O-N 3.27Å |
| 158 | N | 87.9 | Confident | 78 | Confident | 13 Ų | 13 | 36 Ų | 36 | 7% | 0.07 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | 13.5 | -173.5 | -68.6 | -75.5 | 0 | 0 | 0 | 114.1 | V154 W155 F156 S171 I174 L175 | V154-N158 PolarHBondContact O-ND2 3.34Å; W155-N158 PolarHBondContact O-N 3.44Å; F156-N158 PolarHBondContact O-N 2.95Å; N158-S171 WeakPolarHBondContact OD1-CA 3.38Å; N158-I174 HydrophobicContact CB-CG2 4.4Å; N158-I174 WeakPolarHBondContact OD1-CD1 3.19Å; N158-L175 HydrophobicContact CB-CB 4.46Å; N158-L175 HydrophobicContact CB-CD1 4.5Å |
| 159 | L | 90.3 | Very high | 78.9 | Confident | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | trans | -72.7 | -28.5 | -179.4 | -58 | 174 | 0 | 0 | 0 | 113.7 | L119 L132 F135 W155 | L119-L159 HydrophobicContact CD1-CD2 3.9Å; L119-L159 HydrophobicContact CD2-CD2 4.1Å; L132-L159 HydrophobicContact CD1-CB 3.98Å; L132-L159 HydrophobicContact CD1-CD1 3.51Å; L132-L159 HydrophobicContact CD1-CG 4.28Å; F135-L159 HydrophobicContact CD1-CD1 3.43Å; F135-L159 VanDerWaalsContact CD1-CD1 3.43Å; F135-L159 HydrophobicContact CD1-CD2 4.08Å; F135-L159 HydrophobicContact CD1-CG 4.35Å; F135-L159 HydrophobicContact CE1-CD1 3.56Å; F135-L159 HydrophobicContact CE1-CD2 4.27Å; F135-L159 HydrophobicContact CE1-CG 4.35Å; F135-L159 HydrophobicContact CG-CD1 4.43Å; F135-L159 HydrophobicContact CG-CD2 4.38Å; W155-L159 WeakPolarHBondContact O-CD2 3.19Å; W155-L159 VanDerWaalsContact O-CG 3.3Å; W155-L159 WeakPolarHBondContact O-CG 3.41Å; W155-L159 PolarHBondContact O-N 3.1Å | ||
| 160 | I | 90 | Very high | 79.6 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -87.8 | 123.3 | -178.3 | -50.9 | -56.3 | 0 | 0 | 0 | 109.6 | I163 S171 T223 F226 M227 A230 Y267 | I160-I163 HydrophobicContact CB-CD1 3.61Å; I160-I163 HydrophobicContact CB-CG1 4.23Å; I160-I163 HydrophobicContact CG1-CD1 4.41Å; I160-I163 HydrophobicContact CG2-CD1 3.57Å; I160-I163 HydrophobicContact CG2-CG1 3.99Å; I160-S171 VanDerWaalsContact O-CB 3.32Å; I160-S171 WeakPolarHBondContact O-CB 3.49Å; I160-S171 PolarHBondContact O-OG 3.22Å; I160-T223 HydrophobicContact CG2-CG2 4.01Å; I160-F226 HydrophobicContact CD1-CB 4.04Å; I160-F226 HydrophobicContact CG2-CB 4.35Å; I160-M227 HydrophobicContact CD1-CB 4.44Å; I160-M227 HydrophobicContact CD1-SD 4.29Å; I160-M227 HydrophobicContact CG1-SD 4.14Å; I160-M227 HydrophobicContact CG2-CB 4.37Å; I160-A230 HydrophobicContact CD1-CB 3.98Å; I160-Y267 HydrophobicContact CB-CE1 4.08Å; I160-Y267 HydrophobicContact CG1-CD1 4.21Å; I160-Y267 HydrophobicContact CG1-CE1 3.46Å; I160-Y267 VanDerWaalsContact CG1-CE1 3.46Å |
| 161 | P | 87.1 | Confident | 80.3 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.013 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | 156.1 | -175.6 | 27.9 | -33.6 | 0 | 0 | 0 | 113.3 | I163 D172 I222 T223 F226 | P161-I163 PolarHBondContact O-N 3.32Å; P161-D172 WeakPolarHBondContact CA-OD2 3.24Å; P161-D172 VanDerWaalsContact CB-OD1 3.31Å; P161-D172 WeakPolarHBondContact CB-OD1 3.42Å; P161-D172 WeakPolarHBondContact CB-OD2 3.4Å; P161-I222 HydrophobicContact CG-CG2 3.8Å; P161-T223 WeakPolarHBondContact O-CG2 3.42Å; P161-T223 PolarHBondContact O-OG1 3.33Å; P161-F226 HydrophobicContact CG-CB 4.21Å; P161-F226 HydrophobicContact CG-CD1 4.44Å; P161-F226 HydrophobicContact CG-CD2 3.83Å; P161-F226 HydrophobicContact CG-CE2 4.23Å; P161-F226 HydrophobicContact CG-CG 3.92Å |
| 162 | N | 83.4 | Confident | 80.7 | Confident | 16 Ų | 16 | 32.7 Ų | 32.7 | 9% | 0.086 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63 | 6.4 | 178.7 | -44.3 | -69.4 | 0 | 0 | 0 | 117 | S171 D172 K219 T223 Y314 | N162-S171 PolarHBondContact N-OG 3.37Å; N162-D172 PolarHBondContact N-OD2 3.24Å; N162-K219 PolarHBondContact ND2-O 3.49Å; N162-T223 WeakPolarHBondContact CB-OG1 3.15Å; N162-T223 PolarHBondContact ND2-OG1 2.93Å; N162-Y314 HydrophobicContact CB-CD1 4.2Å; N162-Y314 HydrophobicContact CB-CD2 3.96Å; N162-Y314 HydrophobicContact CB-CE1 4.33Å; N162-Y314 HydrophobicContact CB-CE2 4.1Å; N162-Y314 HydrophobicContact CB-CG 4.04Å; N162-Y314 WeakPolarHBondContact O-CD2 3.34Å |
| 163 | I | 81 | Confident | 80.6 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | trans | -81.7 | 128.4 | 176.1 | -52.1 | -173.6 | 0 | 0 | 0 | 109.2 | I160 P161 M170 S171 T223 Y267 L270 C318 | I160-I163 HydrophobicContact CB-CD1 3.61Å; I160-I163 HydrophobicContact CB-CG1 4.23Å; I160-I163 HydrophobicContact CG1-CD1 4.41Å; I160-I163 HydrophobicContact CG2-CD1 3.57Å; I160-I163 HydrophobicContact CG2-CG1 3.99Å; P161-I163 PolarHBondContact O-N 3.32Å; I163-M170 CarbonylContact O-C 3.39Å; I163-S171 PolarHBondContact N-OG 3.45Å; I163-S171 WeakPolarHBondContact O-CB 3.42Å; I163-S171 PolarHBondContact O-N 3.25Å; I163-S171 PolarHBondContact O-OG 3.06Å; I163-T223 HydrophobicContact CG1-CG2 4.35Å; I163-Y267 HydrophobicContact CD1-CD1 4.34Å; I163-L270 HydrophobicContact CG2-CD2 3.42Å; I163-L270 VanDerWaalsContact CG2-CD2 3.42Å; I163-L270 HydrophobicContact CG2-CG 4.08Å; I163-C318 VanDerWaalsContact CD1-SG 3.55Å | ||
| 164 | V | 77.1 | Confident | 80.6 | Confident | 33 Ų | 33 | 34.2 Ų | 34.2 | 20% | 0.2 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -85.8 | 115.9 | 174.4 | -176.8 | 0 | 0 | 0 | 0 | 109.5 | G168 H169 M170 L270 R315 | V164-G168 WeakPolarHBondContact CG1-O 3.35Å; V164-H169 WeakPolarHBondContact CA-O 3.38Å; V164-M170 HydrophobicContact CG2-CG 3.91Å; V164-L270 WeakPolarHBondContact O-CD1 3.38Å; V164-R315 PolarHBondContact O-NH2 3.42Å |
| 165 | G | 70.2 | Confident | 80.8 | Confident | 7 Ų | 7 | 31.6 Ų | 31.6 | 7% | 0.072 | 19% | 0.188 | C | C | . | . | trans | -65.4 | 173.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D167 G168 H169 | G165-D167 PolarHBondContact O-N 3.12Å; G165-D167 VanDerWaalsContact O-N 3.16Å; G165-G168 PolarHBondContact O-N 3.37Å; G165-G168 VanDerWaalsContact O-N 3.09Å; G165-H169 PolarHBondContact N-O 2.93Å | ||
| 166 | P | 67.2 | Low | 80.7 | Confident | 117 Ų | 117 | 34.1 Ų | 34.1 | 76% | 0.76 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -30.2 | 178 | -18.3 | 29.8 | 0 | 0 | 0 | 112.7 | G168 L270 | P166-G168 PolarHBondContact O-N 3.43Å; P166-L270 HydrophobicContact CG-CD1 4.16Å |
| 167 | D | 67.5 | Low | 80.3 | Confident | 107 Ų | 107 | 38 Ų | 38 | 57% | 0.572 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -2.6 | -175.8 | -41 | -21.2 | 0 | 0 | 0 | 112.4 | G165 H169 | G165-D167 PolarHBondContact O-N 3.12Å; G165-D167 VanDerWaalsContact O-N 3.16Å; D167-H169 VanDerWaalsContact C-N 3.28Å; D167-H169 PolarHBondContact O-N 2.92Å |
| 168 | G | 69.8 | Low | 80.1 | Confident | 54 Ų | 54 | 37.1 Ų | 37.1 | 56% | 0.557 | 21% | 0.211 | S | C | * | . | S | Bend | trans | 83.3 | -3.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | V164 G165 P166 | V164-G168 WeakPolarHBondContact CG1-O 3.35Å; G165-G168 PolarHBondContact O-N 3.37Å; G165-G168 VanDerWaalsContact O-N 3.09Å; P166-G168 PolarHBondContact O-N 3.43Å |
| 169 | H | 75.6 | Confident | 80 | Confident | 85 Ų | 85 | 36.5 Ų | 36.5 | 39% | 0.394 | 21% | 0.208 | S | C | . | . | trans | -87 | 142.8 | 176.7 | -64.5 | -65.9 | 0 | 0 | 0 | 111.9 | V164 G165 D167 I174 | V164-H169 WeakPolarHBondContact CA-O 3.38Å; G165-H169 PolarHBondContact N-O 2.93Å; D167-H169 VanDerWaalsContact C-N 3.28Å; D167-H169 PolarHBondContact O-N 2.92Å; H169-I174 HydrophobicContact CB-CD1 3.96Å; H169-I174 HydrophobicContact CB-CG1 4.03Å | ||
| 170 | M | 78 | Confident | 79.5 | Confident | 75 Ų | 75 | 39 Ų | 39 | 37% | 0.369 | 22% | 0.219 | S | C | . | . | B | Isolated β-bridge | trans | -70.9 | 140.5 | 171.4 | -76.9 | -172.9 | -74.8 | 0 | 0 | 110.6 | I163 V164 D172 I173 I174 | I163-M170 CarbonylContact O-C 3.39Å; V164-M170 HydrophobicContact CG2-CG 3.91Å; M170-D172 PolarHBondContact O-N 2.87Å; M170-I173 HydrophobicContact CB-CD1 4.19Å; M170-I173 HydrophobicContact CB-CG1 4.26Å; M170-I173 HydrophobicContact CE-CD1 4.15Å; M170-I173 WeakPolarHBondContact O-CB 3.24Å; M170-I173 PolarHBondContact O-N 2.84Å; M170-I174 PolarHBondContact O-N 2.8Å |
| 171 | S | 83.6 | Confident | 78.7 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.014 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -54.4 | -37.1 | 179.2 | 56 | 0 | 0 | 0 | 0 | 113.1 | N158 I160 N162 I163 I173 I174 L175 | N158-S171 WeakPolarHBondContact OD1-CA 3.38Å; I160-S171 VanDerWaalsContact O-CB 3.32Å; I160-S171 WeakPolarHBondContact O-CB 3.49Å; I160-S171 PolarHBondContact O-OG 3.22Å; N162-S171 PolarHBondContact N-OG 3.37Å; I163-S171 PolarHBondContact N-OG 3.45Å; I163-S171 WeakPolarHBondContact O-CB 3.42Å; I163-S171 PolarHBondContact O-N 3.25Å; I163-S171 PolarHBondContact O-OG 3.06Å; S171-I173 VanDerWaalsContact C-N 3.3Å; S171-I173 PolarHBondContact O-N 3.27Å; S171-I174 PolarHBondContact O-N 3.03Å; S171-L175 WeakPolarHBondContact O-CB 3.43Å; S171-L175 PolarHBondContact O-N 3.32Å |
| 172 | D | 82.8 | Confident | 77.6 | Confident | 26 Ų | 26 | 44.5 Ų | 44.5 | 14% | 0.139 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.3 | -34.8 | 176.4 | -68.4 | -66.3 | 0 | 0 | 0 | 112.4 | P121 R128 P161 N162 M170 Q176 | P121-D172 HydrophobicContact CB-CB 4.28Å; P121-D172 HydrophobicContact CG-CB 4.3Å; P121-D172 WeakPolarHBondContact CG-O 3.38Å; R128-D172 IonicContact CZ-OD1 3.34Å; R128-D172 IonicContact NH1-OD1 3.69Å; R128-D172 PolarHBondContact NH1-OD1 2.95Å; R128-D172 IonicContact NH2-OD1 2.85Å; R128-D172 PolarHBondContact NH2-OD1 3.37Å; P161-D172 WeakPolarHBondContact CA-OD2 3.24Å; P161-D172 VanDerWaalsContact CB-OD1 3.31Å; P161-D172 WeakPolarHBondContact CB-OD1 3.42Å; P161-D172 WeakPolarHBondContact CB-OD2 3.4Å; N162-D172 PolarHBondContact N-OD2 3.24Å; M170-D172 PolarHBondContact O-N 2.87Å; D172-Q176 VanDerWaalsContact O-CB 3.28Å; D172-Q176 WeakPolarHBondContact O-CB 3.4Å; D172-Q176 PolarHBondContact O-N 3.34Å |
| 173 | I | 79.8 | Confident | 76.7 | Confident | 70 Ų | 70 | 47 Ų | 47 | 36% | 0.359 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68.8 | -47.5 | 177.9 | -60 | 173.6 | 0 | 0 | 0 | 109.5 | M170 S171 L175 Q176 E177 | M170-I173 HydrophobicContact CB-CD1 4.19Å; M170-I173 HydrophobicContact CB-CG1 4.26Å; M170-I173 HydrophobicContact CE-CD1 4.15Å; M170-I173 WeakPolarHBondContact O-CB 3.24Å; M170-I173 PolarHBondContact O-N 2.84Å; S171-I173 VanDerWaalsContact C-N 3.3Å; S171-I173 PolarHBondContact O-N 3.27Å; I173-L175 VanDerWaalsContact C-N 3.34Å; I173-L175 PolarHBondContact O-N 2.9Å; I173-Q176 WeakPolarHBondContact O-CB 3.17Å; I173-Q176 PolarHBondContact O-N 2.9Å; I173-E177 PolarHBondContact O-N 3.31Å |
| 174 | I | 81.6 | Confident | 75.2 | Confident | 11 Ų | 11 | 56 Ų | 56 | 6% | 0.056 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 178.4 | -61.5 | 168.8 | 0 | 0 | 0 | 110.2 | N158 H169 M170 S171 Q176 E177 I178 | N158-I174 HydrophobicContact CB-CG2 4.4Å; N158-I174 WeakPolarHBondContact OD1-CD1 3.19Å; H169-I174 HydrophobicContact CB-CD1 3.96Å; H169-I174 HydrophobicContact CB-CG1 4.03Å; M170-I174 PolarHBondContact O-N 2.8Å; S171-I174 PolarHBondContact O-N 3.03Å; I174-Q176 VanDerWaalsContact C-N 3.29Å; I174-Q176 PolarHBondContact O-N 3.39Å; I174-E177 PolarHBondContact O-N 3.46Å; I174-I178 HydrophobicContact CG2-CD1 3.9Å; I174-I178 HydrophobicContact CG2-CG1 4.4Å; I174-I178 VanDerWaalsContact O-CG1 3.25Å; I174-I178 WeakPolarHBondContact O-CG1 3.41Å; I174-I178 PolarHBondContact O-N 3.5Å |
| 175 | L | 86 | Confident | 73.9 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.7 | -35.5 | 178.1 | -165.9 | 70 | 0 | 0 | 0 | 111.5 | L119 P121 N158 S171 I173 I178 C179 | L119-L175 WeakPolarHBondContact O-CD2 3.38Å; P121-L175 HydrophobicContact CG-CB 4.32Å; P121-L175 HydrophobicContact CG-CD2 4.49Å; N158-L175 HydrophobicContact CB-CB 4.46Å; N158-L175 HydrophobicContact CB-CD1 4.5Å; S171-L175 WeakPolarHBondContact O-CB 3.43Å; S171-L175 PolarHBondContact O-N 3.32Å; I173-L175 VanDerWaalsContact C-N 3.34Å; I173-L175 PolarHBondContact O-N 2.9Å; L175-I178 PolarHBondContact O-N 3.35Å; L175-C179 WeakPolarHBondContact O-CB 3.46Å; L175-C179 PolarHBondContact O-N 2.78Å; L175-C179 PolarHBondContact O-SG 2.89Å |
| 176 | Q | 83.3 | Confident | 72.9 | Confident | 59 Ų | 59 | 65.4 Ų | 65.4 | 28% | 0.276 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.2 | -49.1 | 171.9 | -169.7 | 173.5 | -11.5 | 0 | 0 | 110.9 | P121 D172 I173 I174 I178 C179 E180 | P121-Q176 HydrophobicContact CG-CB 3.98Å; D172-Q176 VanDerWaalsContact O-CB 3.28Å; D172-Q176 WeakPolarHBondContact O-CB 3.4Å; D172-Q176 PolarHBondContact O-N 3.34Å; I173-Q176 WeakPolarHBondContact O-CB 3.17Å; I173-Q176 PolarHBondContact O-N 2.9Å; I174-Q176 VanDerWaalsContact C-N 3.29Å; I174-Q176 PolarHBondContact O-N 3.39Å; Q176-I178 PolarHBondContact O-N 3.28Å; Q176-C179 PolarHBondContact O-N 2.93Å; Q176-C179 VanDerWaalsContact O-N 3.09Å; Q176-E180 HydrophobicContact CG-CG 4.17Å; Q176-E180 WeakPolarHBondContact CG-OE1 3.48Å; Q176-E180 PolarHBondContact NE2-OE1 2.9Å; Q176-E180 WeakPolarHBondContact O-CB 3.27Å; Q176-E180 WeakPolarHBondContact O-CG 3.45Å; Q176-E180 PolarHBondContact O-N 3.37Å |
| 177 | E | 79.9 | Confident | 71.6 | Confident | 84 Ų | 84 | 64.9 Ų | 64.9 | 39% | 0.393 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.2 | -43.4 | 177.6 | -71.9 | -176.9 | 175.2 | 0 | 0 | 112.2 | I173 I174 C179 E180 H181 | I173-E177 PolarHBondContact O-N 3.31Å; I174-E177 PolarHBondContact O-N 3.46Å; E177-C179 PolarHBondContact O-N 3.44Å; E177-E180 PolarHBondContact O-N 3.17Å; E177-H181 WeakPolarHBondContact O-CB 3.37Å; E177-H181 PolarHBondContact O-N 3.4Å |
| 178 | I | 81.1 | Confident | 70.2 | Confident | 10 Ų | 10 | 65 Ų | 65 | 5% | 0.051 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.6 | -39.2 | 174.9 | -72.1 | 168.3 | 0 | 0 | 0 | 111.5 | R116 V154 W155 I174 L175 Q176 V186 | R116-I178 WeakPolarHBondContact CD-O 3.29Å; R116-I178 PolarHBondContact NE-O 2.95Å; V154-I178 HydrophobicContact CG1-CD1 3.96Å; W155-I178 HydrophobicContact CD2-CG2 3.67Å; W155-I178 HydrophobicContact CE3-CG2 4.42Å; W155-I178 HydrophobicContact CG-CD1 4.46Å; W155-I178 HydrophobicContact CG-CG2 3.92Å; W155-I178 HydrophobicContact CZ2-CG2 3.8Å; I174-I178 HydrophobicContact CG2-CD1 3.9Å; I174-I178 HydrophobicContact CG2-CG1 4.4Å; I174-I178 VanDerWaalsContact O-CG1 3.25Å; I174-I178 WeakPolarHBondContact O-CG1 3.41Å; I174-I178 PolarHBondContact O-N 3.5Å; L175-I178 PolarHBondContact O-N 3.35Å; Q176-I178 PolarHBondContact O-N 3.28Å; I178-V186 HydrophobicContact CG1-CG2 4.48Å |
| 179 | C | 84.3 | Confident | 68.4 | Low | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.007 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -76.9 | -45.3 | -178.8 | -66.6 | 0 | 0 | 0 | 0 | 111.9 | R116 H120 L175 Q176 E177 V204 | R116-C179 HydrophobicContact CB-CB 4.19Å; R116-C179 PolarHBondContact O-SG 2.87Å; H120-C179 HydrophobicContact CB-CB 4.41Å; L175-C179 WeakPolarHBondContact O-CB 3.46Å; L175-C179 PolarHBondContact O-N 2.78Å; L175-C179 PolarHBondContact O-SG 2.89Å; Q176-C179 PolarHBondContact O-N 2.93Å; Q176-C179 VanDerWaalsContact O-N 3.09Å; E177-C179 PolarHBondContact O-N 3.44Å; C179-V204 VanDerWaalsContact O-CB 3.25Å; C179-V204 WeakPolarHBondContact O-CB 3.05Å; C179-V204 VanDerWaalsContact O-CG2 3.28Å; C179-V204 WeakPolarHBondContact O-CG2 3.18Å |
| 180 | E | 79.5 | Confident | 66.3 | Low | 56 Ų | 56 | 70.2 Ų | 70.2 | 26% | 0.262 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -79.4 | -29.3 | -173.9 | -69.2 | -177.5 | 179.9 | 0 | 0 | 113.4 | H120 Q176 E177 P182 | H120-E180 IonicContact CE1-OE1 3.79Å; H120-E180 IonicContact NE2-OE1 2.74Å; H120-E180 PolarHBondContact NE2-OE1 2.56Å; Q176-E180 HydrophobicContact CG-CG 4.17Å; Q176-E180 WeakPolarHBondContact CG-OE1 3.48Å; Q176-E180 PolarHBondContact NE2-OE1 2.9Å; Q176-E180 WeakPolarHBondContact O-CB 3.27Å; Q176-E180 WeakPolarHBondContact O-CG 3.45Å; Q176-E180 PolarHBondContact O-N 3.37Å; E177-E180 PolarHBondContact O-N 3.17Å; E180-P182 VanDerWaalsContact C-CD 3.43Å; E180-P182 WeakPolarHBondContact O-CD 3.32Å |
| 181 | H | 74 | Confident | 64 | Low | 94 Ų | 94 | 71.7 Ų | 71.7 | 44% | 0.435 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -122.3 | 68.7 | -176.2 | -59.5 | -48 | 0 | 0 | 0 | 114.2 | E177 G183 Y184 | E177-H181 WeakPolarHBondContact O-CB 3.37Å; E177-H181 PolarHBondContact O-N 3.4Å; H181-G183 PolarHBondContact O-N 3.09Å; H181-G183 VanDerWaalsContact O-N 3.16Å; H181-Y184 PolarHBondContact O-N 3.05Å |
| 182 | P | 64.8 | Low | 61.6 | Low | 23 Ų | 23 | 77.6 Ų | 77.6 | 15% | 0.149 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 119.5 | 174.2 | -26.4 | 37.5 | 0 | 0 | 0 | 112.6 | E180 S201 V204 | E180-P182 VanDerWaalsContact C-CD 3.43Å; E180-P182 WeakPolarHBondContact O-CD 3.32Å; P182-S201 WeakPolarHBondContact CB-OG 3.48Å; P182-S201 VanDerWaalsContact CD-OG 3.31Å; P182-S201 WeakPolarHBondContact CD-OG 3.32Å; P182-S201 WeakPolarHBondContact CG-OG 3.37Å; P182-V204 HydrophobicContact CG-CG2 4.1Å |
| 183 | G | 63.1 | Low | 59.3 | Low | 69 Ų | 69 | 79.3 Ų | 79.3 | 71% | 0.711 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.5 | -4.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | H181 R185 | H181-G183 PolarHBondContact O-N 3.09Å; H181-G183 VanDerWaalsContact O-N 3.16Å; G183-R185 PolarHBondContact O-N 3.44Å |
| 184 | Y | 50.8 | Low | 56.9 | Low | 192 Ų | 192 | 83.7 Ų | 83.7 | 75% | 0.753 | 48% | 0.479 | S | S | * | . | trans | -73 | 124.1 | 166.9 | -114.6 | -99.9 | 0 | 0 | 0 | 108.9 | H181 V186 | H181-Y184 PolarHBondContact O-N 3.05Å; Y184-V186 VanDerWaalsContact C-N 3.3Å; Y184-V186 PolarHBondContact O-N 3.46Å | ||
| 185 | R | 48.7 | Very low | 54.6 | Low | 184 Ų | 184 | 91.8 Ų | 91.8 | 69% | 0.694 | 52% | 0.516 | S | S | * | . | trans | -63 | 95.7 | 168.6 | -79 | -173.8 | 179.7 | 169.2 | 3.4 | 107.3 | G183 L187 A193 | G183-R185 PolarHBondContact O-N 3.44Å; R185-L187 PolarHBondContact O-N 3.44Å; R185-L187 VanDerWaalsContact O-N 3.16Å; R185-A193 PolarHBondContact NH1-O 3.07Å | ||
| 186 | V | 49.3 | Very low | 51.9 | Low | 54 Ų | 54 | 99.9 Ų | 99.9 | 33% | 0.327 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -52.5 | 119.6 | 172.2 | 177.5 | 0 | 0 | 0 | 0 | 107.6 | I178 Y184 | I178-V186 HydrophobicContact CG1-CG2 4.48Å; Y184-V186 VanDerWaalsContact C-N 3.3Å; Y184-V186 PolarHBondContact O-N 3.46Å |
| 187 | L | 39.5 | Very low | 49.3 | Very low | 106 Ų | 106 | 102.3 Ų | 102.3 | 56% | 0.555 | 58% | 0.577 | S | S | * | * | S | Bend | trans | 36.5 | 88.7 | 172.2 | -64.1 | 166 | 0 | 0 | 0 | 115.2 | R185 V189 | R185-L187 PolarHBondContact O-N 3.44Å; R185-L187 VanDerWaalsContact O-N 3.16Å; L187-V189 PolarHBondContact O-N 2.52Å |
| 188 | S | 38.3 | Very low | 46.8 | Very low | 109 Ų | 109 | 105.2 Ų | 105.2 | 76% | 0.762 | 59% | 0.59 | S | S | * | * | trans | -58.1 | 100.7 | 174.8 | 57.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 189 | V | 33.3 | Very low | 44.5 | Very low | 134 Ų | 134 | 113.4 Ų | 113.4 | 81% | 0.812 | 63% | 0.625 | S | S | * | * | trans | -62.6 | 128.6 | 148 | 177 | 0 | 0 | 0 | 0 | 107.2 | L187 S191 | L187-V189 PolarHBondContact O-N 2.52Å; V189-S191 PolarHBondContact O-N 2.9Å | ||
| 190 | S | 29.5 | Very low | 42 | Very low | 115 Ų | 115 | 124 Ų | 124 | 80% | 0.804 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -49.7 | 106 | -170.7 | 52.4 | 0 | 0 | 0 | 0 | 114.2 | ||
| 191 | S | 31.6 | Very low | 40 | Very low | 106 Ų | 106 | 124 Ų | 124 | 74% | 0.741 | 67% | 0.673 | S | S | * | * | trans | -155.5 | 130.7 | 143.1 | 72.8 | 0 | 0 | 0 | 0 | 110.5 | V189 A193 | V189-S191 PolarHBondContact O-N 2.9Å; S191-A193 PolarHBondContact O-N 3.26Å | ||
| 192 | S | 32.2 | Very low | 38.5 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 88% | 0.881 | 69% | 0.693 | S | S | * | * | trans | -72.4 | 109.4 | -179.4 | 51.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 193 | A | 35 | Very low | 37.8 | Very low | 62 Ų | 62 | 135.2 Ų | 135.2 | 51% | 0.512 | 72% | 0.718 | S | S | . | * | trans | -152.9 | 101.5 | 155.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | R185 S191 E195 | R185-A193 PolarHBondContact NH1-O 3.07Å; S191-A193 PolarHBondContact O-N 3.26Å; A193-E195 PolarHBondContact O-N 3.43Å | ||
| 194 | N | 29.6 | Very low | 37.2 | Very low | 162 Ų | 162 | 132.6 Ų | 132.6 | 87% | 0.866 | 69% | 0.688 | S | S | * | * | trans | -80.3 | 103.1 | 176.5 | -76.9 | -10.4 | 0 | 0 | 0 | 109.6 | ||||
| 195 | E | 32.9 | Very low | 37.5 | Very low | 181 Ų | 181 | 129.8 Ų | 129.8 | 85% | 0.846 | 68% | 0.682 | S | S | * | * | trans | -137.5 | 104 | 149.5 | -75.4 | -167 | 160.8 | 0 | 0 | 107.5 | A193 C197 | A193-E195 PolarHBondContact O-N 3.43Å; E195-C197 PolarHBondContact O-N 3.03Å | ||
| 196 | E | 28.5 | Very low | 37.8 | Very low | 170 Ų | 170 | 121.3 Ų | 121.3 | 79% | 0.794 | 65% | 0.651 | S | S | * | * | trans | -75.7 | 107.8 | 178.8 | -71.5 | -177.4 | 167.5 | 0 | 0 | 110 | ||||
| 197 | C | 28.9 | Very low | 38.3 | Very low | 111 Ų | 111 | 118.7 Ų | 118.7 | 75% | 0.75 | 64% | 0.635 | S | S | * | * | trans | -97.4 | 93.1 | 168.7 | -127.9 | 0 | 0 | 0 | 0 | 108.7 | E195 F199 | E195-C197 PolarHBondContact O-N 3.03Å; C197-F199 PolarHBondContact O-N 3.25Å | ||
| 198 | Q | 27.1 | Very low | 38.6 | Very low | 144 Ų | 144 | 116.4 Ų | 116.4 | 67% | 0.673 | 63% | 0.627 | S | S | * | * | trans | -82 | 95.8 | 176.4 | -67.6 | -179.4 | 1.2 | 0 | 0 | 110.5 | ||||
| 199 | F | 32.8 | Very low | 39.2 | Very low | 182 Ų | 182 | 113.3 Ų | 113.3 | 80% | 0.798 | 60% | 0.603 | S | S | * | * | trans | -113.6 | 116.8 | 162.4 | -82.4 | -81.2 | 0 | 0 | 0 | 109.8 | C197 S201 | C197-F199 PolarHBondContact O-N 3.25Å; F199-S201 PolarHBondContact O-N 3.32Å | ||
| 200 | Y | 31.6 | Very low | 39.9 | Very low | 225 Ų | 225 | 109.4 Ų | 109.4 | 88% | 0.882 | 59% | 0.585 | S | S | * | * | trans | -58.3 | 101.2 | 176.2 | -69.6 | -93.9 | 0 | 0 | 0 | 111 | ||||
| 201 | S | 38.4 | Very low | 40.3 | Very low | 55 Ų | 55 | 110 Ų | 110 | 39% | 0.385 | 58% | 0.583 | S | S | . | * | trans | -87.8 | 126.2 | 168.4 | -173.1 | 0 | 0 | 0 | 0 | 110.3 | P182 F199 N203 | P182-S201 WeakPolarHBondContact CB-OG 3.48Å; P182-S201 VanDerWaalsContact CD-OG 3.31Å; P182-S201 WeakPolarHBondContact CD-OG 3.32Å; P182-S201 WeakPolarHBondContact CG-OG 3.37Å; F199-S201 PolarHBondContact O-N 3.32Å; S201-N203 PolarHBondContact O-N 3.05Å | ||
| 202 | R | 41.9 | Very low | 40.7 | Very low | 229 Ų | 229 | 111.2 Ų | 111.2 | 86% | 0.864 | 58% | 0.577 | S | S | * | * | trans | -58.9 | 134.4 | 165 | -81.6 | 178.1 | 171 | 171.2 | -3.2 | 108.3 | V204 | R202-V204 PolarHBondContact O-N 3.09Š| ||
| 203 | N | 49.8 | Very low | 40.9 | Very low | 124 Ų | 124 | 110.9 Ų | 110.9 | 66% | 0.663 | 57% | 0.57 | S | S | * | * | trans | -47.8 | 114.1 | 168.4 | -71.5 | -4.8 | 0 | 0 | 0 | 108.4 | S201 Q205 | S201-N203 PolarHBondContact O-N 3.05Å; N203-Q205 PolarHBondContact O-N 2.62Å | ||
| 204 | V | 50.6 | Low | 41.1 | Very low | 13 Ų | 13 | 117.1 Ų | 117.1 | 8% | 0.079 | 59% | 0.586 | C | S | . | * | trans | -73.2 | 111.8 | 177.7 | -179.4 | 0 | 0 | 0 | 0 | 106.4 | R116 R117 C179 P182 R202 | R116-V204 HydrophobicContact CB-CG1 4.39Å; R117-V204 HydrophobicContact CG-CG1 3.42Å; R117-V204 VanDerWaalsContact CG-CG1 3.42Å; C179-V204 VanDerWaalsContact O-CB 3.25Å; C179-V204 WeakPolarHBondContact O-CB 3.05Å; C179-V204 VanDerWaalsContact O-CG2 3.28Å; C179-V204 WeakPolarHBondContact O-CG2 3.18Å; P182-V204 HydrophobicContact CG-CG2 4.1Å; R202-V204 PolarHBondContact O-N 3.09Å | ||
| 205 | Q | 58 | Low | 41.8 | Very low | 134 Ų | 134 | 121.2 Ų | 121.2 | 63% | 0.626 | 59% | 0.589 | S | S | * | * | trans | -76.6 | 134 | 173.1 | -72.6 | 179.1 | -13.3 | 0 | 0 | 109.2 | Y73 N203 | Y73-Q205 WeakPolarHBondContact OH-CB 3.21Å; Y73-Q205 PolarHBondContact OH-O 3.04Å; N203-Q205 PolarHBondContact O-N 2.62Å | ||
| 206 | A | 56 | Low | 42.4 | Very low | 5 Ų | 5 | 120.7 Ų | 120.7 | 4% | 0.041 | 59% | 0.59 | C | S | . | * | trans | -53.8 | 154.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y73 H120 Q122 P208 | Y73-A206 WeakPolarHBondContact CE1-O 3.34Å; Y73-A206 PolarHBondContact OH-O 3.39Å; H120-A206 HydrophobicContact CB-CB 4.25Å; H120-A206 WeakPolarHBondContact ND1-CB 3.5Å; Q122-A206 HydrophobicContact CB-CB 3.68Å; A206-P208 WeakPolarHBondContact O-CD 3.33Å; A206-P208 WeakPolarHBondContact O-CG 3.4Å | ||
| 207 | L | 57.9 | Low | 43.6 | Very low | 0 Ų | 0 | 113.6 Ų | 113.6 | 0% | 0 | 56% | 0.56 | C | S | . | * | trans | -84.4 | 95.9 | 169.8 | -69.3 | 166.3 | 0 | 0 | 0 | 109.1 | E69 L72 Y73 R117 L118 | E69-L207 HydrophobicContact CG-CD2 4.33Å; L72-L207 HydrophobicContact CB-CD2 4.18Å; L72-L207 HydrophobicContact CD1-CD1 4.07Å; L72-L207 HydrophobicContact CD1-CD2 3.6Å; L72-L207 HydrophobicContact CD1-CG 4.3Å; Y73-L207 HydrophobicContact CE2-CD2 4.26Å; R117-L207 HydrophobicContact CB-CD1 4.26Å; R117-L207 HydrophobicContact CB-CG 4.41Å; L118-L207 HydrophobicContact CD2-CD1 4.29Å | ||
| 208 | P | 47.7 | Very low | 45.7 | Very low | 58 Ų | 58 | 111.1 Ų | 111.1 | 38% | 0.377 | 54% | 0.544 | S | S | . | . | trans | -100.4 | 126.3 | -169.8 | 14.2 | 9 | 0 | 0 | 0 | 110.1 | Y73 A206 | Y73-P208 HydrophobicContact CD1-CG 3.76Å; Y73-P208 HydrophobicContact CE1-CG 3.6Å; A206-P208 WeakPolarHBondContact O-CD 3.33Å; A206-P208 WeakPolarHBondContact O-CG 3.4Å | ||
| 209 | V | 50.7 | Low | 48 | Very low | 44 Ų | 44 | 109.3 Ų | 109.3 | 27% | 0.267 | 53% | 0.534 | S | S | . | . | trans | -134.1 | 140.8 | 175.2 | -160.7 | 0 | 0 | 0 | 0 | 112.6 | L72 L124 | L72-V209 HydrophobicContact CB-CG2 4.46Å; L72-V209 HydrophobicContact CD2-CG2 4.45Å; L72-V209 VanDerWaalsContact O-CG2 3.22Å; L72-V209 WeakPolarHBondContact O-CG2 3.22Å; L124-V209 HydrophobicContact CD1-CB 4.33Å; L124-V209 HydrophobicContact CD1-CG2 4.28Å | ||
| 210 | A | 46.5 | Very low | 50.1 | Low | 52 Ų | 52 | 101.2 Ų | 101.2 | 43% | 0.43 | 50% | 0.501 | S | S | . | . | trans | -24.9 | 119.1 | -176 | 0 | 0 | 0 | 0 | 0 | 119 | Q212 | A210-Q212 PolarHBondContact O-N 3.4Å; A210-Q212 VanDerWaalsContact O-N 3.16Å | ||
| 211 | V | 39.6 | Very low | 52.2 | Low | 128 Ų | 128 | 93.8 Ų | 93.8 | 78% | 0.776 | 48% | 0.475 | S | S | * | . | trans | 18.3 | 82.4 | 142.1 | -168.5 | 0 | 0 | 0 | 0 | 115.2 | T213 | V211-T213 HydrophobicContact CG1-CG2 4.1Å; V211-T213 PolarHBondContact O-N 3.15Å | ||
| 212 | Q | 39.2 | Very low | 54.3 | Low | 130 Ų | 130 | 92.8 Ų | 92.8 | 61% | 0.607 | 47% | 0.465 | S | S | * | . | trans | -81.8 | 90.9 | 160.8 | -91.9 | 174.6 | -20.3 | 0 | 0 | 109.4 | A210 K214 E768 | A210-Q212 PolarHBondContact O-N 3.4Å; A210-Q212 VanDerWaalsContact O-N 3.16Å; Q212-K214 PolarHBondContact O-N 3.26Å; Q212-E768 PolarHBondContact NE2-OE1 3.11Å | ||
| 213 | T | 36.2 | Very low | 56.4 | Low | 119 Ų | 119 | 81.9 Ų | 81.9 | 73% | 0.73 | 42% | 0.424 | S | S | * | . | trans | -75.1 | 96.8 | 156.9 | 41.9 | 0 | 0 | 0 | 0 | 108.9 | V211 | V211-T213 HydrophobicContact CG1-CG2 4.1Å; V211-T213 PolarHBondContact O-N 3.15Å | ||
| 214 | K | 38.5 | Very low | 58 | Low | 194 Ų | 194 | 77.9 Ų | 77.9 | 84% | 0.843 | 40% | 0.401 | S | S | * | . | S | Bend | trans | 173.9 | 127.2 | 144.6 | -97.6 | 162.4 | -176.2 | -173.6 | 0 | 109.4 | Q212 | Q212-K214 PolarHBondContact O-N 3.26Š|
| 215 | R | 44.2 | Very low | 59.6 | Low | 248 Ų | 248 | 77.5 Ų | 77.5 | 94% | 0.936 | 40% | 0.399 | S | S | * | . | trans | 44 | 82.5 | 178.8 | -70.5 | -174.8 | 177.7 | 179.9 | -1.2 | 113.8 | A217 | R215-A217 PolarHBondContact O-N 3.42Š| ||
| 216 | I | 45.8 | Very low | 61.2 | Low | 170 Ų | 170 | 71.2 Ų | 71.2 | 87% | 0.872 | 37% | 0.37 | S | S | * | . | trans | -54.8 | 108.6 | 164.5 | -59.7 | 169 | 0 | 0 | 0 | 106.6 | S218 | I216-S218 PolarHBondContact O-N 2.93Š| ||
| 217 | A | 55.2 | Low | 62.8 | Low | 20 Ų | 20 | 71 Ų | 71 | 17% | 0.165 | 37% | 0.368 | C | S | . | . | trans | -56.8 | 136.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108 | R215 M221 I222 I770 | R215-A217 PolarHBondContact O-N 3.42Å; A217-M221 HydrophobicContact CB-CB 4.28Å; A217-M221 HydrophobicContact CB-SD 4.35Å; A217-I222 HydrophobicContact CB-CG1 4.43Å; A217-I770 HydrophobicContact CB-CD1 3.43Å; A217-I770 VanDerWaalsContact CB-CD1 3.43Å | ||
| 218 | S | 72.2 | Confident | 64.3 | Low | 59 Ų | 59 | 71.2 Ų | 71.2 | 41% | 0.413 | 37% | 0.369 | S | S | . | . | trans | -57.4 | 147.4 | 179.4 | 62.3 | 0 | 0 | 0 | 0 | 109.6 | I216 A220 M221 I222 | I216-S218 PolarHBondContact O-N 2.93Å; S218-A220 PolarHBondContact O-N 3.19Å; S218-A220 VanDerWaalsContact O-N 3.08Å; S218-M221 WeakPolarHBondContact O-CB 3.43Å; S218-M221 PolarHBondContact O-N 3.17Å; S218-M221 WeakPolarHBondContact OG-CG 3.47Å; S218-M221 PolarHBondContact OG-N 2.74Å; S218-I222 PolarHBondContact O-N 3.45Å | ||
| 219 | K | 75.3 | Confident | 66.2 | Low | 106 Ų | 106 | 69 Ų | 69 | 46% | 0.461 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -50 | -37 | 175.2 | -73.9 | -179.7 | 177.4 | -179.9 | 0 | 111.6 | N162 I222 T223 Y314 | N162-K219 PolarHBondContact ND2-O 3.49Å; K219-I222 PolarHBondContact O-N 3.49Å; K219-T223 PolarHBondContact O-N 3.2Å; K219-T223 PolarHBondContact O-OG1 2.99Å; K219-Y314 HydrophobicContact CB-CE1 3.71Å; K219-Y314 WeakPolarHBondContact CB-OH 2.93Å; K219-Y314 WeakPolarHBondContact CD-OH 3.36Å |
| 220 | A | 76.2 | Confident | 68.1 | Low | 13 Ų | 13 | 67.1 Ų | 67.1 | 11% | 0.107 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -54.2 | -49.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S218 I222 T223 Q224 Y314 I317 | S218-A220 PolarHBondContact O-N 3.19Å; S218-A220 VanDerWaalsContact O-N 3.08Å; A220-I222 VanDerWaalsContact C-N 3.3Å; A220-I222 PolarHBondContact O-N 2.94Å; A220-T223 PolarHBondContact O-N 3.45Å; A220-Q224 WeakPolarHBondContact O-CB 3.32Å; A220-Q224 PolarHBondContact O-N 3.21Å; A220-Y314 HydrophobicContact CB-CE1 4.33Å; A220-I317 HydrophobicContact CB-CD1 3.42Å; A220-I317 VanDerWaalsContact CB-CD1 3.42Å |
| 221 | M | 77.3 | Confident | 70.3 | Confident | 69 Ų | 69 | 64.7 Ų | 64.7 | 34% | 0.34 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.4 | -36.6 | 177.1 | -75.6 | 178.6 | 162.2 | 0 | 0 | 112.6 | A217 S218 S225 L771 | A217-M221 HydrophobicContact CB-CB 4.28Å; A217-M221 HydrophobicContact CB-SD 4.35Å; S218-M221 WeakPolarHBondContact O-CB 3.43Å; S218-M221 PolarHBondContact O-N 3.17Å; S218-M221 WeakPolarHBondContact OG-CG 3.47Å; S218-M221 PolarHBondContact OG-N 2.74Å; M221-S225 VanDerWaalsContact O-CB 3.22Å; M221-S225 WeakPolarHBondContact O-CB 2.98Å; M221-S225 PolarHBondContact O-N 3.28Å; M221-L771 HydrophobicContact CE-CD1 4.08Å; M221-L771 HydrophobicContact CE-CD2 4.16Å |
| 222 | I | 80.9 | Confident | 72.7 | Confident | 34 Ų | 34 | 60.5 Ų | 60.5 | 17% | 0.174 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.2 | -51.9 | 177.7 | -59.7 | 174.2 | 0 | 0 | 0 | 109.6 | I125 P161 A217 S218 K219 A220 Q224 S225 F226 | I125-I222 HydrophobicContact CD1-CD1 3.92Å; I125-I222 HydrophobicContact CD1-CG1 4.16Å; P161-I222 HydrophobicContact CG-CG2 3.8Å; A217-I222 HydrophobicContact CB-CG1 4.43Å; S218-I222 PolarHBondContact O-N 3.45Å; K219-I222 PolarHBondContact O-N 3.49Å; A220-I222 VanDerWaalsContact C-N 3.3Å; A220-I222 PolarHBondContact O-N 2.94Å; I222-Q224 VanDerWaalsContact C-N 3.33Å; I222-Q224 PolarHBondContact O-N 3.21Å; I222-S225 PolarHBondContact O-N 2.9Å; I222-F226 HydrophobicContact CG2-CD2 3.82Å; I222-F226 HydrophobicContact CG2-CE2 3.78Å; I222-F226 WeakPolarHBondContact O-CD2 3.43Å; I222-F226 PolarHBondContact O-N 3.29Å |
| 223 | T | 85.7 | Confident | 75.1 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.6 | -47.1 | 177.9 | -63.1 | 0 | 0 | 0 | 0 | 111.6 | I160 P161 N162 I163 K219 A220 S225 F226 M227 | I160-T223 HydrophobicContact CG2-CG2 4.01Å; P161-T223 WeakPolarHBondContact O-CG2 3.42Å; P161-T223 PolarHBondContact O-OG1 3.33Å; N162-T223 WeakPolarHBondContact CB-OG1 3.15Å; N162-T223 PolarHBondContact ND2-OG1 2.93Å; I163-T223 HydrophobicContact CG1-CG2 4.35Å; K219-T223 PolarHBondContact O-N 3.2Å; K219-T223 PolarHBondContact O-OG1 2.99Å; A220-T223 PolarHBondContact O-N 3.45Å; T223-S225 PolarHBondContact O-N 3Å; T223-F226 PolarHBondContact O-N 2.93Å; T223-M227 WeakPolarHBondContact O-CB 3.39Å; T223-M227 PolarHBondContact O-N 3.48Å; T223-M227 VanDerWaalsContact O-N 3.09Å |
| 224 | Q | 85.4 | Confident | 77.7 | Confident | 39 Ų | 39 | 49.3 Ų | 49.3 | 18% | 0.182 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.3 | -50.9 | 176.9 | -167.4 | -176.2 | -32.2 | 0 | 0 | 111.6 | A220 I222 F226 M227 E228 I317 V321 M777 | A220-Q224 WeakPolarHBondContact O-CB 3.32Å; A220-Q224 PolarHBondContact O-N 3.21Å; I222-Q224 VanDerWaalsContact C-N 3.33Å; I222-Q224 PolarHBondContact O-N 3.21Å; Q224-F226 PolarHBondContact O-N 2.91Å; Q224-M227 PolarHBondContact O-N 3.36Å; Q224-E228 WeakPolarHBondContact CG-OE1 3.39Å; Q224-E228 PolarHBondContact NE2-OE1 3.46Å; Q224-E228 WeakPolarHBondContact O-CG 3.41Å; Q224-E228 PolarHBondContact O-N 3.09Å; Q224-I317 HydrophobicContact CB-CG2 3.56Å; Q224-I317 HydrophobicContact CG-CG2 3.8Å; Q224-V321 HydrophobicContact CG-CG2 3.58Å; Q224-M777 PolarHBondContact NE2-SD 3.47Å |
| 225 | S | 84.2 | Confident | 80.1 | Confident | 5 Ų | 5 | 40.2 Ų | 40.2 | 4% | 0.035 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.5 | -37.1 | -175.3 | -175.9 | 0 | 0 | 0 | 0 | 113.5 | R129 M221 I222 T223 M227 K229 | R129-S225 VanDerWaalsContact CZ-OG 3.25Å; R129-S225 PolarHBondContact NH2-OG 2.78Å; M221-S225 VanDerWaalsContact O-CB 3.22Å; M221-S225 WeakPolarHBondContact O-CB 2.98Å; M221-S225 PolarHBondContact O-N 3.28Å; I222-S225 PolarHBondContact O-N 2.9Å; T223-S225 PolarHBondContact O-N 3Å; S225-M227 VanDerWaalsContact C-N 3.35Å; S225-K229 WeakPolarHBondContact O-CB 3.42Å; S225-K229 WeakPolarHBondContact O-CG 3.39Å; S225-K229 PolarHBondContact O-N 3.45Å |
| 226 | F | 89.9 | Confident | 82.2 | Confident | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.009 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.6 | -41.6 | 173.6 | -91.9 | -101.5 | 0 | 0 | 0 | 111.6 | I125 R128 R129 L132 I160 P161 I222 T223 Q224 K229 A230 | I125-F226 HydrophobicContact CG2-CE2 3.8Å; I125-F226 HydrophobicContact CG2-CZ 4.36Å; R128-F226 HydrophobicContact CB-CE1 3.73Å; R128-F226 HydrophobicContact CB-CZ 3.54Å; R128-F226 HydrophobicContact CG-CZ 4.49Å; R129-F226 HydrophobicContact CG-CE1 4.39Å; R129-F226 HydrophobicContact CG-CE2 4.44Å; R129-F226 HydrophobicContact CG-CZ 4.27Å; L132-F226 HydrophobicContact CD2-CD1 4.27Å; I160-F226 HydrophobicContact CD1-CB 4.04Å; I160-F226 HydrophobicContact CG2-CB 4.35Å; P161-F226 HydrophobicContact CG-CB 4.21Å; P161-F226 HydrophobicContact CG-CD1 4.44Å; P161-F226 HydrophobicContact CG-CD2 3.83Å; P161-F226 HydrophobicContact CG-CE2 4.23Å; P161-F226 HydrophobicContact CG-CG 3.92Å; I222-F226 HydrophobicContact CG2-CD2 3.82Å; I222-F226 HydrophobicContact CG2-CE2 3.78Å; I222-F226 WeakPolarHBondContact O-CD2 3.43Å; I222-F226 PolarHBondContact O-N 3.29Å; T223-F226 PolarHBondContact O-N 2.93Å; Q224-F226 PolarHBondContact O-N 2.91Å; F226-K229 PolarHBondContact O-N 3.44Å; F226-A230 WeakPolarHBondContact O-CB 3.44Å; F226-A230 PolarHBondContact O-N 3.3Å |
| 227 | M | 90.5 | Very high | 84.2 | Confident | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.3 | -44.8 | 178 | -173.6 | 59.1 | 124.5 | 0 | 0 | 111.1 | I160 T223 Q224 S225 K229 A230 L231 Y267 C318 V321 L322 | I160-M227 HydrophobicContact CD1-CB 4.44Å; I160-M227 HydrophobicContact CD1-SD 4.29Å; I160-M227 HydrophobicContact CG1-SD 4.14Å; I160-M227 HydrophobicContact CG2-CB 4.37Å; T223-M227 WeakPolarHBondContact O-CB 3.39Å; T223-M227 PolarHBondContact O-N 3.48Å; T223-M227 VanDerWaalsContact O-N 3.09Å; Q224-M227 PolarHBondContact O-N 3.36Å; S225-M227 VanDerWaalsContact C-N 3.35Å; M227-K229 PolarHBondContact O-N 3.49Å; M227-A230 PolarHBondContact O-N 2.97Å; M227-L231 HydrophobicContact CG-CD1 4.31Å; M227-L231 WeakPolarHBondContact O-CG 3.31Å; M227-L231 PolarHBondContact O-N 2.85Å; M227-L231 VanDerWaalsContact O-N 3.08Å; M227-L231 HydrophobicContact SD-CD1 4.48Å; M227-Y267 HydrophobicContact CE-CD1 4.36Å; M227-Y267 HydrophobicContact CE-CG 4.11Å; M227-C318 HydrophobicContact CE-CB 3.85Å; M227-V321 HydrophobicContact CB-CG1 4.14Å; M227-V321 HydrophobicContact CG-CB 4.05Å; M227-V321 HydrophobicContact CG-CG1 3.69Å; M227-L322 HydrophobicContact CE-CD1 3.7Å; M227-L322 HydrophobicContact CE-CD2 4.08Å; M227-L322 HydrophobicContact CE-CG 3.78Å |
| 228 | E | 88.9 | Confident | 85.8 | Confident | 5 Ų | 5 | 20.4 Ų | 20.4 | 2% | 0.023 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59 | -48.6 | 175.6 | -73.5 | 169.6 | -175.6 | 0 | 0 | 111.9 | Q224 A230 L231 E232 V321 S774 I776 M777 | Q224-E228 WeakPolarHBondContact CG-OE1 3.39Å; Q224-E228 PolarHBondContact NE2-OE1 3.46Å; Q224-E228 WeakPolarHBondContact O-CG 3.41Å; Q224-E228 PolarHBondContact O-N 3.09Å; E228-A230 PolarHBondContact O-N 3.32Å; E228-L231 PolarHBondContact O-N 2.72Å; E228-E232 WeakPolarHBondContact O-CB 2.97Å; E228-E232 PolarHBondContact O-N 2.88Å; E228-V321 HydrophobicContact CB-CG1 4.43Å; E228-V321 HydrophobicContact CG-CG1 3.57Å; E228-V321 HydrophobicContact CG-CG2 4.12Å; E228-S774 VanDerWaalsContact OE2-CB 3.23Å; E228-S774 WeakPolarHBondContact OE2-CB 3.17Å; E228-S774 PolarHBondContact OE2-OG 3.47Å; E228-I776 HydrophobicContact CB-CD1 4.45Å; E228-M777 WeakPolarHBondContact OE1-CG 3.39Å; E228-M777 VanDerWaalsContact OE1-SD 3.36Å |
| 229 | K | 88.5 | Confident | 86.6 | Confident | 12 Ų | 12 | 19.3 Ų | 19.3 | 5% | 0.052 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.3 | -37.1 | 179.8 | -72.7 | -70.3 | 166.9 | -162.5 | 0 | 112.3 | S225 F226 M227 L231 E232 F233 E773 | S225-K229 WeakPolarHBondContact O-CB 3.42Å; S225-K229 WeakPolarHBondContact O-CG 3.39Å; S225-K229 PolarHBondContact O-N 3.45Å; F226-K229 PolarHBondContact O-N 3.44Å; M227-K229 PolarHBondContact O-N 3.49Å; K229-L231 PolarHBondContact O-N 3.47Å; K229-E232 WeakPolarHBondContact CD-OE2 3.29Å; K229-E232 WeakPolarHBondContact CE-OE2 3.44Å; K229-E232 IonicContact NZ-OE1 2.94Å; K229-E232 PolarHBondContact NZ-OE1 3.36Å; K229-E232 IonicContact NZ-OE2 3.73Å; K229-E232 PolarHBondContact NZ-OE2 3.42Å; K229-E232 PolarHBondContact O-N 2.78Å; K229-F233 HydrophobicContact CB-CD2 4.47Å; K229-F233 HydrophobicContact CB-CE2 3.86Å; K229-F233 HydrophobicContact CB-CZ 4.2Å; K229-F233 HydrophobicContact CD-CZ 4.01Å; K229-F233 WeakPolarHBondContact O-CB 3.42Å; K229-F233 WeakPolarHBondContact O-CD2 2.94Å; K229-F233 WeakPolarHBondContact O-CG 3.29Å; K229-F233 PolarHBondContact O-N 3.11Å; K229-E773 PolarHBondContact NZ-O 2.96Å |
| 230 | A | 90.9 | Very high | 87.2 | Confident | 4 Ų | 4 | 18.3 Ų | 18.3 | 3% | 0.033 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -58.4 | -49 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L132 I160 F226 M227 E228 F233 I234 | L132-A230 HydrophobicContact CD1-CB 4.24Å; L132-A230 HydrophobicContact CD2-CB 4Å; I160-A230 HydrophobicContact CD1-CB 3.98Å; F226-A230 WeakPolarHBondContact O-CB 3.44Å; F226-A230 PolarHBondContact O-N 3.3Å; M227-A230 PolarHBondContact O-N 2.97Å; E228-A230 PolarHBondContact O-N 3.32Å; A230-F233 PolarHBondContact O-N 2.89Å; A230-I234 WeakPolarHBondContact O-CB 3.33Å; A230-I234 VanDerWaalsContact O-CG1 3.23Å; A230-I234 WeakPolarHBondContact O-CG1 3.47Å; A230-I234 PolarHBondContact O-N 3.47Å |
| 231 | L | 92.1 | Very high | 87.8 | Confident | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -69.2 | -36.1 | -179.9 | -63.8 | 174.5 | 0 | 0 | 0 | 112.6 | M227 E228 K229 I234 S235 V263 V321 L322 W325 I776 | M227-L231 HydrophobicContact CG-CD1 4.31Å; M227-L231 WeakPolarHBondContact O-CG 3.31Å; M227-L231 PolarHBondContact O-N 2.85Å; M227-L231 VanDerWaalsContact O-N 3.08Å; M227-L231 HydrophobicContact SD-CD1 4.48Å; E228-L231 PolarHBondContact O-N 2.72Å; K229-L231 PolarHBondContact O-N 3.47Å; L231-I234 PolarHBondContact O-N 2.91Å; L231-S235 WeakPolarHBondContact O-CB 3.06Å; L231-S235 PolarHBondContact O-N 3.14Å; L231-S235 PolarHBondContact O-OG 3.22Å; L231-V263 HydrophobicContact CD2-CG1 4.13Å; L231-V263 HydrophobicContact CD2-CG2 4.32Å; L231-V321 HydrophobicContact CD1-CG1 3.92Å; L231-L322 HydrophobicContact CD1-CD2 3.93Å; L231-L322 HydrophobicContact CD1-CG 4.48Å; L231-L322 HydrophobicContact CD2-CD2 4.02Å; L231-W325 HydrophobicContact CB-CD2 4.11Å; L231-W325 HydrophobicContact CB-CG 3.87Å; L231-W325 HydrophobicContact CD1-CB 3.75Å; L231-W325 HydrophobicContact CD1-CD2 4.16Å; L231-W325 HydrophobicContact CD1-CE3 4.43Å; L231-W325 HydrophobicContact CD1-CG 3.85Å; L231-W325 HydrophobicContact CD2-CD2 4.06Å; L231-W325 HydrophobicContact CD2-CE3 4.04Å; L231-W325 HydrophobicContact CD2-CZ3 4.36Å; L231-W325 HydrophobicContact CG-CD2 4.34Å; L231-W325 HydrophobicContact CG-CG 4.31Å; L231-W325 PolarHBondContact O-NE1 3.08Å; L231-I776 HydrophobicContact CB-CD1 4.42Å |
| 232 | E | 88.6 | Confident | 88.3 | Confident | 40 Ų | 40 | 15.2 Ų | 15.2 | 19% | 0.187 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.8 | -47.1 | 172.2 | -172.6 | -174.8 | 155.6 | 0 | 0 | 111 | E228 K229 S235 S236 I776 | E228-E232 WeakPolarHBondContact O-CB 2.97Å; E228-E232 PolarHBondContact O-N 2.88Å; K229-E232 WeakPolarHBondContact CD-OE2 3.29Å; K229-E232 WeakPolarHBondContact CE-OE2 3.44Å; K229-E232 IonicContact NZ-OE1 2.94Å; K229-E232 PolarHBondContact NZ-OE1 3.36Å; K229-E232 IonicContact NZ-OE2 3.73Å; K229-E232 PolarHBondContact NZ-OE2 3.42Å; K229-E232 PolarHBondContact O-N 2.78Å; E232-S235 PolarHBondContact O-N 2.93Å; E232-S235 PolarHBondContact O-OG 3.37Å; E232-S236 VanDerWaalsContact O-CB 3.29Å; E232-S236 WeakPolarHBondContact O-CB 3.34Å; E232-S236 PolarHBondContact O-N 2.68Å; E232-S236 PolarHBondContact O-OG 3.39Å; E232-I776 HydrophobicContact CB-CD1 4.39Å |
| 233 | F | 91 | Very high | 88.6 | Confident | 11 Ų | 11 | 13.8 Ų | 13.8 | 5% | 0.048 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -67.4 | -40.8 | 177.8 | -60.3 | -36.6 | 0 | 0 | 0 | 112.3 | L132 K133 L136 K229 A230 S235 S236 D237 M764 | L132-F233 HydrophobicContact CG-CD2 4.4Å; K133-F233 HydrophobicContact CB-CD1 4.41Å; K133-F233 HydrophobicContact CB-CD2 3.7Å; K133-F233 HydrophobicContact CB-CE1 4.4Å; K133-F233 HydrophobicContact CB-CE2 3.67Å; K133-F233 HydrophobicContact CB-CG 4.11Å; K133-F233 HydrophobicContact CB-CZ 4.05Å; K133-F233 HydrophobicContact CD-CD1 4.2Å; K133-F233 HydrophobicContact CD-CE1 3.99Å; K133-F233 HydrophobicContact CD-CZ 4.26Å; K133-F233 HydrophobicContact CG-CD1 3.97Å; K133-F233 HydrophobicContact CG-CD2 4.09Å; K133-F233 HydrophobicContact CG-CE1 4.16Å; K133-F233 HydrophobicContact CG-CE2 4.26Å; K133-F233 HydrophobicContact CG-CG 3.97Å; K133-F233 HydrophobicContact CG-CZ 4.31Å; L136-F233 HydrophobicContact CD1-CB 3.79Å; L136-F233 HydrophobicContact CD1-CD2 4.37Å; K229-F233 HydrophobicContact CB-CD2 4.47Å; K229-F233 HydrophobicContact CB-CE2 3.86Å; K229-F233 HydrophobicContact CB-CZ 4.2Å; K229-F233 HydrophobicContact CD-CZ 4.01Å; K229-F233 WeakPolarHBondContact O-CB 3.42Å; K229-F233 WeakPolarHBondContact O-CD2 2.94Å; K229-F233 WeakPolarHBondContact O-CG 3.29Å; K229-F233 PolarHBondContact O-N 3.11Å; A230-F233 PolarHBondContact O-N 2.89Å; F233-S235 PolarHBondContact O-N 2.78Å; F233-S236 PolarHBondContact O-N 2.98Å; F233-D237 WeakPolarHBondContact CD1-OD2 3.34Å; F233-D237 WeakPolarHBondContact O-CB 3.44Å; F233-D237 PolarHBondContact O-N 3.07Å; F233-M764 HydrophobicContact CE2-CE 4.15Å; F233-M764 HydrophobicContact CZ-CE 3.54Å; F233-M764 HydrophobicContact CZ-SD 3.99Å |
| 234 | I | 91.2 | Very high | 88.4 | Confident | 2 Ų | 2 | 15.8 Ų | 15.8 | 1% | 0.01 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -58.5 | -38.8 | 175.6 | -73 | 168.2 | 0 | 0 | 0 | 111.2 | L136 F156 A230 L231 F238 L256 L259 I260 V263 | L136-I234 HydrophobicContact CD1-CG1 4.11Å; L136-I234 HydrophobicContact CD2-CD1 4.4Å; L136-I234 HydrophobicContact CD2-CG1 4.2Å; F156-I234 HydrophobicContact CZ-CD1 4.45Å; A230-I234 WeakPolarHBondContact O-CB 3.33Å; A230-I234 VanDerWaalsContact O-CG1 3.23Å; A230-I234 WeakPolarHBondContact O-CG1 3.47Å; A230-I234 PolarHBondContact O-N 3.47Å; L231-I234 PolarHBondContact O-N 2.91Å; I234-F238 WeakPolarHBondContact O-CD1 3.42Å; I234-L256 HydrophobicContact CG2-CD1 4.31Å; I234-L256 WeakPolarHBondContact O-CD1 3.37Å; I234-L259 HydrophobicContact CG1-CB 4.46Å; I234-L259 HydrophobicContact CG1-CD1 4.36Å; I234-L259 HydrophobicContact CG2-CB 4Å; I234-L259 HydrophobicContact CG2-CD1 4.3Å; I234-I260 HydrophobicContact CG2-CG1 4.27Å; I234-V263 HydrophobicContact CD1-CG2 3.49Å; I234-V263 VanDerWaalsContact CD1-CG2 3.49Å |
| 235 | S | 89 | Confident | 88.2 | Confident | 3 Ų | 3 | 20.8 Ų | 20.8 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -85.6 | -26.9 | -177.4 | 55.3 | 0 | 0 | 0 | 0 | 114.6 | L231 E232 F233 F238 Y329 N377 | L231-S235 WeakPolarHBondContact O-CB 3.06Å; L231-S235 PolarHBondContact O-N 3.14Å; L231-S235 PolarHBondContact O-OG 3.22Å; E232-S235 PolarHBondContact O-N 2.93Å; E232-S235 PolarHBondContact O-OG 3.37Å; F233-S235 PolarHBondContact O-N 2.78Å; S235-F238 VanDerWaalsContact O-CE1 3.29Å; S235-F238 WeakPolarHBondContact O-CE1 3.37Å; S235-Y329 WeakPolarHBondContact CB-OH 3.47Å; S235-Y329 PolarHBondContact OG-OH 3.41Å; S235-Y329 VanDerWaalsContact OG-OH 3.09Å; S235-N377 PolarHBondContact O-ND2 3.37Å |
| 236 | S | 86.6 | Confident | 88 | Confident | 18 Ų | 18 | 29.5 Ų | 29.5 | 13% | 0.126 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -101.6 | -36.5 | -176.2 | 61.5 | 0 | 0 | 0 | 0 | 114.4 | E232 F233 S376 N377 | E232-S236 VanDerWaalsContact O-CB 3.29Å; E232-S236 WeakPolarHBondContact O-CB 3.34Å; E232-S236 PolarHBondContact O-N 2.68Å; E232-S236 PolarHBondContact O-OG 3.39Å; F233-S236 PolarHBondContact O-N 2.98Å; S236-S376 WeakPolarHBondContact CB-OG 3.39Å; S236-N377 PolarHBondContact O-ND2 3.19Å |
| 237 | D | 89.3 | Confident | 87.5 | Confident | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -14.1 | -163.9 | -70.5 | -15.6 | 0 | 0 | 0 | 114.4 | K133 L137 F233 T239 K240 | K133-D237 WeakPolarHBondContact CE-OD2 3.46Å; K133-D237 WeakPolarHBondContact CG-OD2 3.39Å; L137-D237 HydrophobicContact CD2-CB 4.25Å; F233-D237 WeakPolarHBondContact CD1-OD2 3.34Å; F233-D237 WeakPolarHBondContact O-CB 3.44Å; F233-D237 PolarHBondContact O-N 3.07Å; D237-T239 PolarHBondContact O-N 2.97Å; D237-K240 HydrophobicContact CB-CD 4.2Å; D237-K240 VanDerWaalsContact O-CB 3.23Å; D237-K240 WeakPolarHBondContact O-CB 3.31Å; D237-K240 PolarHBondContact O-N 2.56Å; D237-K240 WeakPolarHBondContact OD1-CD 3.47Å; D237-K240 WeakPolarHBondContact OD1-CE 3.38Å; D237-K240 IonicContact OD1-NZ 3.33Å; D237-K240 PolarHBondContact OD1-NZ 2.93Å |
| 238 | F | 88.1 | Confident | 87.3 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -60.9 | -29 | -178.7 | 77.5 | -86 | 0 | 0 | 0 | 113.3 | I234 S235 K240 Q252 L256 N377 I380 V381 | I234-F238 WeakPolarHBondContact O-CD1 3.42Å; S235-F238 VanDerWaalsContact O-CE1 3.29Å; S235-F238 WeakPolarHBondContact O-CE1 3.37Å; F238-K240 VanDerWaalsContact C-N 3.28Å; F238-K240 PolarHBondContact O-N 2.97Å; F238-Q252 HydrophobicContact CD2-CB 4.2Å; F238-Q252 HydrophobicContact CE2-CB 4.43Å; F238-L256 HydrophobicContact CD1-CD1 3.87Å; F238-L256 HydrophobicContact CD1-CD2 4.45Å; F238-L256 HydrophobicContact CD2-CB 3.93Å; F238-L256 HydrophobicContact CD2-CD2 4.44Å; F238-L256 HydrophobicContact CE1-CD1 4.1Å; F238-L256 HydrophobicContact CE1-CD2 3.97Å; F238-L256 HydrophobicContact CE2-CB 4.19Å; F238-L256 HydrophobicContact CE2-CD2 3.98Å; F238-L256 HydrophobicContact CG-CB 4.17Å; F238-L256 HydrophobicContact CG-CD1 4.15Å; F238-L256 HydrophobicContact CZ-CD2 3.72Å; F238-N377 HydrophobicContact CE1-CB 3.74Å; F238-N377 HydrophobicContact CZ-CB 3.91Å; F238-I380 HydrophobicContact CE2-CG2 4.03Å; F238-I380 HydrophobicContact CZ-CB 4.13Å; F238-I380 HydrophobicContact CZ-CD1 4.41Å; F238-I380 HydrophobicContact CZ-CG2 3.7Å; F238-V381 HydrophobicContact CE1-CG2 3.98Å |
| 239 | T | 88.1 | Confident | 87 | Confident | 35 Ų | 35 | 40.2 Ų | 40.2 | 22% | 0.215 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -76.2 | -15.9 | 175.4 | 54.2 | 0 | 0 | 0 | 0 | 113.2 | D237 V241 Q252 N377 I380 | D237-T239 PolarHBondContact O-N 2.97Å; T239-V241 VanDerWaalsContact C-N 3.28Å; T239-Q252 PolarHBondContact O-NE2 3.08Å; T239-N377 HydrophobicContact CG2-CB 4.48Å; T239-N377 WeakPolarHBondContact CG2-OD1 3.43Å; T239-N377 PolarHBondContact OG1-ND2 3.31Å; T239-N377 VanDerWaalsContact OG1-ND2 3.08Å; T239-N377 PolarHBondContact OG1-OD1 3.2Å; T239-I380 HydrophobicContact CG2-CD1 4.39Å |
| 240 | K | 88.2 | Confident | 86.7 | Confident | 85 Ų | 85 | 46.2 Ų | 46.2 | 37% | 0.37 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -75.3 | -18.3 | 176.4 | -57.4 | -179.9 | 178.5 | 169.9 | 0 | 112.4 | Q96 D237 F238 L242 | Q96-K240 VanDerWaalsContact CB-O 3.31Å; Q96-K240 WeakPolarHBondContact CB-O 3.39Å; Q96-K240 HydrophobicContact CG-CB 3.97Å; Q96-K240 WeakPolarHBondContact CG-O 3.28Å; D237-K240 HydrophobicContact CB-CD 4.2Å; D237-K240 VanDerWaalsContact O-CB 3.23Å; D237-K240 WeakPolarHBondContact O-CB 3.31Å; D237-K240 PolarHBondContact O-N 2.56Å; D237-K240 WeakPolarHBondContact OD1-CD 3.47Å; D237-K240 WeakPolarHBondContact OD1-CE 3.38Å; D237-K240 IonicContact OD1-NZ 3.33Å; D237-K240 PolarHBondContact OD1-NZ 2.93Å; F238-K240 VanDerWaalsContact C-N 3.28Å; F238-K240 PolarHBondContact O-N 2.97Å; K240-L242 PolarHBondContact O-N 3.37Å |
| 241 | V | 88.9 | Confident | 86.3 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -77 | 103.1 | 173.4 | -173.8 | 0 | 0 | 0 | 0 | 109.1 | P99 L137 T239 W243 Q252 | P99-V241 HydrophobicContact CB-CG1 3.58Å; P99-V241 HydrophobicContact CG-CG1 4.06Å; L137-V241 HydrophobicContact CD2-CG2 3.64Å; T239-V241 VanDerWaalsContact C-N 3.28Å; V241-W243 HydrophobicContact CG1-CZ2 4.27Å; V241-W243 PolarHBondContact O-N 3.47Å; V241-W243 VanDerWaalsContact O-N 3.16Å; V241-Q252 PolarHBondContact O-NE2 3.12Å |
| 242 | L | 87.7 | Confident | 86.1 | Confident | 17 Ų | 17 | 50.6 Ų | 50.6 | 9% | 0.089 | 25% | 0.251 | C | S | . | . | trans | -86.6 | 79.7 | -173.9 | -64.9 | 177.4 | 0 | 0 | 0 | 111.1 | T43 K47 Q96 P99 K240 | T43-L242 HydrophobicContact CG2-CD1 4.05Å; K47-L242 HydrophobicContact CD-CB 4.36Å; K47-L242 WeakPolarHBondContact CD-O 3.19Å; K47-L242 PolarHBondContact NZ-O 3.48Å; Q96-L242 WeakPolarHBondContact O-CB 3.45Å; Q96-L242 PolarHBondContact O-N 3.23Å; P99-L242 WeakPolarHBondContact CG-O 3.29Å; K240-L242 PolarHBondContact O-N 3.37Å | ||
| 243 | W | 87.2 | Confident | 86 | Confident | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.015 | 26% | 0.256 | C | S | . | . | trans | -60.9 | 162.8 | 168.6 | -61.1 | 99.9 | 0 | 0 | 0 | 112 | K47 P99 E100 V241 K245 R248 K251 | K47-W243 VanDerWaalsContact NZ-C 3.32Å; P99-W243 HydrophobicContact CB-CD2 3.95Å; P99-W243 HydrophobicContact CB-CE3 3.7Å; P99-W243 HydrophobicContact CB-CH2 3.93Å; P99-W243 HydrophobicContact CB-CZ2 4.14Å; P99-W243 HydrophobicContact CB-CZ3 3.69Å; P99-W243 HydrophobicContact CG-CD2 3.98Å; P99-W243 HydrophobicContact CG-CE3 3.79Å; P99-W243 HydrophobicContact CG-CG 4.38Å; P99-W243 HydrophobicContact CG-CZ3 4.27Å; E100-W243 WeakPolarHBondContact OE1-CA 3.26Å; V241-W243 HydrophobicContact CG1-CZ2 4.27Å; V241-W243 PolarHBondContact O-N 3.47Å; V241-W243 VanDerWaalsContact O-N 3.16Å; W243-K245 PolarHBondContact O-N 2.88Å; W243-R248 HydrophobicContact CB-CB 4.47Å; W243-R248 HydrophobicContact CB-CG 4.33Å; W243-R248 PolarHBondContact O-NE 3.38Å; W243-R248 PolarHBondContact O-NH2 2.86Å; W243-K251 HydrophobicContact CB-CB 4.38Å; W243-K251 HydrophobicContact CB-CD 3.98Å; W243-K251 HydrophobicContact CD2-CB 4.34Å; W243-K251 HydrophobicContact CD2-CD 3.82Å; W243-K251 HydrophobicContact CE3-CD 3.94Å; W243-K251 HydrophobicContact CG-CB 3.93Å; W243-K251 HydrophobicContact CG-CD 3.86Å | ||
| 244 | A | 82.6 | Confident | 85.6 | Confident | 42 Ų | 42 | 52 Ų | 52 | 35% | 0.347 | 26% | 0.262 | S | S | . | . | trans | -49.7 | 138.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | E100 Q246 R248 | E100-A244 PolarHBondContact OE1-N 2.9Å; A244-Q246 PolarHBondContact O-N 2.82Å; A244-R248 WeakPolarHBondContact O-CB 3.34Å; A244-R248 PolarHBondContact O-N 3.38Å | ||
| 245 | K | 81 | Confident | 85.4 | Confident | 145 Ų | 145 | 52.1 Ų | 52.1 | 63% | 0.63 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -49 | -41.5 | -173 | -73.9 | -173 | 179.5 | -176.2 | 0 | 112.9 | E44 W243 G247 R248 | E44-K245 WeakPolarHBondContact OE2-CE 3.36Å; W243-K245 PolarHBondContact O-N 2.88Å; K245-G247 PolarHBondContact O-N 3.18Å; K245-R248 PolarHBondContact O-N 3.02Å |
| 246 | Q | 79.4 | Confident | 85.5 | Confident | 188 Ų | 188 | 52 Ų | 52 | 88% | 0.879 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | 109.7 | 178.7 | -166.5 | 170.9 | 2.9 | 0 | 0 | 110.3 | A244 | A244-Q246 PolarHBondContact O-N 2.82Š|
| 247 | G | 79.5 | Confident | 85.5 | Confident | 40 Ų | 40 | 53.8 Ų | 53.8 | 41% | 0.412 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81 | 12.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | K245 E249 F250 K251 | K245-G247 PolarHBondContact O-N 3.18Å; G247-E249 PolarHBondContact O-N 3.39Å; G247-F250 PolarHBondContact O-N 3.28Å; G247-K251 PolarHBondContact O-N 3.13Å |
| 248 | R | 86.2 | Confident | 85.3 | Confident | 40 Ų | 40 | 56.4 Ų | 56.4 | 15% | 0.151 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -52.8 | -56.2 | 179.3 | 175.3 | -177.7 | -65.5 | 167.4 | 2.4 | 112.6 | E44 W243 A244 K245 F250 K251 Q252 | E44-R248 IonicContact OE1-CZ 2.97Å; E44-R248 IonicContact OE1-NH1 3.47Å; E44-R248 PolarHBondContact OE1-NH1 3.03Å; E44-R248 IonicContact OE1-NH2 2.72Å; E44-R248 PolarHBondContact OE1-NH2 2.87Å; E44-R248 IonicContact OE2-NH2 3.09Å; W243-R248 HydrophobicContact CB-CB 4.47Å; W243-R248 HydrophobicContact CB-CG 4.33Å; W243-R248 PolarHBondContact O-NE 3.38Å; W243-R248 PolarHBondContact O-NH2 2.86Å; A244-R248 WeakPolarHBondContact O-CB 3.34Å; A244-R248 PolarHBondContact O-N 3.38Å; K245-R248 PolarHBondContact O-N 3.02Å; R248-F250 VanDerWaalsContact C-N 3.29Å; R248-F250 PolarHBondContact O-N 3.01Å; R248-K251 PolarHBondContact O-N 3.42Å; R248-K251 VanDerWaalsContact O-N 3.15Å; R248-Q252 HydrophobicContact CG-CG 4.28Å; R248-Q252 WeakPolarHBondContact O-CG 3.45Å; R248-Q252 PolarHBondContact O-N 3.04Å |
| 249 | E | 82.5 | Confident | 85.4 | Confident | 152 Ų | 152 | 56.4 Ų | 56.4 | 71% | 0.71 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -60.2 | -43.1 | -176.2 | -67.2 | -178.2 | 173.8 | 0 | 0 | 111.1 | G247 K251 Q252 I253 | G247-E249 PolarHBondContact O-N 3.39Å; E249-K251 PolarHBondContact O-N 2.99Å; E249-Q252 PolarHBondContact O-N 2.94Å; E249-I253 VanDerWaalsContact O-CG1 3.27Å; E249-I253 WeakPolarHBondContact O-CG1 3.33Å; E249-I253 PolarHBondContact O-N 2.93Å |
| 250 | F | 82.2 | Confident | 85.5 | Confident | 139 Ų | 139 | 54.7 Ų | 54.7 | 61% | 0.61 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -59 | -47.6 | 175.2 | -177.4 | -97.8 | 0 | 0 | 0 | 111.5 | G247 R248 Q252 I253 C254 | G247-F250 PolarHBondContact O-N 3.28Å; R248-F250 VanDerWaalsContact C-N 3.29Å; R248-F250 PolarHBondContact O-N 3.01Å; F250-Q252 PolarHBondContact O-N 2.94Å; F250-I253 PolarHBondContact O-N 3.27Å; F250-C254 PolarHBondContact O-N 3.49Å; F250-C254 PolarHBondContact O-SG 3.49Å |
| 251 | K | 83 | Confident | 85.3 | Confident | 77 Ų | 77 | 53.4 Ų | 53.4 | 34% | 0.335 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 175.9 | -77.5 | -172.4 | 175.6 | -173 | 0 | 112.8 | W243 G247 R248 E249 C254 C255 | W243-K251 HydrophobicContact CB-CB 4.38Å; W243-K251 HydrophobicContact CB-CD 3.98Å; W243-K251 HydrophobicContact CD2-CB 4.34Å; W243-K251 HydrophobicContact CD2-CD 3.82Å; W243-K251 HydrophobicContact CE3-CD 3.94Å; W243-K251 HydrophobicContact CG-CB 3.93Å; W243-K251 HydrophobicContact CG-CD 3.86Å; G247-K251 PolarHBondContact O-N 3.13Å; R248-K251 PolarHBondContact O-N 3.42Å; R248-K251 VanDerWaalsContact O-N 3.15Å; E249-K251 PolarHBondContact O-N 2.99Å; K251-C254 WeakPolarHBondContact O-CB 3.4Å; K251-C254 PolarHBondContact O-N 3.1Å; K251-C255 PolarHBondContact O-N 3.02Å; K251-C255 PolarHBondContact O-SG 2.95Å |
| 252 | Q | 88.6 | Confident | 85.1 | Confident | 20 Ų | 20 | 54 Ų | 54 | 9% | 0.093 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63 | -42.8 | 177.4 | -73.2 | 176.9 | -22.7 | 0 | 0 | 111.3 | F238 T239 V241 R248 E249 F250 C255 L256 | F238-Q252 HydrophobicContact CD2-CB 4.2Å; F238-Q252 HydrophobicContact CE2-CB 4.43Å; T239-Q252 PolarHBondContact O-NE2 3.08Å; V241-Q252 PolarHBondContact O-NE2 3.12Å; R248-Q252 HydrophobicContact CG-CG 4.28Å; R248-Q252 WeakPolarHBondContact O-CG 3.45Å; R248-Q252 PolarHBondContact O-N 3.04Å; E249-Q252 PolarHBondContact O-N 2.94Å; F250-Q252 PolarHBondContact O-N 2.94Å; Q252-C255 PolarHBondContact O-N 3.32Å; Q252-L256 WeakPolarHBondContact O-CB 3.46Å; Q252-L256 PolarHBondContact O-N 2.97Å |
| 253 | I | 85.1 | Confident | 85.2 | Confident | 56 Ų | 56 | 53.3 Ų | 53.3 | 29% | 0.287 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.1 | -42.2 | 174.4 | -67.3 | 165.9 | 0 | 0 | 0 | 110.8 | E249 F250 L256 R257 I380 | E249-I253 VanDerWaalsContact O-CG1 3.27Å; E249-I253 WeakPolarHBondContact O-CG1 3.33Å; E249-I253 PolarHBondContact O-N 2.93Å; F250-I253 PolarHBondContact O-N 3.27Å; I253-L256 PolarHBondContact O-N 3.35Å; I253-R257 HydrophobicContact CG2-CG 4.49Å; I253-R257 WeakPolarHBondContact O-CB 3.49Å; I253-R257 VanDerWaalsContact O-CG 3.29Å; I253-R257 WeakPolarHBondContact O-CG 3.5Å; I253-R257 PolarHBondContact O-N 3.5Å; I253-I380 HydrophobicContact CG1-CG2 4.34Å |
| 254 | C | 84.2 | Confident | 85.1 | Confident | 25 Ų | 25 | 53.2 Ų | 53.2 | 17% | 0.169 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 174.3 | -73.1 | 0 | 0 | 0 | 0 | 112.1 | F250 K251 R257 C258 | F250-C254 PolarHBondContact O-N 3.49Å; F250-C254 PolarHBondContact O-SG 3.49Å; K251-C254 WeakPolarHBondContact O-CB 3.4Å; K251-C254 PolarHBondContact O-N 3.1Å; C254-R257 PolarHBondContact O-N 3.34Å; C254-C258 PolarHBondContact O-N 3.22Å; C254-C258 PolarHBondContact O-SG 3.41Å |
| 255 | C | 86.6 | Confident | 85.1 | Confident | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.02 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 176.9 | -66.2 | 0 | 0 | 0 | 0 | 111.4 | Q140 K251 Q252 R257 C258 L259 | Q140-C255 HydrophobicContact CB-CB 4.45Å; Q140-C255 HydrophobicContact CG-CB 4.35Å; K251-C255 PolarHBondContact O-N 3.02Å; K251-C255 PolarHBondContact O-SG 2.95Å; Q252-C255 PolarHBondContact O-N 3.32Å; C255-R257 VanDerWaalsContact C-N 3.35Å; C255-R257 PolarHBondContact O-N 2.69Å; C255-C258 PolarHBondContact O-N 2.93Å; C255-L259 WeakPolarHBondContact O-CG 3.44Å; C255-L259 PolarHBondContact O-N 2.85Å |
| 256 | L | 90.1 | Very high | 85.1 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 175.2 | 179.1 | 64.7 | 0 | 0 | 0 | 111.4 | I234 F238 Q252 I253 C258 L259 I260 I380 V381 T384 | I234-L256 HydrophobicContact CG2-CD1 4.31Å; I234-L256 WeakPolarHBondContact O-CD1 3.37Å; F238-L256 HydrophobicContact CD1-CD1 3.87Å; F238-L256 HydrophobicContact CD1-CD2 4.45Å; F238-L256 HydrophobicContact CD2-CB 3.93Å; F238-L256 HydrophobicContact CD2-CD2 4.44Å; F238-L256 HydrophobicContact CE1-CD1 4.1Å; F238-L256 HydrophobicContact CE1-CD2 3.97Å; F238-L256 HydrophobicContact CE2-CB 4.19Å; F238-L256 HydrophobicContact CE2-CD2 3.98Å; F238-L256 HydrophobicContact CG-CB 4.17Å; F238-L256 HydrophobicContact CG-CD1 4.15Å; F238-L256 HydrophobicContact CZ-CD2 3.72Å; Q252-L256 WeakPolarHBondContact O-CB 3.46Å; Q252-L256 PolarHBondContact O-N 2.97Å; I253-L256 PolarHBondContact O-N 3.35Å; L256-C258 PolarHBondContact O-N 2.87Å; L256-L259 PolarHBondContact O-N 3.49Å; L256-I260 HydrophobicContact CD1-CD1 3.82Å; L256-I260 HydrophobicContact CD1-CG1 4.12Å; L256-I260 HydrophobicContact CG-CD1 3.84Å; L256-I260 HydrophobicContact CG-CG1 4.45Å; L256-I260 VanDerWaalsContact O-CG1 3.29Å; L256-I260 WeakPolarHBondContact O-CG1 3.38Å; L256-I260 PolarHBondContact O-N 2.92Å; L256-I380 HydrophobicContact CD2-CG2 4.16Å; L256-V381 HydrophobicContact CD2-CG2 4.24Å; L256-T384 HydrophobicContact CD2-CG2 4.14Å; L256-T384 WeakPolarHBondContact CD2-OG1 3.14Å; L256-T384 HydrophobicContact CG-CG2 4.25Å |
| 257 | R | 87.8 | Confident | 85.5 | Confident | 56 Ų | 56 | 40.6 Ų | 40.6 | 21% | 0.211 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.8 | -48.1 | 175.6 | -75.1 | 172.6 | -178.1 | 177.8 | -0.6 | 111.3 | I253 C254 C255 I260 D261 T384 Y388 | I253-R257 HydrophobicContact CG2-CG 4.49Å; I253-R257 WeakPolarHBondContact O-CB 3.49Å; I253-R257 VanDerWaalsContact O-CG 3.29Å; I253-R257 WeakPolarHBondContact O-CG 3.5Å; I253-R257 PolarHBondContact O-N 3.5Å; C254-R257 PolarHBondContact O-N 3.34Å; C255-R257 VanDerWaalsContact C-N 3.35Å; C255-R257 PolarHBondContact O-N 2.69Å; R257-I260 PolarHBondContact O-N 2.94Å; R257-D261 VanDerWaalsContact O-CB 3.26Å; R257-D261 WeakPolarHBondContact O-CB 3.43Å; R257-D261 PolarHBondContact O-N 3.49Å; R257-T384 HydrophobicContact CG-CG2 3.65Å; R257-Y388 HydrophobicContact CB-CE1 4.49Å; R257-Y388 HydrophobicContact CG-CD1 4.08Å; R257-Y388 HydrophobicContact CG-CE1 4.25Å |
| 258 | C | 84.9 | Confident | 85.6 | Confident | 59 Ų | 59 | 38.7 Ų | 38.7 | 40% | 0.399 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.7 | -44 | 177.5 | -67.9 | 0 | 0 | 0 | 0 | 112.3 | C254 C255 L256 D261 S262 | C254-C258 PolarHBondContact O-N 3.22Å; C254-C258 PolarHBondContact O-SG 3.41Å; C255-C258 PolarHBondContact O-N 2.93Å; L256-C258 PolarHBondContact O-N 2.87Å; C258-D261 PolarHBondContact O-N 3.37Å; C258-S262 WeakPolarHBondContact O-CB 3.32Å; C258-S262 PolarHBondContact O-N 3.3Å; C258-S262 PolarHBondContact O-OG 2.91Å; C258-S262 VanDerWaalsContact O-OG 3.12Å |
| 259 | L | 89.8 | Confident | 85 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.9 | -48.1 | 177.5 | -75.8 | 172.7 | 0 | 0 | 0 | 112 | L136 Y139 Q140 F156 I234 C255 L256 D261 S262 V263 | L136-L259 HydrophobicContact CD2-CD2 4.22Å; Y139-L259 HydrophobicContact CD1-CD2 3.69Å; Y139-L259 HydrophobicContact CE1-CD2 4.04Å; Q140-L259 HydrophobicContact CG-CD1 3.49Å; Q140-L259 VanDerWaalsContact CG-CD1 3.49Å; Q140-L259 HydrophobicContact CG-CD2 3.93Å; Q140-L259 HydrophobicContact CG-CG 3.81Å; Q140-L259 VanDerWaalsContact NE2-CD1 3.26Å; F156-L259 HydrophobicContact CE2-CD2 4.3Å; I234-L259 HydrophobicContact CG1-CB 4.46Å; I234-L259 HydrophobicContact CG1-CD1 4.36Å; I234-L259 HydrophobicContact CG2-CB 4Å; I234-L259 HydrophobicContact CG2-CD1 4.3Å; C255-L259 WeakPolarHBondContact O-CG 3.44Å; C255-L259 PolarHBondContact O-N 2.85Å; L256-L259 PolarHBondContact O-N 3.49Å; L259-D261 VanDerWaalsContact C-N 3.3Å; L259-D261 PolarHBondContact O-N 3.3Å; L259-S262 PolarHBondContact O-N 3.08Å; L259-V263 WeakPolarHBondContact O-CG2 3.42Å; L259-V263 PolarHBondContact O-N 2.79Å |
| 260 | I | 89.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.6 | -42.1 | 178.5 | -63.7 | 173.2 | 0 | 0 | 0 | 109.4 | I234 L256 R257 S262 V263 Y264 W325 T384 L385 L391 | I234-I260 HydrophobicContact CG2-CG1 4.27Å; L256-I260 HydrophobicContact CD1-CD1 3.82Å; L256-I260 HydrophobicContact CD1-CG1 4.12Å; L256-I260 HydrophobicContact CG-CD1 3.84Å; L256-I260 HydrophobicContact CG-CG1 4.45Å; L256-I260 VanDerWaalsContact O-CG1 3.29Å; L256-I260 WeakPolarHBondContact O-CG1 3.38Å; L256-I260 PolarHBondContact O-N 2.92Å; R257-I260 PolarHBondContact O-N 2.94Å; I260-S262 VanDerWaalsContact C-N 3.32Å; I260-S262 PolarHBondContact O-N 3.43Å; I260-V263 WeakPolarHBondContact O-CA 3.47Å; I260-V263 WeakPolarHBondContact O-CB 3.33Å; I260-V263 PolarHBondContact O-N 3.22Å; I260-V263 VanDerWaalsContact O-N 3.08Å; I260-Y264 HydrophobicContact CG2-CD2 3.75Å; I260-Y264 HydrophobicContact CG2-CE2 3.53Å; I260-Y264 WeakPolarHBondContact O-CD2 3.48Å; I260-Y264 PolarHBondContact O-N 2.75Å; I260-W325 HydrophobicContact CD1-CH2 4.36Å; I260-W325 HydrophobicContact CG1-CH2 4.17Å; I260-T384 HydrophobicContact CD1-CG2 4.05Å; I260-L385 HydrophobicContact CD1-CD2 4.12Å; I260-L385 HydrophobicContact CD1-CG 4.38Å; I260-L385 HydrophobicContact CG2-CD2 3.93Å; I260-L391 HydrophobicContact CB-CD1 3.94Å; I260-L391 HydrophobicContact CB-CD2 4.49Å; I260-L391 HydrophobicContact CD1-CD1 4.48Å; I260-L391 HydrophobicContact CG2-CD1 3.74Å; I260-L391 HydrophobicContact CG2-CD2 3.83Å; I260-L391 HydrophobicContact CG2-CG 4.34Å |
| 261 | D | 85.6 | Confident | 84.4 | Confident | 58 Ų | 58 | 26.8 Ų | 26.8 | 31% | 0.31 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -60.8 | -39.3 | 176.2 | -164.1 | 58.1 | 0 | 0 | 0 | 112.5 | R257 C258 L259 Y264 S265 L391 R394 | R257-D261 VanDerWaalsContact O-CB 3.26Å; R257-D261 WeakPolarHBondContact O-CB 3.43Å; R257-D261 PolarHBondContact O-N 3.49Å; C258-D261 PolarHBondContact O-N 3.37Å; L259-D261 VanDerWaalsContact C-N 3.3Å; L259-D261 PolarHBondContact O-N 3.3Å; D261-Y264 PolarHBondContact O-N 2.89Å; D261-S265 WeakPolarHBondContact O-CB 3.38Å; D261-S265 PolarHBondContact O-N 3.4Å; D261-S265 PolarHBondContact O-OG 2.89Å; D261-L391 HydrophobicContact CB-CD2 4.41Å; D261-R394 IonicContact OD1-CZ 2.73Å; D261-R394 IonicContact OD1-NH1 3.29Å; D261-R394 PolarHBondContact OD1-NH1 3.4Å; D261-R394 IonicContact OD1-NH2 3.38Å |
| 262 | S | 84.7 | Confident | 84 | Confident | 12 Ų | 12 | 23.3 Ų | 23.3 | 8% | 0.084 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.7 | -36.4 | 172.4 | -64.2 | 0 | 0 | 0 | 0 | 112 | Y139 C258 L259 I260 S265 H266 | Y139-S262 PolarHBondContact OH-OG 3.18Å; C258-S262 WeakPolarHBondContact O-CB 3.32Å; C258-S262 PolarHBondContact O-N 3.3Å; C258-S262 PolarHBondContact O-OG 2.91Å; C258-S262 VanDerWaalsContact O-OG 3.12Å; L259-S262 PolarHBondContact O-N 3.08Å; I260-S262 VanDerWaalsContact C-N 3.32Å; I260-S262 PolarHBondContact O-N 3.43Å; S262-S265 PolarHBondContact O-N 2.64Å; S262-H266 WeakPolarHBondContact O-CB 3.42Å; S262-H266 PolarHBondContact O-N 2.63Å; S262-H266 PolarHBondContact O-ND1 3.39Å |
| 263 | V | 89.2 | Confident | 82.7 | Confident | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.018 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -61.4 | -45.7 | 172.4 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | F156 L231 I234 L259 I260 Y267 V268 L322 | F156-V263 HydrophobicContact CE1-CG2 4.43Å; F156-V263 HydrophobicContact CZ-CG2 3.94Å; L231-V263 HydrophobicContact CD2-CG1 4.13Å; L231-V263 HydrophobicContact CD2-CG2 4.32Å; I234-V263 HydrophobicContact CD1-CG2 3.49Å; I234-V263 VanDerWaalsContact CD1-CG2 3.49Å; L259-V263 WeakPolarHBondContact O-CG2 3.42Å; L259-V263 PolarHBondContact O-N 2.79Å; I260-V263 WeakPolarHBondContact O-CA 3.47Å; I260-V263 WeakPolarHBondContact O-CB 3.33Å; I260-V263 PolarHBondContact O-N 3.22Å; I260-V263 VanDerWaalsContact O-N 3.08Å; V263-Y267 HydrophobicContact CB-CD2 4.47Å; V263-Y267 HydrophobicContact CG1-CD2 4.35Å; V263-Y267 HydrophobicContact CG2-CD2 4.39Å; V263-Y267 WeakPolarHBondContact O-CA 3.49Å; V263-Y267 WeakPolarHBondContact O-CB 3.35Å; V263-Y267 PolarHBondContact O-N 2.99Å; V263-V268 HydrophobicContact CG1-CG2 4.5Å; V263-V268 PolarHBondContact O-N 3.37Å; V263-L322 HydrophobicContact CG1-CD2 3.67Å |
| 264 | Y | 85.3 | Confident | 81.5 | Confident | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -60.9 | -49.4 | 175.5 | -82.5 | -79.9 | 0 | 0 | 0 | 112 | I260 D261 H266 V268 A269 Y277 L391 R394 T395 I398 | I260-Y264 HydrophobicContact CG2-CD2 3.75Å; I260-Y264 HydrophobicContact CG2-CE2 3.53Å; I260-Y264 WeakPolarHBondContact O-CD2 3.48Å; I260-Y264 PolarHBondContact O-N 2.75Å; D261-Y264 PolarHBondContact O-N 2.89Å; Y264-H266 VanDerWaalsContact C-N 3.34Å; Y264-H266 PolarHBondContact O-N 3.13Å; Y264-V268 HydrophobicContact CD1-CB 4.11Å; Y264-V268 HydrophobicContact CD1-CG1 4.18Å; Y264-V268 HydrophobicContact CD1-CG2 3.83Å; Y264-V268 HydrophobicContact CE1-CG2 4.31Å; Y264-V268 HydrophobicContact CG-CG2 4.29Å; Y264-V268 WeakPolarHBondContact O-CB 3.23Å; Y264-V268 PolarHBondContact O-N 2.86Å; Y264-A269 PolarHBondContact O-N 3.08Å; Y264-Y277 HydrophobicContact CD1-CE1 4.01Å; Y264-Y277 PolarHBondContact O-OH 2.82Å; Y264-L391 HydrophobicContact CD2-CD2 3.67Å; Y264-L391 HydrophobicContact CE2-CD2 3.87Å; Y264-R394 HydrophobicContact CD1-CB 3.48Å; Y264-R394 VanDerWaalsContact CD1-CB 3.48Å; Y264-R394 HydrophobicContact CD1-CG 4.21Å; Y264-R394 HydrophobicContact CE1-CB 3.17Å; Y264-R394 HydrophobicContact CE1-CG 4.34Å; Y264-R394 HydrophobicContact CE2-CB 4.41Å; Y264-R394 HydrophobicContact CG-CB 4.21Å; Y264-T395 WeakPolarHBondContact OH-CA 3.27Å; Y264-T395 PolarHBondContact OH-N 3.45Å; Y264-T395 PolarHBondContact OH-OG1 3.28Å; Y264-I398 HydrophobicContact CD1-CD1 3.82Å; Y264-I398 HydrophobicContact CE1-CD1 3.1Å; Y264-I398 HydrophobicContact CE1-CG1 3.91Å |
| 265 | S | 81.4 | Confident | 80.3 | Confident | 56 Ų | 56 | 27.7 Ų | 27.7 | 39% | 0.392 | 17% | 0.171 | S | C | . | . | I | π-helix | trans | -68.1 | -31.5 | -172.5 | -57.3 | 0 | 0 | 0 | 0 | 113.6 | D261 S262 A269 | D261-S265 WeakPolarHBondContact O-CB 3.38Å; D261-S265 PolarHBondContact O-N 3.4Å; D261-S265 PolarHBondContact O-OG 2.89Å; S262-S265 PolarHBondContact O-N 2.64Å; S265-A269 VanDerWaalsContact O-CB 3.31Å; S265-A269 WeakPolarHBondContact O-CB 3.46Å |
| 266 | H | 82 | Confident | 78.9 | Confident | 48 Ų | 48 | 35.4 Ų | 35.4 | 22% | 0.222 | 21% | 0.206 | C | C | . | . | I | π-helix | trans | -109.4 | -42.2 | -173.6 | -57.7 | 97.3 | 0 | 0 | 0 | 113.4 | F156 S262 Y264 L270 | F156-H266 HydrophobicContact CD1-CB 4.39Å; F156-H266 AromaticContact CD1-ND1 3.93Å; S262-H266 WeakPolarHBondContact O-CB 3.42Å; S262-H266 PolarHBondContact O-N 2.63Å; S262-H266 PolarHBondContact O-ND1 3.39Å; Y264-H266 VanDerWaalsContact C-N 3.34Å; Y264-H266 PolarHBondContact O-N 3.13Å; H266-L270 WeakPolarHBondContact O-CB 3.43Å |
| 267 | Y | 86.6 | Confident | 77.2 | Confident | 5 Ų | 5 | 39.3 Ų | 39.3 | 2% | 0.02 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -94.3 | -44.6 | -176.3 | -62.5 | -61.1 | 0 | 0 | 0 | 112.5 | F156 I160 I163 M227 V263 L270 C271 | F156-Y267 AromaticContact CD1-CE2 3.98Å; F156-Y267 HydrophobicContact CD1-CE2 3.98Å; F156-Y267 AromaticContact CE1-CD2 3.91Å; F156-Y267 HydrophobicContact CE1-CD2 3.91Å; F156-Y267 AromaticContact CE1-CE2 3.4Å; F156-Y267 HydrophobicContact CE1-CE2 3.4Å; F156-Y267 VanDerWaalsContact CE1-CE2 3.4Å; F156-Y267 AromaticContact CZ-CE2 3.97Å; F156-Y267 HydrophobicContact CZ-CE2 3.97Å; F156-Y267 PolarHBondContact O-OH 3.02Å; I160-Y267 HydrophobicContact CB-CE1 4.08Å; I160-Y267 HydrophobicContact CG1-CD1 4.21Å; I160-Y267 HydrophobicContact CG1-CE1 3.46Å; I160-Y267 VanDerWaalsContact CG1-CE1 3.46Å; I163-Y267 HydrophobicContact CD1-CD1 4.34Å; M227-Y267 HydrophobicContact CE-CD1 4.36Å; M227-Y267 HydrophobicContact CE-CG 4.11Å; V263-Y267 HydrophobicContact CB-CD2 4.47Å; V263-Y267 HydrophobicContact CG1-CD2 4.35Å; V263-Y267 HydrophobicContact CG2-CD2 4.39Å; V263-Y267 WeakPolarHBondContact O-CA 3.49Å; V263-Y267 WeakPolarHBondContact O-CB 3.35Å; V263-Y267 PolarHBondContact O-N 2.99Å; Y267-L270 PolarHBondContact O-N 2.99Å; Y267-C271 WeakPolarHBondContact O-CB 2.84Å; Y267-C271 PolarHBondContact O-N 3.09Å; Y267-C271 PolarHBondContact O-SG 3.11Å |
| 268 | V | 81.6 | Confident | 75.6 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | I | π-helix | trans | -69.2 | -46.1 | 179.3 | 179.4 | 0 | 0 | 0 | 0 | 110.3 | V263 Y264 L270 C271 C272 Y277 L322 I398 | V263-V268 HydrophobicContact CG1-CG2 4.5Å; V263-V268 PolarHBondContact O-N 3.37Å; Y264-V268 HydrophobicContact CD1-CB 4.11Å; Y264-V268 HydrophobicContact CD1-CG1 4.18Å; Y264-V268 HydrophobicContact CD1-CG2 3.83Å; Y264-V268 HydrophobicContact CE1-CG2 4.31Å; Y264-V268 HydrophobicContact CG-CG2 4.29Å; Y264-V268 WeakPolarHBondContact O-CB 3.23Å; Y264-V268 PolarHBondContact O-N 2.86Å; V268-L270 PolarHBondContact O-N 3.11Å; V268-C271 PolarHBondContact O-N 2.81Å; V268-C272 HydrophobicContact CG1-CB 4.41Å; V268-C272 CarbonylContact O-C 3.59Å; V268-C272 WeakPolarHBondContact O-CA 3.32Å; V268-C272 WeakPolarHBondContact O-CB 3.23Å; V268-C272 PolarHBondContact O-N 3.49Å; V268-Y277 HydrophobicContact CG1-CE1 4.25Å; V268-Y277 VanDerWaalsContact CG1-OH 3.24Å; V268-Y277 WeakPolarHBondContact CG1-OH 3.43Å; V268-L322 HydrophobicContact CG2-CD1 4.04Å; V268-L322 HydrophobicContact CG2-CD2 4.49Å; V268-I398 HydrophobicContact CB-CD1 4.17Å; V268-I398 HydrophobicContact CG1-CD1 3.58Å; V268-I398 HydrophobicContact CG1-CG1 3.8Å; V268-I398 HydrophobicContact CG2-CD1 3.48Å; V268-I398 VanDerWaalsContact CG2-CD1 3.48Å |
| 269 | A | 74.9 | Confident | 74.2 | Confident | 46 Ų | 46 | 40.8 Ų | 40.8 | 38% | 0.38 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -57.2 | -32 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y264 S265 | Y264-A269 PolarHBondContact O-N 3.08Å; S265-A269 VanDerWaalsContact O-CB 3.31Å; S265-A269 WeakPolarHBondContact O-CB 3.46Å |
| 270 | L | 76 | Confident | 72.3 | Confident | 24 Ų | 24 | 41.2 Ų | 41.2 | 13% | 0.126 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -84.1 | -43.7 | -179.8 | -175.9 | 58.8 | 0 | 0 | 0 | 113.4 | I163 V164 P166 H266 Y267 V268 | I163-L270 HydrophobicContact CG2-CD2 3.42Å; I163-L270 VanDerWaalsContact CG2-CD2 3.42Å; I163-L270 HydrophobicContact CG2-CG 4.08Å; V164-L270 WeakPolarHBondContact O-CD1 3.38Å; P166-L270 HydrophobicContact CG-CD1 4.16Å; H266-L270 WeakPolarHBondContact O-CB 3.43Å; Y267-L270 PolarHBondContact O-N 2.99Å; V268-L270 PolarHBondContact O-N 3.11Å |
| 271 | C | 76.7 | Confident | 70.3 | Confident | 10 Ų | 10 | 45.4 Ų | 45.4 | 7% | 0.068 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -84.2 | -24.4 | -175.2 | -53.4 | 0 | 0 | 0 | 0 | 112.1 | Y267 V268 P273 C318 V319 | Y267-C271 WeakPolarHBondContact O-CB 2.84Å; Y267-C271 PolarHBondContact O-N 3.09Å; Y267-C271 PolarHBondContact O-SG 3.11Å; V268-C271 PolarHBondContact O-N 2.81Å; C271-P273 VanDerWaalsContact C-CD 3.46Å; C271-C318 HydrophobicContact CB-CB 4.22Å; C271-C318 VanDerWaalsContact SG-CB 3.53Å; C271-V319 HydrophobicContact CB-CG2 3.69Å; C271-V319 WeakPolarHBondContact O-CG2 3.16Å |
| 272 | C | 72.8 | Confident | 68.6 | Low | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.034 | 26% | 0.257 | C | S | . | . | trans | -126.7 | 64.1 | 178.2 | -42.5 | 0 | 0 | 0 | 0 | 111.2 | V268 S274 V275 V319 | V268-C272 HydrophobicContact CG1-CB 4.41Å; V268-C272 CarbonylContact O-C 3.59Å; V268-C272 WeakPolarHBondContact O-CA 3.32Å; V268-C272 WeakPolarHBondContact O-CB 3.23Å; V268-C272 PolarHBondContact O-N 3.49Å; C272-S274 PolarHBondContact O-N 2.95Å; C272-S274 VanDerWaalsContact O-N 3.11Å; C272-V275 HydrophobicContact CB-CB 4.14Å; C272-V275 HydrophobicContact CB-CG2 3.32Å; C272-V275 WeakPolarHBondContact O-CB 3.5Å; C272-V275 PolarHBondContact O-N 3.34Å; C272-V319 VanDerWaalsContact SG-CB 3.56Å; C272-V319 WeakPolarHBondContact SG-CG2 3.45Å | ||
| 273 | P | 62.7 | Low | 66.8 | Low | 99 Ų | 99 | 46.6 Ų | 46.6 | 64% | 0.643 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -18.8 | -178.6 | 26 | -33.5 | 0 | 0 | 0 | 113.1 | C271 V275 | C271-P273 VanDerWaalsContact C-CD 3.46Å; P273-V275 VanDerWaalsContact C-N 3.27Å; P273-V275 PolarHBondContact O-N 3.2Å |
| 274 | S | 58.4 | Low | 64.6 | Low | 79 Ų | 79 | 47.5 Ų | 47.5 | 55% | 0.552 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -17.6 | 171.8 | 46.5 | 0 | 0 | 0 | 0 | 114.1 | C272 Q276 E401 | C272-S274 PolarHBondContact O-N 2.95Å; C272-S274 VanDerWaalsContact O-N 3.11Å; S274-Q276 PolarHBondContact O-N 2.86Å; S274-E401 PolarHBondContact OG-OE2 3.33Å |
| 275 | V | 60.9 | Low | 62.6 | Low | 15 Ų | 15 | 55.9 Ų | 55.9 | 9% | 0.091 | 31% | 0.305 | C | S | . | . | trans | -73.7 | 93.3 | -175.2 | 176.5 | 0 | 0 | 0 | 0 | 109.4 | C272 P273 Y277 E401 | C272-V275 HydrophobicContact CB-CB 4.14Å; C272-V275 HydrophobicContact CB-CG2 3.32Å; C272-V275 WeakPolarHBondContact O-CB 3.5Å; C272-V275 PolarHBondContact O-N 3.34Å; P273-V275 VanDerWaalsContact C-N 3.27Å; P273-V275 PolarHBondContact O-N 3.2Å; V275-Y277 HydrophobicContact CG1-CD1 3.7Å; V275-Y277 HydrophobicContact CG1-CE1 3.63Å; V275-Y277 HydrophobicContact CG1-CG 4.45Å; V275-Y277 PolarHBondContact O-N 3.42Å; V275-E401 HydrophobicContact CG2-CG 3.39Å | ||
| 276 | Q | 55.8 | Low | 60.8 | Low | 164 Ų | 164 | 56.6 Ų | 56.6 | 77% | 0.766 | 31% | 0.31 | S | S | * | . | trans | -69.5 | 108.8 | 159.8 | -67.5 | -175.1 | 2 | 0 | 0 | 107.5 | S274 F278 | S274-Q276 PolarHBondContact O-N 2.86Å; Q276-F278 PolarHBondContact O-N 3.45Å | ||
| 277 | Y | 54.7 | Low | 58.8 | Low | 82 Ų | 82 | 56.6 Ų | 56.6 | 32% | 0.322 | 31% | 0.313 | S | S | . | . | trans | -62.9 | 108.3 | 175.2 | -64.2 | -61.2 | 0 | 0 | 0 | 109 | Y264 V268 V275 N279 R394 | Y264-Y277 HydrophobicContact CD1-CE1 4.01Å; Y264-Y277 PolarHBondContact O-OH 2.82Å; V268-Y277 HydrophobicContact CG1-CE1 4.25Å; V268-Y277 VanDerWaalsContact CG1-OH 3.24Å; V268-Y277 WeakPolarHBondContact CG1-OH 3.43Å; V275-Y277 HydrophobicContact CG1-CD1 3.7Å; V275-Y277 HydrophobicContact CG1-CE1 3.63Å; V275-Y277 HydrophobicContact CG1-CG 4.45Å; V275-Y277 PolarHBondContact O-N 3.42Å; Y277-N279 PolarHBondContact O-N 2.64Å; Y277-R394 HydrophobicContact CD1-CB 3.71Å; Y277-R394 HydrophobicContact CD1-CG 3.43Å; Y277-R394 VanDerWaalsContact CD1-CG 3.43Å; Y277-R394 HydrophobicContact CE1-CB 3.8Å; Y277-R394 HydrophobicContact CE1-CG 3.78Å; Y277-R394 HydrophobicContact CG-CG 3.97Å | ||
| 278 | F | 54.7 | Low | 56.7 | Low | 58 Ų | 58 | 61.1 Ų | 61.1 | 25% | 0.254 | 35% | 0.346 | S | S | . | . | trans | -55.4 | 140.5 | 177.1 | -60.1 | -63.6 | 0 | 0 | 0 | 108.9 | Q276 V283 S393 S397 | Q276-F278 PolarHBondContact O-N 3.45Å; F278-V283 HydrophobicContact CB-CG2 3.76Å; F278-V283 HydrophobicContact CD1-CG2 3.59Å; F278-V283 HydrophobicContact CG-CG2 3.97Å; F278-S393 PolarHBondContact O-OG 3.28Å; F278-S397 WeakPolarHBondContact CD2-OG 3.42Å | ||
| 279 | N | 54.5 | Low | 54.8 | Low | 89 Ų | 89 | 63.8 Ų | 63.8 | 48% | 0.476 | 36% | 0.357 | S | S | . | . | trans | -88.7 | 112.6 | 154.1 | 170.1 | 3.5 | 0 | 0 | 0 | 105.2 | Y277 D281 T282 V283 | Y277-N279 PolarHBondContact O-N 2.64Å; N279-D281 PolarHBondContact O-N 2.96Å; N279-D281 VanDerWaalsContact O-N 3.1Å; N279-D281 PolarHBondContact OD1-N 3.41Å; N279-D281 VanDerWaalsContact OD1-N 3.14Å; N279-T282 WeakPolarHBondContact CB-OG1 3.35Å; N279-T282 WeakPolarHBondContact O-CA 3.29Å; N279-T282 PolarHBondContact O-N 2.84Å; N279-T282 PolarHBondContact O-OG1 3.43Å; N279-V283 PolarHBondContact O-N 3.32Å | ||
| 280 | I | 50.1 | Low | 53.4 | Low | 9 Ų | 9 | 66 Ų | 66 | 5% | 0.046 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -49.6 | -38.5 | -176.7 | -72.7 | 162.1 | 0 | 0 | 0 | 109.9 | V283 A284 L389 S393 Y396 F445 | I280-V283 PolarHBondContact O-N 2.9Å; I280-A284 WeakPolarHBondContact O-CB 3.23Å; I280-A284 PolarHBondContact O-N 3.06Å; I280-L389 HydrophobicContact CD1-CD1 4.25Å; I280-S393 VanDerWaalsContact CD1-CA 3.46Å; I280-S393 WeakPolarHBondContact CG1-OG 3.27Å; I280-Y396 HydrophobicContact CD1-CD2 4.19Å; I280-Y396 HydrophobicContact CD1-CE2 4.37Å; I280-F445 HydrophobicContact CG2-CD2 3.9Å; I280-F445 HydrophobicContact CG2-CE1 4.46Å; I280-F445 HydrophobicContact CG2-CE2 3.34Å; I280-F445 HydrophobicContact CG2-CZ 3.66Å |
| 281 | D | 47.3 | Very low | 51.8 | Low | 88 Ų | 88 | 66.4 Ų | 66.4 | 47% | 0.471 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68.8 | -38.6 | 179.3 | -74.5 | -28.9 | 0 | 0 | 0 | 113 | N279 K285 | N279-D281 PolarHBondContact O-N 2.96Å; N279-D281 VanDerWaalsContact O-N 3.1Å; N279-D281 PolarHBondContact OD1-N 3.41Å; N279-D281 VanDerWaalsContact OD1-N 3.14Å; D281-K285 WeakPolarHBondContact O-CB 3.35Å; D281-K285 WeakPolarHBondContact O-CG 3.24Å; D281-K285 PolarHBondContact O-N 3.48Å; D281-K285 VanDerWaalsContact O-N 3.12Å |
| 282 | T | 51.2 | Low | 50.1 | Low | 69 Ų | 69 | 70 Ų | 70 | 42% | 0.423 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.1 | -48.5 | 173.3 | 35.4 | 0 | 0 | 0 | 0 | 110.4 | N279 A284 K285 S286 | N279-T282 WeakPolarHBondContact CB-OG1 3.35Å; N279-T282 WeakPolarHBondContact O-CA 3.29Å; N279-T282 PolarHBondContact O-N 2.84Å; N279-T282 PolarHBondContact O-OG1 3.43Å; T282-A284 VanDerWaalsContact C-N 3.33Å; T282-A284 PolarHBondContact O-N 3.3Å; T282-K285 CarbonylContact O-C 3.58Å; T282-K285 PolarHBondContact O-N 2.87Å; T282-K285 VanDerWaalsContact O-N 3.09Å; T282-S286 VanDerWaalsContact O-CA 3.27Å; T282-S286 WeakPolarHBondContact O-CA 3.1Å; T282-S286 WeakPolarHBondContact O-CB 3.41Å; T282-S286 PolarHBondContact O-N 2.96Å; T282-S286 PolarHBondContact O-OG 2.95Å |
| 283 | V | 45.5 | Very low | 48.3 | Very low | 26 Ų | 26 | 73.4 Ų | 73.4 | 16% | 0.158 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 179.6 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | F278 N279 I280 K285 V287 L455 | F278-V283 HydrophobicContact CB-CG2 3.76Å; F278-V283 HydrophobicContact CD1-CG2 3.59Å; F278-V283 HydrophobicContact CG-CG2 3.97Å; N279-V283 PolarHBondContact O-N 3.32Å; I280-V283 PolarHBondContact O-N 2.9Å; V283-K285 VanDerWaalsContact C-N 3.3Å; V283-K285 PolarHBondContact O-N 3.3Å; V283-V287 HydrophobicContact CB-CG2 3.99Å; V283-V287 HydrophobicContact CG1-CG2 3.26Å; V283-V287 WeakPolarHBondContact O-CB 3.39Å; V283-V287 WeakPolarHBondContact O-CG2 3.26Å; V283-V287 PolarHBondContact O-N 3.3Å; V283-L455 HydrophobicContact CG1-CD1 4.48Å |
| 284 | A | 43.2 | Very low | 46.8 | Very low | 22 Ų | 22 | 78 Ų | 78 | 18% | 0.182 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -57.7 | -38.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | I280 T282 H451 | I280-A284 WeakPolarHBondContact O-CB 3.23Å; I280-A284 PolarHBondContact O-N 3.06Å; T282-A284 VanDerWaalsContact C-N 3.33Å; T282-A284 PolarHBondContact O-N 3.3Å; A284-H451 HydrophobicContact CB-CB 4.23Å; A284-H451 VanDerWaalsContact CB-CD2 3.41Å; A284-H451 WeakPolarHBondContact CB-CD2 3.4Å |
| 285 | K | 44.2 | Very low | 45.3 | Very low | 179 Ų | 179 | 78.7 Ų | 78.7 | 78% | 0.778 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -96.9 | -23.7 | -177 | -69.1 | 176.6 | 179.5 | 171.6 | 0 | 114.6 | D281 T282 V283 | D281-K285 WeakPolarHBondContact O-CB 3.35Å; D281-K285 WeakPolarHBondContact O-CG 3.24Å; D281-K285 PolarHBondContact O-N 3.48Å; D281-K285 VanDerWaalsContact O-N 3.12Å; T282-K285 CarbonylContact O-C 3.58Å; T282-K285 PolarHBondContact O-N 2.87Å; T282-K285 VanDerWaalsContact O-N 3.09Å; V283-K285 VanDerWaalsContact C-N 3.3Å; V283-K285 PolarHBondContact O-N 3.3Å |
| 286 | S | 42.4 | Very low | 43.7 | Very low | 71 Ų | 71 | 86.7 Ų | 86.7 | 50% | 0.497 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -123.3 | 3.7 | -166.9 | 88.2 | 0 | 0 | 0 | 0 | 113.3 | T282 S288 | T282-S286 VanDerWaalsContact O-CA 3.27Å; T282-S286 WeakPolarHBondContact O-CA 3.1Å; T282-S286 WeakPolarHBondContact O-CB 3.41Å; T282-S286 PolarHBondContact O-N 2.96Å; T282-S286 PolarHBondContact O-OG 2.95Å; S286-S288 PolarHBondContact O-N 3.3Å; S286-S288 PolarHBondContact O-OG 3.17Å |
| 287 | V | 41.5 | Very low | 42.3 | Very low | 47 Ų | 47 | 87.8 Ų | 87.8 | 29% | 0.285 | 46% | 0.463 | S | S | . | . | trans | -70.6 | 67.2 | 161.2 | 178.9 | 0 | 0 | 0 | 0 | 108 | V283 F289 F513 | V283-V287 HydrophobicContact CB-CG2 3.99Å; V283-V287 HydrophobicContact CG1-CG2 3.26Å; V283-V287 WeakPolarHBondContact O-CB 3.39Å; V283-V287 WeakPolarHBondContact O-CG2 3.26Å; V283-V287 PolarHBondContact O-N 3.3Å; V287-F289 HydrophobicContact CG1-CB 3.73Å; V287-F289 PolarHBondContact O-N 2.77Å; V287-F289 VanDerWaalsContact O-N 3.12Å; V287-F513 HydrophobicContact CG1-CD2 4.13Å; V287-F513 HydrophobicContact CG1-CE2 3.28Å; V287-F513 HydrophobicContact CG1-CZ 3.82Å | ||
| 288 | S | 40.9 | Very low | 41.1 | Very low | 100 Ų | 100 | 89.1 Ų | 89.1 | 70% | 0.699 | 49% | 0.485 | S | S | * | . | trans | -68.6 | 76.1 | 133.8 | 56.4 | 0 | 0 | 0 | 0 | 105.8 | S286 D290 | S286-S288 PolarHBondContact O-N 3.3Å; S286-S288 PolarHBondContact O-OG 3.17Å; S288-D290 PolarHBondContact O-N 2.95Å | ||
| 289 | F | 43 | Very low | 39.9 | Very low | 58 Ų | 58 | 90.6 Ų | 90.6 | 25% | 0.254 | 51% | 0.508 | S | S | . | . | trans | -62.1 | 97.7 | 154.2 | -154.7 | -95.1 | 0 | 0 | 0 | 103.7 | V287 P291 F513 H520 | V287-F289 HydrophobicContact CG1-CB 3.73Å; V287-F289 PolarHBondContact O-N 2.77Å; V287-F289 VanDerWaalsContact O-N 3.12Å; F289-P291 VanDerWaalsContact C-CD 3.45Å; F289-P291 HydrophobicContact CD1-CB 4.09Å; F289-P291 HydrophobicContact CD1-CG 4.39Å; F289-P291 HydrophobicContact CE1-CB 4.06Å; F289-P291 WeakPolarHBondContact O-CD 3.35Å; F289-F513 HydrophobicContact CB-CE2 3.75Å; F289-F513 HydrophobicContact CB-CZ 4.49Å; F289-F513 HydrophobicContact CG-CE2 4.43Å; F289-H520 HydrophobicContact CE1-CB 4.17Å; F289-H520 AromaticContact CE1-CD2 3.99Å; F289-H520 AromaticContact CE1-CG 3.8Å | ||
| 290 | D | 45.4 | Very low | 38.6 | Very low | 93 Ų | 93 | 90.8 Ų | 90.8 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | trans | -98.6 | 88.8 | 168.8 | -158 | 1.7 | 0 | 0 | 0 | 105.6 | S288 F292 C293 | S288-D290 PolarHBondContact O-N 2.95Å; D290-F292 PolarHBondContact O-N 3.14Å; D290-C293 HydrophobicContact CB-CB 4.37Å; D290-C293 PolarHBondContact O-N 3.04Å | ||
| 291 | P | 42.7 | Very low | 37.6 | Very low | 32 Ų | 32 | 97.6 Ų | 97.6 | 21% | 0.208 | 56% | 0.556 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -61 | -8.4 | -174.8 | 24.1 | -32.5 | 0 | 0 | 0 | 113 | F289 H520 | F289-P291 VanDerWaalsContact C-CD 3.45Å; F289-P291 HydrophobicContact CD1-CB 4.09Å; F289-P291 HydrophobicContact CD1-CG 4.39Å; F289-P291 HydrophobicContact CE1-CB 4.06Å; F289-P291 WeakPolarHBondContact O-CD 3.35Å; P291-H520 HydrophobicContact CB-CB 3.95Å |
| 292 | F | 40.1 | Very low | 36.8 | Very low | 85 Ų | 85 | 97.5 Ų | 97.5 | 37% | 0.373 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.7 | -2.6 | 179.2 | -58.8 | -73.7 | 0 | 0 | 0 | 114.4 | D290 E294 | D290-F292 PolarHBondContact O-N 3.14Å; F292-E294 PolarHBondContact O-N 3.14Å; F292-E294 VanDerWaalsContact O-N 3.11Å |
| 293 | C | 35.4 | Very low | 35.9 | Very low | 77 Ų | 77 | 100.8 Ų | 100.8 | 52% | 0.52 | 58% | 0.583 | S | S | . | * | trans | -82.5 | 88.8 | 176.7 | -150 | 0 | 0 | 0 | 0 | 109.9 | D290 S295 | D290-C293 HydrophobicContact CB-CB 4.37Å; D290-C293 PolarHBondContact O-N 3.04Å; C293-S295 PolarHBondContact O-N 3.44Å; C293-S295 PolarHBondContact SG-OG 2.9Å; C293-S295 VanDerWaalsContact SG-OG 3.33Å | ||
| 294 | E | 30.8 | Very low | 35.3 | Very low | 196 Ų | 196 | 103.1 Ų | 103.1 | 92% | 0.916 | 61% | 0.612 | S | S | * | * | trans | -70.3 | 10.9 | 173.5 | -74.2 | -169.8 | 158.1 | 0 | 0 | 113.8 | F292 E296 | F292-E294 PolarHBondContact O-N 3.14Å; F292-E294 VanDerWaalsContact O-N 3.11Å; E294-E296 VanDerWaalsContact C-N 3.32Å; E294-E296 PolarHBondContact O-N 3.31Å | ||
| 295 | S | 26.4 | Very low | 34.8 | Very low | 92 Ų | 92 | 108 Ų | 108 | 64% | 0.643 | 63% | 0.631 | S | S | * | * | trans | -93.2 | 49.7 | 177.2 | 75 | 0 | 0 | 0 | 0 | 112.9 | C293 | C293-S295 PolarHBondContact O-N 3.44Å; C293-S295 PolarHBondContact SG-OG 2.9Å; C293-S295 VanDerWaalsContact SG-OG 3.33Å | ||
| 296 | E | 29 | Very low | 34.1 | Very low | 183 Ų | 183 | 108.7 Ų | 108.7 | 86% | 0.855 | 64% | 0.637 | S | S | * | * | trans | -111.7 | 91 | 149.3 | -77.1 | -166.3 | 168.4 | 0 | 0 | 106.6 | E294 S298 | E294-E296 VanDerWaalsContact C-N 3.32Å; E294-E296 PolarHBondContact O-N 3.31Å; E296-S298 PolarHBondContact O-N 3.36Å | ||
| 297 | Q | 26 | Very low | 33.9 | Very low | 187 Ų | 187 | 111.5 Ų | 111.5 | 87% | 0.874 | 64% | 0.638 | S | S | * | * | trans | -45.6 | 112.5 | 162.7 | -72.7 | 174.3 | -7.5 | 0 | 0 | 106.5 | A299 | Q297-A299 VanDerWaalsContact C-N 3.32Å; Q297-A299 PolarHBondContact O-N 2.95Å | ||
| 298 | S | 28.4 | Very low | 33.9 | Very low | 110 Ų | 110 | 114.4 Ų | 114.4 | 77% | 0.769 | 66% | 0.656 | S | S | * | * | trans | -47.5 | 106.3 | 165.9 | 55.3 | 0 | 0 | 0 | 0 | 105.8 | E296 A300 | E296-S298 PolarHBondContact O-N 3.36Å; S298-A300 PolarHBondContact O-N 3.5Å | ||
| 299 | A | 29.2 | Very low | 34.4 | Very low | 89 Ų | 89 | 116.7 Ų | 116.7 | 74% | 0.736 | 66% | 0.66 | S | S | * | * | trans | -53.1 | 110.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 105.4 | Q297 I301 | Q297-A299 VanDerWaalsContact C-N 3.32Å; Q297-A299 PolarHBondContact O-N 2.95Å; A299-I301 PolarHBondContact O-N 3.48Å | ||
| 300 | A | 26.9 | Very low | 34.8 | Very low | 93 Ų | 93 | 119.8 Ų | 119.8 | 77% | 0.769 | 68% | 0.676 | S | S | * | * | trans | -55.4 | 109.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | S298 P302 | S298-A300 PolarHBondContact O-N 3.5Å; A300-P302 WeakPolarHBondContact O-CD 3.33Å; A300-P302 VanDerWaalsContact O-N 3.09Å | ||
| 301 | I | 30.3 | Very low | 35.4 | Very low | 152 Ų | 152 | 115.9 Ų | 115.9 | 78% | 0.779 | 66% | 0.657 | S | S | * | * | trans | -54.9 | 120.1 | 174.9 | -60.8 | 169.6 | 0 | 0 | 0 | 104.9 | A299 | A299-I301 PolarHBondContact O-N 3.48Š| ||
| 302 | P | 30.8 | Very low | 36.6 | Very low | 87 Ų | 87 | 116.9 Ų | 116.9 | 57% | 0.565 | 66% | 0.661 | S | S | * | * | trans | -57.7 | 127 | -173.1 | 19.5 | -29.5 | 0 | 0 | 0 | 109 | A300 G304 | A300-P302 WeakPolarHBondContact O-CD 3.33Å; A300-P302 VanDerWaalsContact O-N 3.09Å; P302-G304 PolarHBondContact O-N 2.89Å | ||
| 303 | P | 32.3 | Very low | 38.2 | Very low | 138 Ų | 138 | 117.7 Ų | 117.7 | 90% | 0.896 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 102.2 | -178.2 | 28.8 | -31.2 | 0 | 0 | 0 | 107.5 | ||
| 304 | G | 32.1 | Very low | 40.2 | Very low | 74 Ų | 74 | 115.1 Ų | 115.1 | 76% | 0.763 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 162.7 | -14.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | P302 Q306 | P302-G304 PolarHBondContact O-N 2.89Å; G304-Q306 PolarHBondContact O-N 3.38Å |
| 305 | Q | 33.7 | Very low | 42.4 | Very low | 124 Ų | 124 | 107.4 Ų | 107.4 | 58% | 0.579 | 61% | 0.608 | S | S | * | * | trans | -98.8 | 85.7 | 171.8 | -79.3 | 179 | -22.1 | 0 | 0 | 110.2 | Y307 | Q305-Y307 HydrophobicContact CB-CD2 3.99Å; Q305-Y307 HydrophobicContact CB-CE2 3.57Å; Q305-Y307 VanDerWaalsContact CD-OH 3.29Å; Q305-Y307 HydrophobicContact CG-CE2 4.31Å; Q305-Y307 PolarHBondContact O-N 3.34Å; Q305-Y307 PolarHBondContact OE1-OH 2.92Å | ||
| 306 | Q | 29.4 | Very low | 44.8 | Very low | 194 Ų | 194 | 108.4 Ų | 108.4 | 91% | 0.907 | 60% | 0.598 | S | S | * | * | trans | -68.7 | 88.4 | 159.8 | -76.3 | 177.9 | -18.9 | 0 | 0 | 107.7 | G304 T308 | G304-Q306 PolarHBondContact O-N 3.38Å; Q306-T308 PolarHBondContact O-N 3.14Å | ||
| 307 | Y | 38 | Very low | 47.3 | Very low | 131 Ų | 131 | 100.5 Ų | 100.5 | 51% | 0.514 | 56% | 0.561 | S | S | . | * | trans | -65 | 119.6 | 164.3 | -70.6 | -82.4 | 0 | 0 | 0 | 107.1 | Q305 D309 | Q305-Y307 HydrophobicContact CB-CD2 3.99Å; Q305-Y307 HydrophobicContact CB-CE2 3.57Å; Q305-Y307 VanDerWaalsContact CD-OH 3.29Å; Q305-Y307 HydrophobicContact CG-CE2 4.31Å; Q305-Y307 PolarHBondContact O-N 3.34Å; Q305-Y307 PolarHBondContact OE1-OH 2.92Å; Y307-D309 PolarHBondContact O-N 3.48Å | ||
| 308 | T | 41.6 | Very low | 50.1 | Low | 107 Ų | 107 | 91.6 Ų | 91.6 | 66% | 0.656 | 52% | 0.519 | S | S | * | . | trans | -62.4 | 129 | 175.7 | 49.8 | 0 | 0 | 0 | 0 | 109.2 | Q306 E310 G311 | Q306-T308 PolarHBondContact O-N 3.14Å; T308-E310 PolarHBondContact O-N 2.86Å; T308-G311 PolarHBondContact O-N 3.27Å | ||
| 309 | D | 50.8 | Low | 52.9 | Low | 148 Ų | 148 | 87 Ų | 87 | 79% | 0.791 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -42.4 | -35.2 | -177.7 | -102.5 | -29.9 | 0 | 0 | 0 | 114.3 | Y307 G311 | Y307-D309 PolarHBondContact O-N 3.48Å; D309-G311 PolarHBondContact O-N 3.14Å |
| 310 | E | 51.6 | Low | 55.6 | Low | 123 Ų | 123 | 83.5 Ų | 83.5 | 58% | 0.575 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -65.2 | -34.4 | -179.4 | -66 | -168.2 | 171.6 | 0 | 0 | 114 | T308 D312 E313 Y314 | T308-E310 PolarHBondContact O-N 2.86Å; E310-D312 PolarHBondContact O-N 2.85Å; E310-E313 PolarHBondContact O-N 3.27Å; E310-Y314 HydrophobicContact CB-CE2 4.43Å; E310-Y314 WeakPolarHBondContact O-CD2 3.21Å; E310-Y314 WeakPolarHBondContact O-CE2 3.49Å |
| 311 | G | 58.8 | Low | 58.5 | Low | 11 Ų | 11 | 79.1 Ų | 79.1 | 11% | 0.113 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -70.7 | -31.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | T308 D309 R315 | T308-G311 PolarHBondContact O-N 3.27Å; D309-G311 PolarHBondContact O-N 3.14Å; G311-R315 PolarHBondContact O-N 3.12Å |
| 312 | D | 67.2 | Low | 61.3 | Low | 53 Ų | 53 | 72 Ų | 72 | 28% | 0.283 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -73.3 | -31.6 | 178.6 | -91.3 | -1.7 | 0 | 0 | 0 | 112.3 | E310 R315 R316 | E310-D312 PolarHBondContact O-N 2.85Å; D312-R315 PolarHBondContact O-N 3.44Å; D312-R316 VanDerWaalsContact O-CG 3.29Å; D312-R316 WeakPolarHBondContact O-CG 3.28Å; D312-R316 PolarHBondContact O-N 3.15Å |
| 313 | E | 73.1 | Confident | 64.1 | Low | 103 Ų | 103 | 67.9 Ų | 67.9 | 48% | 0.481 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61 | -50 | 177.4 | -169.5 | -175.8 | 168 | 0 | 0 | 111.2 | E310 R315 R316 I317 | E310-E313 PolarHBondContact O-N 3.27Å; E313-R315 PolarHBondContact O-N 3.08Å; E313-R316 PolarHBondContact O-N 2.74Å; E313-I317 HydrophobicContact CG-CD1 4.29Å; E313-I317 WeakPolarHBondContact O-CG1 3.21Å; E313-I317 PolarHBondContact O-N 3.43Å; E313-I317 VanDerWaalsContact O-N 3.09Å |
| 314 | Y | 78.2 | Confident | 66.7 | Low | 22 Ų | 22 | 61.8 Ų | 61.8 | 9% | 0.086 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.6 | -38.6 | -179.8 | -55.7 | -55.6 | 0 | 0 | 0 | 112.5 | N162 K219 A220 E310 I317 C318 | N162-Y314 HydrophobicContact CB-CD1 4.2Å; N162-Y314 HydrophobicContact CB-CD2 3.96Å; N162-Y314 HydrophobicContact CB-CE1 4.33Å; N162-Y314 HydrophobicContact CB-CE2 4.1Å; N162-Y314 HydrophobicContact CB-CG 4.04Å; N162-Y314 WeakPolarHBondContact O-CD2 3.34Å; K219-Y314 HydrophobicContact CB-CE1 3.71Å; K219-Y314 WeakPolarHBondContact CB-OH 2.93Å; K219-Y314 WeakPolarHBondContact CD-OH 3.36Å; A220-Y314 HydrophobicContact CB-CE1 4.33Å; E310-Y314 HydrophobicContact CB-CE2 4.43Å; E310-Y314 WeakPolarHBondContact O-CD2 3.21Å; E310-Y314 WeakPolarHBondContact O-CE2 3.49Å; Y314-I317 PolarHBondContact O-N 2.91Å; Y314-C318 PolarHBondContact O-N 3.09Å; Y314-C318 PolarHBondContact O-SG 2.81Å; Y314-C318 VanDerWaalsContact O-SG 3.4Å |
| 315 | R | 77.5 | Confident | 69.4 | Low | 34 Ų | 34 | 58.4 Ų | 58.4 | 13% | 0.128 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.8 | -46.9 | 175.1 | -74.9 | 179.3 | 178 | 177.1 | -1.9 | 111.2 | V164 G311 D312 E313 I317 C318 V319 | V164-R315 PolarHBondContact O-NH2 3.42Å; G311-R315 PolarHBondContact O-N 3.12Å; D312-R315 PolarHBondContact O-N 3.44Å; E313-R315 PolarHBondContact O-N 3.08Å; R315-I317 VanDerWaalsContact C-N 3.34Å; R315-I317 PolarHBondContact O-N 3Å; R315-C318 WeakPolarHBondContact O-CB 3.43Å; R315-C318 PolarHBondContact O-N 2.92Å; R315-C318 VanDerWaalsContact O-N 3.13Å; R315-V319 WeakPolarHBondContact O-CG2 3.46Å; R315-V319 PolarHBondContact O-N 3.34Å |
| 316 | R | 76.7 | Confident | 72 | Confident | 114 Ų | 114 | 52.5 Ų | 52.5 | 43% | 0.43 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.5 | -41.3 | 178.4 | -71.4 | 174.3 | -166 | -176.6 | 8.4 | 112.3 | D312 E313 C318 V319 H320 | D312-R316 VanDerWaalsContact O-CG 3.29Å; D312-R316 WeakPolarHBondContact O-CG 3.28Å; D312-R316 PolarHBondContact O-N 3.15Å; E313-R316 PolarHBondContact O-N 2.74Å; R316-C318 VanDerWaalsContact C-N 3.34Å; R316-C318 PolarHBondContact O-N 3.04Å; R316-V319 PolarHBondContact O-N 3.06Å; R316-H320 WeakPolarHBondContact O-CB 3.34Å; R316-H320 PolarHBondContact O-N 3.09Å |
| 317 | I | 81.6 | Confident | 74.7 | Confident | 16 Ų | 16 | 43.3 Ų | 43.3 | 8% | 0.082 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.5 | -45.9 | 174.3 | -68.3 | 166.1 | 0 | 0 | 0 | 110.6 | A220 Q224 E313 Y314 R315 H320 V321 | A220-I317 HydrophobicContact CB-CD1 3.42Å; A220-I317 VanDerWaalsContact CB-CD1 3.42Å; Q224-I317 HydrophobicContact CB-CG2 3.56Å; Q224-I317 HydrophobicContact CG-CG2 3.8Å; E313-I317 HydrophobicContact CG-CD1 4.29Å; E313-I317 WeakPolarHBondContact O-CG1 3.21Å; E313-I317 PolarHBondContact O-N 3.43Å; E313-I317 VanDerWaalsContact O-N 3.09Å; Y314-I317 PolarHBondContact O-N 2.91Å; R315-I317 VanDerWaalsContact C-N 3.34Å; R315-I317 PolarHBondContact O-N 3Å; I317-H320 WeakPolarHBondContact O-CB 3.41Å; I317-H320 PolarHBondContact O-N 3.01Å; I317-V321 WeakPolarHBondContact O-CG2 3.43Å; I317-V321 PolarHBondContact O-N 3.26Å |
| 318 | C | 84.9 | Confident | 76.9 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.1 | -43.6 | 177.7 | -71.7 | 0 | 0 | 0 | 0 | 112.6 | I163 M227 C271 Y314 R315 R316 H320 V321 L322 | I163-C318 VanDerWaalsContact CD1-SG 3.55Å; M227-C318 HydrophobicContact CE-CB 3.85Å; C271-C318 HydrophobicContact CB-CB 4.22Å; C271-C318 VanDerWaalsContact SG-CB 3.53Å; Y314-C318 PolarHBondContact O-N 3.09Å; Y314-C318 PolarHBondContact O-SG 2.81Å; Y314-C318 VanDerWaalsContact O-SG 3.4Å; R315-C318 WeakPolarHBondContact O-CB 3.43Å; R315-C318 PolarHBondContact O-N 2.92Å; R315-C318 VanDerWaalsContact O-N 3.13Å; R316-C318 VanDerWaalsContact C-N 3.34Å; R316-C318 PolarHBondContact O-N 3.04Å; C318-H320 VanDerWaalsContact C-N 3.34Å; C318-H320 PolarHBondContact O-N 3.33Å; C318-V321 PolarHBondContact O-N 3.49Å; C318-L322 WeakPolarHBondContact O-CB 3.42Å; C318-L322 WeakPolarHBondContact O-CG 3.37Å; C318-L322 PolarHBondContact O-N 2.99Å |
| 319 | V | 85.6 | Confident | 79.1 | Confident | 15 Ų | 15 | 33.9 Ų | 33.9 | 9% | 0.091 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67 | -37.8 | 177.3 | 107.1 | 0 | 0 | 0 | 0 | 111.5 | C271 C272 R315 R316 V321 L322 I323 L405 | C271-V319 HydrophobicContact CB-CG2 3.69Å; C271-V319 WeakPolarHBondContact O-CG2 3.16Å; C272-V319 VanDerWaalsContact SG-CB 3.56Å; C272-V319 WeakPolarHBondContact SG-CG2 3.45Å; R315-V319 WeakPolarHBondContact O-CG2 3.46Å; R315-V319 PolarHBondContact O-N 3.34Å; R316-V319 PolarHBondContact O-N 3.06Å; V319-V321 PolarHBondContact O-N 2.93Å; V319-L322 PolarHBondContact O-N 3.16Å; V319-I323 HydrophobicContact CG1-CD1 3.87Å; V319-I323 WeakPolarHBondContact O-CB 3.29Å; V319-I323 WeakPolarHBondContact O-CD1 3.29Å; V319-I323 WeakPolarHBondContact O-CG1 3.47Å; V319-I323 PolarHBondContact O-N 2.83Å; V319-L405 HydrophobicContact CG1-CD2 3.43Å; V319-L405 VanDerWaalsContact CG1-CD2 3.43Å; V319-L405 HydrophobicContact CG1-CG 4.46Å |
| 320 | H | 85.7 | Confident | 80.6 | Confident | 14 Ų | 14 | 26.9 Ų | 26.9 | 7% | 0.065 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -56 | -48.8 | 173.6 | 167.8 | 82.6 | 0 | 0 | 0 | 112 | R316 I317 C318 R324 H409 T412 | R316-H320 WeakPolarHBondContact O-CB 3.34Å; R316-H320 PolarHBondContact O-N 3.09Å; I317-H320 WeakPolarHBondContact O-CB 3.41Å; I317-H320 PolarHBondContact O-N 3.01Å; C318-H320 VanDerWaalsContact C-N 3.34Å; C318-H320 PolarHBondContact O-N 3.33Å; H320-R324 WeakPolarHBondContact O-CB 3.39Å; H320-R324 PolarHBondContact O-N 3.48Å; H320-H409 AromaticContact CD2-ND1 3.96Å; H320-H409 AromaticContact CE1-ND1 3.44Å; H320-H409 PolarHBondContact CE1-ND1 3.36Å; H320-H409 AromaticContact CG-CE1 3.92Å; H320-H409 AromaticContact CG-CG 3.98Å; H320-H409 AromaticContact CG-ND1 3.48Å; H320-H409 AromaticContact ND1-CG 3.44Å; H320-H409 AromaticContact ND1-ND1 3.15Å; H320-H409 PolarHBondContact ND1-ND1 3.01Å; H320-H409 VanDerWaalsContact ND1-ND1 3.15Å; H320-H409 AromaticContact NE2-ND1 3.97Å; H320-T412 PolarHBondContact CE1-OG1 3.07Å; H320-T412 PolarHBondContact ND1-OG1 3.44Å; H320-T412 VanDerWaalsContact ND1-OG1 3.08Å |
| 321 | V | 88.6 | Confident | 81.9 | Confident | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.006 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.6 | -43.5 | 178.9 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | Q224 M227 E228 L231 I317 C318 V319 R324 W325 | Q224-V321 HydrophobicContact CG-CG2 3.58Å; M227-V321 HydrophobicContact CB-CG1 4.14Å; M227-V321 HydrophobicContact CG-CB 4.05Å; M227-V321 HydrophobicContact CG-CG1 3.69Å; E228-V321 HydrophobicContact CB-CG1 4.43Å; E228-V321 HydrophobicContact CG-CG1 3.57Å; E228-V321 HydrophobicContact CG-CG2 4.12Å; L231-V321 HydrophobicContact CD1-CG1 3.92Å; I317-V321 WeakPolarHBondContact O-CG2 3.43Å; I317-V321 PolarHBondContact O-N 3.26Å; C318-V321 PolarHBondContact O-N 3.49Å; V319-V321 PolarHBondContact O-N 2.93Å; V321-R324 PolarHBondContact O-N 2.77Å; V321-W325 WeakPolarHBondContact O-CB 3.22Å; V321-W325 PolarHBondContact O-N 2.93Å |
| 322 | L | 89.1 | Confident | 82.3 | Confident | 3 Ų | 3 | 22.4 Ų | 22.4 | 2% | 0.016 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.5 | -47.3 | 177.7 | -76.9 | 163.8 | 0 | 0 | 0 | 112 | M227 L231 V263 V268 C318 V319 R324 W325 I326 | M227-L322 HydrophobicContact CE-CD1 3.7Å; M227-L322 HydrophobicContact CE-CD2 4.08Å; M227-L322 HydrophobicContact CE-CG 3.78Å; L231-L322 HydrophobicContact CD1-CD2 3.93Å; L231-L322 HydrophobicContact CD1-CG 4.48Å; L231-L322 HydrophobicContact CD2-CD2 4.02Å; V263-L322 HydrophobicContact CG1-CD2 3.67Å; V268-L322 HydrophobicContact CG2-CD1 4.04Å; V268-L322 HydrophobicContact CG2-CD2 4.49Å; C318-L322 WeakPolarHBondContact O-CB 3.42Å; C318-L322 WeakPolarHBondContact O-CG 3.37Å; C318-L322 PolarHBondContact O-N 2.99Å; V319-L322 PolarHBondContact O-N 3.16Å; L322-R324 VanDerWaalsContact C-N 3.35Å; L322-R324 PolarHBondContact O-N 2.77Å; L322-W325 PolarHBondContact O-N 2.77Å; L322-I326 WeakPolarHBondContact O-CG1 3.34Å; L322-I326 PolarHBondContact O-N 2.79Å |
| 323 | I | 89 | Confident | 82.1 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.8 | -43.9 | 178.2 | -69 | 164.3 | 0 | 0 | 0 | 110.3 | V319 W325 I326 A327 I398 E401 L405 T412 V416 | V319-I323 HydrophobicContact CG1-CD1 3.87Å; V319-I323 WeakPolarHBondContact O-CB 3.29Å; V319-I323 WeakPolarHBondContact O-CD1 3.29Å; V319-I323 WeakPolarHBondContact O-CG1 3.47Å; V319-I323 PolarHBondContact O-N 2.83Å; I323-W325 VanDerWaalsContact C-N 3.35Å; I323-W325 PolarHBondContact O-N 3.33Å; I323-I326 PolarHBondContact O-N 3.26Å; I323-A327 VanDerWaalsContact O-CB 3.27Å; I323-A327 WeakPolarHBondContact O-CB 3.42Å; I323-A327 PolarHBondContact O-N 3.2Å; I323-I398 HydrophobicContact CG1-CG2 3.51Å; I323-E401 HydrophobicContact CD1-CB 4.3Å; I323-L405 HydrophobicContact CD1-CD1 3.86Å; I323-L405 HydrophobicContact CD1-CD2 4.49Å; I323-L405 HydrophobicContact CD1-CG 4.19Å; I323-T412 HydrophobicContact CB-CG2 4Å; I323-T412 HydrophobicContact CG2-CG2 3.43Å; I323-T412 VanDerWaalsContact CG2-CG2 3.43Å; I323-V416 HydrophobicContact CG2-CG2 3.52Å |
| 324 | R | 87 | Confident | 81.2 | Confident | 11 Ų | 11 | 28.4 Ų | 28.4 | 4% | 0.042 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.2 | -42.2 | 178.7 | -175.3 | 173.2 | 177.6 | 130.7 | 7.1 | 111.8 | H320 V321 L322 A327 L328 T412 I776 M777 T779 D781 | H320-R324 WeakPolarHBondContact O-CB 3.39Å; H320-R324 PolarHBondContact O-N 3.48Å; V321-R324 PolarHBondContact O-N 2.77Å; L322-R324 VanDerWaalsContact C-N 3.35Å; L322-R324 PolarHBondContact O-N 2.77Å; R324-A327 PolarHBondContact O-N 2.72Å; R324-L328 PolarHBondContact O-N 3.49Å; R324-T412 HydrophobicContact CB-CG2 4.44Å; R324-I776 HydrophobicContact CG-CG2 4.11Å; R324-I776 PolarHBondContact NE-O 3.48Å; R324-I776 PolarHBondContact NH2-O 2.99Å; R324-M777 VanDerWaalsContact NH1-CE 3.28Å; R324-T779 PolarHBondContact NH2-OG1 3.18Å; R324-D781 IonicContact CZ-OD2 2.87Å; R324-D781 IonicContact NH1-OD2 3.87Å; R324-D781 PolarHBondContact NH1-OD2 3.19Å; R324-D781 IonicContact NH2-OD1 3.62Å; R324-D781 IonicContact NH2-OD2 3.53Å; R324-D781 PolarHBondContact NH2-OD2 3.11Å |
| 325 | W | 89.2 | Confident | 79.3 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.4 | -46.9 | 174.5 | 175.8 | 76 | 0 | 0 | 0 | 111.7 | L231 I260 V321 L322 I323 A327 L328 Y329 V381 L385 | L231-W325 HydrophobicContact CB-CD2 4.11Å; L231-W325 HydrophobicContact CB-CG 3.87Å; L231-W325 HydrophobicContact CD1-CB 3.75Å; L231-W325 HydrophobicContact CD1-CD2 4.16Å; L231-W325 HydrophobicContact CD1-CE3 4.43Å; L231-W325 HydrophobicContact CD1-CG 3.85Å; L231-W325 HydrophobicContact CD2-CD2 4.06Å; L231-W325 HydrophobicContact CD2-CE3 4.04Å; L231-W325 HydrophobicContact CD2-CZ3 4.36Å; L231-W325 HydrophobicContact CG-CD2 4.34Å; L231-W325 HydrophobicContact CG-CG 4.31Å; L231-W325 PolarHBondContact O-NE1 3.08Å; I260-W325 HydrophobicContact CD1-CH2 4.36Å; I260-W325 HydrophobicContact CG1-CH2 4.17Å; V321-W325 WeakPolarHBondContact O-CB 3.22Å; V321-W325 PolarHBondContact O-N 2.93Å; L322-W325 PolarHBondContact O-N 2.77Å; I323-W325 VanDerWaalsContact C-N 3.35Å; I323-W325 PolarHBondContact O-N 3.33Å; W325-A327 PolarHBondContact O-N 3.29Å; W325-L328 WeakPolarHBondContact O-CB 3.39Å; W325-L328 PolarHBondContact O-N 2.86Å; W325-Y329 AromaticContact CD1-CE2 3.65Å; W325-Y329 HydrophobicContact CG-CE2 4.5Å; W325-Y329 AromaticContact NE1-CD2 3.81Å; W325-Y329 AromaticContact NE1-CE2 3.31Å; W325-Y329 VanDerWaalsContact NE1-CE2 3.31Å; W325-Y329 WeakPolarHBondContact O-CD2 3.49Å; W325-Y329 PolarHBondContact O-N 2.79Å; W325-V381 HydrophobicContact CZ2-CG1 4.35Å; W325-L385 HydrophobicContact CH2-CD1 4.29Å; W325-L385 HydrophobicContact CH2-CD2 4.27Å; W325-L385 HydrophobicContact CZ3-CD1 4.49Å; W325-L385 HydrophobicContact CZ3-CD2 4.34Å |
| 326 | I | 88.7 | Confident | 77.1 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61 | -46.9 | 175.9 | -70.3 | 169.9 | 0 | 0 | 0 | 110.9 | L322 I323 L328 Y329 A330 T395 I398 L399 | L322-I326 WeakPolarHBondContact O-CG1 3.34Å; L322-I326 PolarHBondContact O-N 2.79Å; I323-I326 PolarHBondContact O-N 3.26Å; I326-L328 VanDerWaalsContact C-N 3.27Å; I326-L328 PolarHBondContact O-N 2.93Å; I326-Y329 PolarHBondContact O-N 3.21Å; I326-A330 WeakPolarHBondContact O-CB 3.37Å; I326-A330 PolarHBondContact O-N 2.66Å; I326-T395 HydrophobicContact CG2-CG2 3.42Å; I326-T395 VanDerWaalsContact CG2-CG2 3.42Å; I326-I398 HydrophobicContact CD1-CB 3.89Å; I326-I398 HydrophobicContact CD1-CD1 3.67Å; I326-I398 HydrophobicContact CD1-CG1 4.41Å; I326-I398 HydrophobicContact CD1-CG2 3.61Å; I326-L399 HydrophobicContact CG2-CD1 4.43Å; I326-L399 HydrophobicContact CG2-CD2 3.79Å; I326-L399 HydrophobicContact CG2-CG 4.02Å |
| 327 | A | 86.1 | Confident | 74.9 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.9 | -36.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I323 R324 W325 A330 S331 R415 V416 V419 | I323-A327 VanDerWaalsContact O-CB 3.27Å; I323-A327 WeakPolarHBondContact O-CB 3.42Å; I323-A327 PolarHBondContact O-N 3.2Å; R324-A327 PolarHBondContact O-N 2.72Å; W325-A327 PolarHBondContact O-N 3.29Å; A327-A330 PolarHBondContact O-N 2.7Å; A327-S331 PolarHBondContact O-N 3.07Å; A327-R415 HydrophobicContact CB-CG 4.01Å; A327-V416 HydrophobicContact CB-CG2 3.91Å; A327-V419 HydrophobicContact CB-CG2 4.48Å |
| 328 | L | 85.1 | Confident | 72.7 | Confident | 32 Ų | 32 | 44 Ų | 44 | 17% | 0.168 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.4 | -53.7 | 174.3 | 177.1 | 64.9 | 0 | 0 | 0 | 111.2 | R324 W325 I326 A330 S331 P375 Y378 | R324-L328 PolarHBondContact O-N 3.49Å; W325-L328 WeakPolarHBondContact O-CB 3.39Å; W325-L328 PolarHBondContact O-N 2.86Å; I326-L328 VanDerWaalsContact C-N 3.27Å; I326-L328 PolarHBondContact O-N 2.93Å; L328-A330 VanDerWaalsContact C-N 3.28Å; L328-A330 PolarHBondContact O-N 3.49Å; L328-S331 PolarHBondContact O-N 3.35Å; L328-S331 PolarHBondContact O-OG 3.41Å; L328-P375 HydrophobicContact CD1-CG 4.5Å; L328-P375 HydrophobicContact CD2-CG 3.99Å; L328-P375 HydrophobicContact CG-CG 4.39Å; L328-Y378 WeakPolarHBondContact O-CE2 3.22Å; L328-Y378 PolarHBondContact O-OH 2.81Å |
| 329 | Y | 86.5 | Confident | 70.2 | Confident | 8 Ų | 8 | 46.7 Ų | 46.7 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -76.1 | -14.9 | -179.7 | -68.6 | -79.3 | 0 | 0 | 0 | 113.8 | S235 W325 I326 P375 Y378 V381 R382 | S235-Y329 WeakPolarHBondContact CB-OH 3.47Å; S235-Y329 PolarHBondContact OG-OH 3.41Å; S235-Y329 VanDerWaalsContact OG-OH 3.09Å; W325-Y329 AromaticContact CD1-CE2 3.65Å; W325-Y329 HydrophobicContact CG-CE2 4.5Å; W325-Y329 AromaticContact NE1-CD2 3.81Å; W325-Y329 AromaticContact NE1-CE2 3.31Å; W325-Y329 VanDerWaalsContact NE1-CE2 3.31Å; W325-Y329 WeakPolarHBondContact O-CD2 3.49Å; W325-Y329 PolarHBondContact O-N 2.79Å; I326-Y329 PolarHBondContact O-N 3.21Å; Y329-P375 HydrophobicContact CE1-CB 4.21Å; Y329-P375 WeakPolarHBondContact OH-CB 3.35Å; Y329-Y378 AromaticContact CD1-CD2 3.6Å; Y329-Y378 HydrophobicContact CD1-CD2 3.6Å; Y329-Y378 AromaticContact CD1-CE2 3.98Å; Y329-Y378 HydrophobicContact CD1-CE2 3.98Å; Y329-Y378 HydrophobicContact CD1-CG 4.39Å; Y329-Y378 AromaticContact CE1-CD2 3.91Å; Y329-Y378 HydrophobicContact CE1-CD2 3.91Å; Y329-Y378 PolarHBondContact O-OH 2.9Å; Y329-V381 HydrophobicContact CD1-CB 3.67Å; Y329-V381 HydrophobicContact CD1-CG1 3.59Å; Y329-V381 HydrophobicContact CD2-CG1 3.99Å; Y329-V381 HydrophobicContact CE1-CB 3.81Å; Y329-V381 HydrophobicContact CE1-CG1 3.88Å; Y329-V381 HydrophobicContact CE1-CG2 4.2Å; Y329-V381 HydrophobicContact CE2-CG1 4.29Å; Y329-V381 HydrophobicContact CG-CB 4.25Å; Y329-V381 HydrophobicContact CG-CG1 3.65Å; Y329-R382 WeakPolarHBondContact O-CB 3.47Å; Y329-R382 WeakPolarHBondContact O-CG 3.47Å; Y329-R382 PolarHBondContact O-NH1 3.47Å |
| 330 | A | 82.1 | Confident | 67.4 | Low | 2 Ų | 2 | 55.6 Ų | 55.6 | 2% | 0.017 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -85.4 | -22.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | I326 A327 L328 R382 V419 W423 | I326-A330 WeakPolarHBondContact O-CB 3.37Å; I326-A330 PolarHBondContact O-N 2.66Å; A327-A330 PolarHBondContact O-N 2.7Å; L328-A330 VanDerWaalsContact C-N 3.28Å; L328-A330 PolarHBondContact O-N 3.49Å; A330-R382 PolarHBondContact O-NH1 2.92Å; A330-R382 PolarHBondContact O-NH2 2.96Å; A330-V419 HydrophobicContact CB-CG1 3.7Å; A330-V419 HydrophobicContact CB-CG2 4.47Å; A330-W423 HydrophobicContact CB-CH2 3.82Å; A330-W423 HydrophobicContact CB-CZ2 3.54Å; A330-W423 VanDerWaalsContact O-CZ2 3.25Å; A330-W423 WeakPolarHBondContact O-CZ2 3.22Å; A330-W423 PolarHBondContact O-NE1 3.25Å |
| 331 | S | 78.5 | Confident | 64.7 | Low | 9 Ų | 9 | 63.5 Ų | 63.5 | 6% | 0.063 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -61.6 | 148.7 | 179.4 | 66.2 | 0 | 0 | 0 | 0 | 114.8 | A327 L328 Y333 Y378 R382 | A327-S331 PolarHBondContact O-N 3.07Å; L328-S331 PolarHBondContact O-N 3.35Å; L328-S331 PolarHBondContact O-OG 3.41Å; S331-Y333 PolarHBondContact O-N 2.98Å; S331-Y333 WeakPolarHBondContact OG-CE2 2.98Å; S331-Y378 PolarHBondContact O-OH 3.3Å; S331-Y378 PolarHBondContact OG-OH 3.42Å; S331-R382 PolarHBondContact O-NH1 3.15Å |
| 332 | S | 67.3 | Low | 61.9 | Low | 30 Ų | 30 | 69.1 Ų | 69.1 | 21% | 0.21 | 37% | 0.374 | C | S | . | . | trans | -92.2 | 99.7 | 175.4 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | K334 E422 | S332-K334 PolarHBondContact O-N 3.34Å; S332-K334 VanDerWaalsContact O-N 3.12Å; S332-E422 WeakPolarHBondContact CB-OE2 3.34Å; S332-E422 PolarHBondContact N-OE2 2.75Å | ||
| 333 | Y | 64.6 | Low | 58.8 | Low | 93 Ų | 93 | 77.9 Ų | 77.9 | 37% | 0.365 | 42% | 0.417 | S | S | . | . | trans | -77.4 | 99.3 | 171.2 | -90.1 | -91.9 | 0 | 0 | 0 | 109.1 | S331 H335 L374 Y378 | S331-Y333 PolarHBondContact O-N 2.98Å; S331-Y333 WeakPolarHBondContact OG-CE2 2.98Å; Y333-H335 PolarHBondContact O-N 3.01Å; Y333-H335 VanDerWaalsContact O-N 3.14Å; Y333-L374 HydrophobicContact CD1-CD2 3.96Å; Y333-L374 HydrophobicContact CD1-CG 4.18Å; Y333-L374 HydrophobicContact CD2-CD2 3.35Å; Y333-L374 HydrophobicContact CD2-CG 4.41Å; Y333-L374 HydrophobicContact CE1-CD2 4.34Å; Y333-L374 HydrophobicContact CE2-CD2 3.78Å; Y333-L374 HydrophobicContact CG-CD1 4.43Å; Y333-L374 HydrophobicContact CG-CD2 3.44Å; Y333-L374 VanDerWaalsContact CG-CD2 3.44Å; Y333-L374 HydrophobicContact CG-CG 4.09Å; Y333-Y378 HydrophobicContact CD2-CE2 4.34Å | ||
| 334 | K | 52.5 | Low | 55.8 | Low | 190 Ų | 190 | 85.1 Ų | 85.1 | 83% | 0.826 | 46% | 0.455 | S | S | * | . | trans | -64.3 | 111.3 | 168.2 | -71.2 | -173.4 | 177.3 | -175.4 | 0 | 108.3 | S332 S336 | S332-K334 PolarHBondContact O-N 3.34Å; S332-K334 VanDerWaalsContact O-N 3.12Å; K334-S336 PolarHBondContact O-N 3.31Å | ||
| 335 | H | 38.6 | Very low | 53 | Low | 155 Ų | 155 | 89.8 Ų | 89.8 | 72% | 0.718 | 50% | 0.496 | S | S | * | . | trans | -58.9 | 107.2 | 163.2 | -88.1 | -71.9 | 0 | 0 | 0 | 107.2 | Y333 T337 | Y333-H335 PolarHBondContact O-N 3.01Å; Y333-H335 VanDerWaalsContact O-N 3.14Å; H335-T337 PolarHBondContact O-N 3.37Å | ||
| 336 | S | 32.7 | Very low | 50 | Low | 103 Ų | 103 | 94.2 Ų | 94.2 | 72% | 0.72 | 53% | 0.527 | S | S | * | . | trans | -64.9 | 89.9 | 163.1 | 55.9 | 0 | 0 | 0 | 0 | 106.7 | K334 V338 | K334-S336 PolarHBondContact O-N 3.31Å; S336-V338 PolarHBondContact O-N 3.3Å | ||
| 337 | T | 30.5 | Very low | 46.9 | Very low | 127 Ų | 127 | 102.2 Ų | 102.2 | 78% | 0.779 | 57% | 0.57 | S | S | * | * | trans | -67 | 78.3 | 164.9 | 49 | 0 | 0 | 0 | 0 | 107 | H335 G339 | H335-T337 PolarHBondContact O-N 3.37Å; T337-G339 VanDerWaalsContact C-N 3.35Å; T337-G339 PolarHBondContact O-N 3.3Å; T337-G339 VanDerWaalsContact O-N 3.09Å | ||
| 338 | V | 33.5 | Very low | 44 | Very low | 128 Ų | 128 | 107.7 Ų | 107.7 | 78% | 0.776 | 61% | 0.609 | S | S | * | * | trans | -63.4 | 106.8 | 157.6 | 175.8 | 0 | 0 | 0 | 0 | 104.1 | S336 E340 | S336-V338 PolarHBondContact O-N 3.3Å; V338-E340 PolarHBondContact O-N 3.2Å | ||
| 339 | G | 32.7 | Very low | 41 | Very low | 57 Ų | 57 | 111.3 Ų | 111.3 | 59% | 0.588 | 64% | 0.637 | S | S | * | * | trans | -49 | 124.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | T337 E341 | T337-G339 VanDerWaalsContact C-N 3.35Å; T337-G339 PolarHBondContact O-N 3.3Å; T337-G339 VanDerWaalsContact O-N 3.09Å; G339-E341 PolarHBondContact O-N 3.13Å | ||
| 340 | E | 27.3 | Very low | 38 | Very low | 201 Ų | 201 | 118.5 Ų | 118.5 | 94% | 0.939 | 68% | 0.675 | S | S | * | * | trans | -66.4 | 63.6 | 150.2 | -71.4 | -176.1 | 147.9 | 0 | 0 | 108.2 | V338 T342 | V338-E340 PolarHBondContact O-N 3.2Å; E340-T342 PolarHBondContact O-N 3.04Å | ||
| 341 | E | 28.5 | Very low | 35.4 | Very low | 180 Ų | 180 | 125.1 Ų | 125.1 | 84% | 0.841 | 72% | 0.715 | S | S | * | * | trans | -86.8 | 102.7 | 161 | -77.2 | -166.3 | 170.1 | 0 | 0 | 107.2 | G339 M343 | G339-E341 PolarHBondContact O-N 3.13Å; E341-M343 PolarHBondContact O-N 3.25Å | ||
| 342 | T | 29.4 | Very low | 32.8 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | trans | -25.6 | 121.2 | 167.1 | 48.4 | 0 | 0 | 0 | 0 | 112.7 | E340 N344 | E340-T342 PolarHBondContact O-N 3.04Å; T342-N344 PolarHBondContact O-N 3.49Å | ||
| 343 | M | 25.2 | Very low | 30.7 | Very low | 187 Ų | 187 | 136.4 Ų | 136.4 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | trans | -33.7 | 105 | 163.9 | -73.5 | -175.7 | 158.1 | 0 | 0 | 111.9 | E341 | E341-M343 PolarHBondContact O-N 3.25Š| ||
| 344 | N | 26.4 | Very low | 28.9 | Very low | 152 Ų | 152 | 141.8 Ų | 141.8 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -133.3 | 96.3 | 153.3 | -87.4 | -25.4 | 0 | 0 | 0 | 107.2 | T342 S346 | T342-N344 PolarHBondContact O-N 3.49Å; N344-S346 PolarHBondContact O-N 3.28Å | ||
| 345 | A | 27.4 | Very low | 27.5 | Very low | 109 Ų | 109 | 139.6 Ų | 139.6 | 90% | 0.901 | 79% | 0.793 | S | S | * | * | trans | -76.8 | 96.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 346 | S | 26.6 | Very low | 26.8 | Very low | 94 Ų | 94 | 139.4 Ų | 139.4 | 66% | 0.657 | 80% | 0.797 | S | S | * | * | trans | -177.7 | 97.8 | 153.9 | 50.8 | 0 | 0 | 0 | 0 | 108.8 | N344 | N344-S346 PolarHBondContact O-N 3.28Š| ||
| 347 | D | 23.6 | Very low | 26.4 | Very low | 169 Ų | 169 | 141.9 Ų | 141.9 | 90% | 0.904 | 80% | 0.802 | S | S | * | * | 172.1 | 98.1 | 129.8 | -84.3 | -16.7 | 0 | 0 | 0 | 110.3 | |||||
| 348 | S | 24.2 | Very low | 26.2 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | -100.9 | 116.1 | 174.6 | 59.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 349 | S | 23.2 | Very low | 25.8 | Very low | 108 Ų | 108 | 142.1 Ų | 142.1 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | 149.1 | 130 | 162.8 | 62.4 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 350 | L | 23 | Very low | 25.5 | Very low | 158 Ų | 158 | 145.1 Ų | 145.1 | 83% | 0.827 | 81% | 0.809 | S | S | * | * | cis | -141.6 | 150.5 | 25.8 | -87.3 | 83.3 | 0 | 0 | 0 | 105.3 | ||||
| 351 | V | 27 | Very low | 25.4 | Very low | 141 Ų | 141 | 143 Ų | 143 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | -163.5 | 136.2 | 82.3 | 161.3 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 352 | G | 25.4 | Very low | 25.2 | Very low | 72 Ų | 72 | 139.7 Ų | 139.7 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | trans | -70.2 | 145.7 | -167.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 353 | R | 23.4 | Very low | 24.9 | Very low | 205 Ų | 205 | 142.8 Ų | 142.8 | 77% | 0.774 | 80% | 0.804 | S | S | * | * | trans | -38 | 135.5 | 155.4 | -74.5 | 169 | 166.2 | 169 | -2.8 | 113.4 | ||||
| 354 | Q | 24.9 | Very low | 24.8 | Very low | 205 Ų | 205 | 139 Ų | 139 | 96% | 0.958 | 80% | 0.797 | S | S | * | * | trans | -117.7 | 107.8 | 132.2 | -81.6 | -174.1 | -21.1 | 0 | 0 | 108.1 | ||||
| 355 | K | 23.6 | Very low | 24.8 | Very low | 145 Ų | 145 | 137.8 Ų | 137.8 | 63% | 0.63 | 80% | 0.797 | S | S | * | * | trans | -87.7 | 138.9 | 165 | -77.8 | -179 | 167.3 | -168.4 | 0 | 107.1 | ||||
| 356 | N | 24.2 | Very low | 24.6 | Very low | 150 Ų | 150 | 140.4 Ų | 140.4 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | -170.3 | 114.5 | 134.5 | -93.5 | -10.2 | 0 | 0 | 0 | 111.3 | ||||
| 357 | N | 24.6 | Very low | 24.5 | Very low | 155 Ų | 155 | 144.9 Ų | 144.9 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | trans | 41.4 | 109.5 | 141.2 | -58.8 | -2.8 | 0 | 0 | 0 | 120.4 | ||||
| 358 | S | 26.3 | Very low | 24.6 | Very low | 124 Ų | 124 | 142.2 Ų | 142.2 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -150 | 142.6 | 132.6 | 49.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 359 | I | 25.9 | Very low | 25 | Very low | 137 Ų | 137 | 141.3 Ų | 141.3 | 70% | 0.703 | 80% | 0.797 | S | S | * | * | trans | -84.5 | 164.2 | -169.9 | -68.7 | 160.5 | 0 | 0 | 0 | 109.5 | ||||
| 360 | V | 26.4 | Very low | 25.2 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | trans | 96.9 | 93.8 | 171.3 | -165.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 361 | D | 24.9 | Very low | 25.8 | Very low | 156 Ų | 156 | 142.4 Ų | 142.4 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | trans | -167.6 | 92.6 | 138.4 | -99 | -22.3 | 0 | 0 | 0 | 110.7 | F363 | D361-F363 PolarHBondContact O-N 3.39Š| ||
| 362 | S | 24.2 | Very low | 26.7 | Very low | 111 Ų | 111 | 139.5 Ų | 139.5 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | -92.3 | 71.6 | 168.2 | 59.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 363 | F | 23 | Very low | 28.3 | Very low | 185 Ų | 185 | 146.9 Ų | 146.9 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | -132.9 | 98.5 | 153.4 | -81.1 | -78.7 | 0 | 0 | 0 | 107.1 | D361 P365 | D361-F363 PolarHBondContact O-N 3.39Å; F363-P365 VanDerWaalsContact O-CD 3.26Å; F363-P365 WeakPolarHBondContact O-CD 3.34Å; F363-P365 VanDerWaalsContact O-N 3.12Å | ||
| 364 | S | 22.3 | Very low | 30.4 | Very low | 109 Ų | 109 | 140 Ų | 140 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -55.5 | 116 | 169.4 | 33.4 | 0 | 0 | 0 | 0 | 108.4 | L366 | S364-L366 PolarHBondContact O-N 2.96Š| ||
| 365 | P | 26.3 | Very low | 32.8 | Very low | 125 Ų | 125 | 132 Ų | 132 | 81% | 0.812 | 73% | 0.733 | S | S | * | * | trans | -68.4 | 108.3 | -178.4 | 25.3 | -29.4 | 0 | 0 | 0 | 107.7 | F363 K367 | F363-P365 VanDerWaalsContact O-CD 3.26Å; F363-P365 WeakPolarHBondContact O-CD 3.34Å; F363-P365 VanDerWaalsContact O-N 3.12Å; P365-K367 PolarHBondContact O-N 3.31Å | ||
| 366 | L | 23 | Very low | 35.2 | Very low | 164 Ų | 164 | 128.3 Ų | 128.3 | 86% | 0.859 | 73% | 0.725 | S | S | * | * | trans | -51 | 111.8 | 170.4 | -80.5 | 158.9 | 0 | 0 | 0 | 108.5 | S364 | S364-L366 PolarHBondContact O-N 2.96Š| ||
| 367 | K | 24.6 | Very low | 38 | Very low | 188 Ų | 188 | 122.9 Ų | 122.9 | 82% | 0.817 | 70% | 0.696 | S | S | * | * | S | Bend | trans | 29 | 97.2 | 157.2 | -68.8 | 178.4 | 177.3 | 177.9 | 0 | 113.9 | P365 A369 | P365-K367 PolarHBondContact O-N 3.31Å; K367-A369 PolarHBondContact O-N 2.94Å |
| 368 | S | 26.8 | Very low | 40.9 | Very low | 114 Ų | 114 | 116.7 Ų | 116.7 | 80% | 0.797 | 66% | 0.661 | S | S | * | * | trans | -6.6 | 96.9 | 156.7 | 55 | 0 | 0 | 0 | 0 | 112 | E370 | S368-E370 PolarHBondContact O-N 3.27Š| ||
| 369 | A | 32.3 | Very low | 43.5 | Very low | 97 Ų | 97 | 114.9 Ų | 114.9 | 80% | 0.802 | 65% | 0.649 | S | S | * | * | trans | -46.7 | 115.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | K367 S371 | K367-A369 PolarHBondContact O-N 2.94Å; A369-S371 PolarHBondContact O-N 3.48Å; A369-S371 VanDerWaalsContact O-N 3.07Å | ||
| 370 | E | 28 | Very low | 46.3 | Very low | 183 Ų | 183 | 111 Ų | 111 | 86% | 0.855 | 63% | 0.629 | S | S | * | * | trans | -44.3 | 122.4 | 174.5 | -69.4 | 178.7 | 153.8 | 0 | 0 | 106.9 | S368 S372 | S368-E370 PolarHBondContact O-N 3.27Å; E370-S372 WeakPolarHBondContact O-CA 3.44Å; E370-S372 PolarHBondContact O-N 3.25Å | ||
| 371 | S | 34.2 | Very low | 49.2 | Very low | 106 Ų | 106 | 105.3 Ų | 105.3 | 74% | 0.741 | 60% | 0.595 | S | S | * | * | trans | -42.6 | 107.8 | 176.9 | 43.6 | 0 | 0 | 0 | 0 | 108 | A369 R373 | A369-S371 PolarHBondContact O-N 3.48Å; A369-S371 VanDerWaalsContact O-N 3.07Å; S371-R373 PolarHBondContact O-N 2.66Å | ||
| 372 | S | 45.7 | Very low | 52.1 | Low | 80 Ų | 80 | 100.5 Ų | 100.5 | 56% | 0.559 | 57% | 0.565 | S | S | * | * | trans | -58.5 | 102.4 | -167.4 | 58.6 | 0 | 0 | 0 | 0 | 107.4 | E370 L374 | E370-S372 WeakPolarHBondContact O-CA 3.44Å; E370-S372 PolarHBondContact O-N 3.25Å; S372-L374 PolarHBondContact O-N 2.91Å; S372-L374 VanDerWaalsContact O-N 3.1Å | ||
| 373 | R | 58.9 | Low | 54.8 | Low | 227 Ų | 227 | 101.7 Ų | 101.7 | 86% | 0.857 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 121.6 | -178 | -74.4 | -176.3 | 179.1 | -178.6 | 0.9 | 106.7 | S371 | S371-R373 PolarHBondContact O-N 2.66Š|
| 374 | L | 69.2 | Low | 57.7 | Low | 61 Ų | 61 | 93.1 Ų | 93.1 | 32% | 0.319 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -46.8 | 136.7 | 172.4 | -85.7 | 157.1 | 0 | 0 | 0 | 109.5 | Y333 S372 Y378 | Y333-L374 HydrophobicContact CD1-CD2 3.96Å; Y333-L374 HydrophobicContact CD1-CG 4.18Å; Y333-L374 HydrophobicContact CD2-CD2 3.35Å; Y333-L374 HydrophobicContact CD2-CG 4.41Å; Y333-L374 HydrophobicContact CE1-CD2 4.34Å; Y333-L374 HydrophobicContact CE2-CD2 3.78Å; Y333-L374 HydrophobicContact CG-CD1 4.43Å; Y333-L374 HydrophobicContact CG-CD2 3.44Å; Y333-L374 VanDerWaalsContact CG-CD2 3.44Å; Y333-L374 HydrophobicContact CG-CG 4.09Å; S372-L374 PolarHBondContact O-N 2.91Å; S372-L374 VanDerWaalsContact O-N 3.1Å; L374-Y378 HydrophobicContact CD2-CD1 3.77Å; L374-Y378 HydrophobicContact CD2-CD2 3.73Å; L374-Y378 HydrophobicContact CD2-CE1 4.01Å; L374-Y378 HydrophobicContact CD2-CE2 3.94Å; L374-Y378 HydrophobicContact CD2-CG 3.64Å |
| 375 | P | 74 | Confident | 60.7 | Low | 36 Ų | 36 | 88 Ų | 88 | 23% | 0.234 | 48% | 0.483 | C | S | . | . | P | Polyproline II helix | trans | -51.4 | 144.2 | 175 | -24.9 | 32.1 | 0 | 0 | 0 | 111 | L328 Y329 N377 Y378 | L328-P375 HydrophobicContact CD1-CG 4.5Å; L328-P375 HydrophobicContact CD2-CG 3.99Å; L328-P375 HydrophobicContact CG-CG 4.39Å; Y329-P375 HydrophobicContact CE1-CB 4.21Å; Y329-P375 WeakPolarHBondContact OH-CB 3.35Å; P375-N377 PolarHBondContact O-N 2.81Å; P375-Y378 VanDerWaalsContact O-CB 3.31Å; P375-Y378 WeakPolarHBondContact O-CB 3.44Å; P375-Y378 PolarHBondContact O-N 2.69Å; P375-Y378 VanDerWaalsContact O-N 3.16Å |
| 376 | S | 75.1 | Confident | 63.3 | Low | 68 Ų | 68 | 83.1 Ų | 83.1 | 48% | 0.476 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 142.5 | 175.3 | 58.5 | 0 | 0 | 0 | 0 | 110.6 | S236 Y378 | S236-S376 WeakPolarHBondContact CB-OG 3.39Å; S376-Y378 PolarHBondContact O-N 3.1Å |
| 377 | N | 83.1 | Confident | 65.8 | Low | 35 Ų | 35 | 76.8 Ų | 76.8 | 19% | 0.187 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63 | 16.8 | -177.5 | -42.9 | -43.7 | 0 | 0 | 0 | 115.3 | S235 S236 F238 T239 P375 S379 I380 V381 | S235-N377 PolarHBondContact O-ND2 3.37Å; S236-N377 PolarHBondContact O-ND2 3.19Å; F238-N377 HydrophobicContact CE1-CB 3.74Å; F238-N377 HydrophobicContact CZ-CB 3.91Å; T239-N377 HydrophobicContact CG2-CB 4.48Å; T239-N377 WeakPolarHBondContact CG2-OD1 3.43Å; T239-N377 PolarHBondContact OG1-ND2 3.31Å; T239-N377 VanDerWaalsContact OG1-ND2 3.08Å; T239-N377 PolarHBondContact OG1-OD1 3.2Å; P375-N377 PolarHBondContact O-N 2.81Å; N377-S379 VanDerWaalsContact C-N 3.32Å; N377-S379 PolarHBondContact O-N 3.21Å; N377-I380 HydrophobicContact CB-CD1 4.47Å; N377-I380 PolarHBondContact O-N 3.47Å; N377-V381 HydrophobicContact CB-CG2 4.39Å; N377-V381 WeakPolarHBondContact O-CG2 3.31Å; N377-V381 PolarHBondContact O-N 2.91Å |
| 378 | Y | 84.3 | Confident | 68.3 | Low | 25 Ų | 25 | 70.2 Ų | 70.2 | 10% | 0.098 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -44.3 | -52.4 | -179.3 | -178.4 | -97.5 | 0 | 0 | 0 | 114.4 | L328 Y329 S331 Y333 L374 P375 S376 I380 V381 R382 | L328-Y378 WeakPolarHBondContact O-CE2 3.22Å; L328-Y378 PolarHBondContact O-OH 2.81Å; Y329-Y378 AromaticContact CD1-CD2 3.6Å; Y329-Y378 HydrophobicContact CD1-CD2 3.6Å; Y329-Y378 AromaticContact CD1-CE2 3.98Å; Y329-Y378 HydrophobicContact CD1-CE2 3.98Å; Y329-Y378 HydrophobicContact CD1-CG 4.39Å; Y329-Y378 AromaticContact CE1-CD2 3.91Å; Y329-Y378 HydrophobicContact CE1-CD2 3.91Å; Y329-Y378 PolarHBondContact O-OH 2.9Å; S331-Y378 PolarHBondContact O-OH 3.3Å; S331-Y378 PolarHBondContact OG-OH 3.42Å; Y333-Y378 HydrophobicContact CD2-CE2 4.34Å; L374-Y378 HydrophobicContact CD2-CD1 3.77Å; L374-Y378 HydrophobicContact CD2-CD2 3.73Å; L374-Y378 HydrophobicContact CD2-CE1 4.01Å; L374-Y378 HydrophobicContact CD2-CE2 3.94Å; L374-Y378 HydrophobicContact CD2-CG 3.64Å; P375-Y378 VanDerWaalsContact O-CB 3.31Å; P375-Y378 WeakPolarHBondContact O-CB 3.44Å; P375-Y378 PolarHBondContact O-N 2.69Å; P375-Y378 VanDerWaalsContact O-N 3.16Å; S376-Y378 PolarHBondContact O-N 3.1Å; Y378-I380 VanDerWaalsContact C-N 3.32Å; Y378-I380 PolarHBondContact O-N 3.37Å; Y378-V381 PolarHBondContact O-N 3.46Å; Y378-R382 WeakPolarHBondContact O-CB 3.04Å; Y378-R382 PolarHBondContact O-N 2.91Å; Y378-R382 PolarHBondContact OH-NH1 3.36Å |
| 379 | S | 81.1 | Confident | 70.4 | Confident | 86 Ų | 86 | 68 Ų | 68 | 60% | 0.601 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61.3 | -39.1 | -177.8 | 55 | 0 | 0 | 0 | 0 | 112.7 | N377 K383 | N377-S379 VanDerWaalsContact C-N 3.32Å; N377-S379 PolarHBondContact O-N 3.21Å; S379-K383 WeakPolarHBondContact O-CB 3.11Å; S379-K383 PolarHBondContact O-N 3.38Å |
| 380 | I | 84.1 | Confident | 72.3 | Confident | 56 Ų | 56 | 65.9 Ų | 65.9 | 29% | 0.287 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -71.6 | -44.9 | -178.6 | -55.5 | 172.5 | 0 | 0 | 0 | 110.4 | F238 T239 I253 L256 N377 Y378 K383 T384 | F238-I380 HydrophobicContact CE2-CG2 4.03Å; F238-I380 HydrophobicContact CZ-CB 4.13Å; F238-I380 HydrophobicContact CZ-CD1 4.41Å; F238-I380 HydrophobicContact CZ-CG2 3.7Å; T239-I380 HydrophobicContact CG2-CD1 4.39Å; I253-I380 HydrophobicContact CG1-CG2 4.34Å; L256-I380 HydrophobicContact CD2-CG2 4.16Å; N377-I380 HydrophobicContact CB-CD1 4.47Å; N377-I380 PolarHBondContact O-N 3.47Å; Y378-I380 VanDerWaalsContact C-N 3.32Å; Y378-I380 PolarHBondContact O-N 3.37Å; I380-K383 PolarHBondContact O-N 3.49Å; I380-T384 WeakPolarHBondContact O-CB 3.44Å; I380-T384 PolarHBondContact O-N 2.95Å; I380-T384 PolarHBondContact O-OG1 3.45Å |
| 381 | V | 87.3 | Confident | 74.8 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.5 | -46.5 | 178.5 | 179 | 0 | 0 | 0 | 0 | 110.3 | F238 L256 W325 Y329 N377 Y378 K383 T384 L385 | F238-V381 HydrophobicContact CE1-CG2 3.98Å; L256-V381 HydrophobicContact CD2-CG2 4.24Å; W325-V381 HydrophobicContact CZ2-CG1 4.35Å; Y329-V381 HydrophobicContact CD1-CB 3.67Å; Y329-V381 HydrophobicContact CD1-CG1 3.59Å; Y329-V381 HydrophobicContact CD2-CG1 3.99Å; Y329-V381 HydrophobicContact CE1-CB 3.81Å; Y329-V381 HydrophobicContact CE1-CG1 3.88Å; Y329-V381 HydrophobicContact CE1-CG2 4.2Å; Y329-V381 HydrophobicContact CE2-CG1 4.29Å; Y329-V381 HydrophobicContact CG-CB 4.25Å; Y329-V381 HydrophobicContact CG-CG1 3.65Å; N377-V381 HydrophobicContact CB-CG2 4.39Å; N377-V381 WeakPolarHBondContact O-CG2 3.31Å; N377-V381 PolarHBondContact O-N 2.91Å; Y378-V381 PolarHBondContact O-N 3.46Å; V381-K383 PolarHBondContact O-N 3.19Å; V381-T384 PolarHBondContact O-N 2.77Å; V381-L385 HydrophobicContact CG1-CD1 4.01Å; V381-L385 HydrophobicContact CG1-CG 4.5Å; V381-L385 PolarHBondContact O-N 2.89Å |
| 382 | R | 85.9 | Confident | 76.8 | Confident | 55 Ų | 55 | 52.2 Ų | 52.2 | 21% | 0.208 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -55 | -51.6 | 174 | 176.7 | -179 | -172.4 | 81.1 | -3.9 | 111.7 | Y329 A330 S331 Y378 T384 L385 L386 | Y329-R382 WeakPolarHBondContact O-CB 3.47Å; Y329-R382 WeakPolarHBondContact O-CG 3.47Å; Y329-R382 PolarHBondContact O-NH1 3.47Å; A330-R382 PolarHBondContact O-NH1 2.92Å; A330-R382 PolarHBondContact O-NH2 2.96Å; S331-R382 PolarHBondContact O-NH1 3.15Å; Y378-R382 WeakPolarHBondContact O-CB 3.04Å; Y378-R382 PolarHBondContact O-N 2.91Å; Y378-R382 PolarHBondContact OH-NH1 3.36Å; R382-T384 VanDerWaalsContact C-N 3.29Å; R382-T384 PolarHBondContact O-N 3.33Å; R382-L385 PolarHBondContact O-N 2.88Å; R382-L386 HydrophobicContact CG-CD1 3.84Å; R382-L386 WeakPolarHBondContact O-CB 3.33Å; R382-L386 WeakPolarHBondContact O-CG 3.29Å; R382-L386 PolarHBondContact O-N 3.5Å |
| 383 | K | 81.2 | Confident | 78 | Confident | 135 Ų | 135 | 48.9 Ų | 48.9 | 59% | 0.587 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -58 | -45.2 | 178.2 | -172.5 | 173.3 | -177.4 | 174.3 | 0 | 110.2 | S379 I380 V381 L385 L386 T387 | S379-K383 WeakPolarHBondContact O-CB 3.11Å; S379-K383 PolarHBondContact O-N 3.38Å; I380-K383 PolarHBondContact O-N 3.49Å; V381-K383 PolarHBondContact O-N 3.19Å; K383-L385 PolarHBondContact O-N 3.28Å; K383-L386 PolarHBondContact O-N 3.08Å; K383-T387 HydrophobicContact CG-CG2 4Å; K383-T387 WeakPolarHBondContact CG-OG1 3.37Å; K383-T387 WeakPolarHBondContact O-CA 3.48Å; K383-T387 WeakPolarHBondContact O-CB 3.49Å; K383-T387 WeakPolarHBondContact O-CG2 3.42Å; K383-T387 PolarHBondContact O-N 3.27Å; K383-T387 PolarHBondContact O-OG1 3.19Å |
| 384 | T | 84.6 | Confident | 79 | Confident | 6 Ų | 6 | 40.9 Ų | 40.9 | 4% | 0.037 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.3 | -42.7 | 179.9 | -55.5 | 0 | 0 | 0 | 0 | 112.9 | L256 R257 I260 I380 V381 R382 Y388 L391 | L256-T384 HydrophobicContact CD2-CG2 4.14Å; L256-T384 WeakPolarHBondContact CD2-OG1 3.14Å; L256-T384 HydrophobicContact CG-CG2 4.25Å; R257-T384 HydrophobicContact CG-CG2 3.65Å; I260-T384 HydrophobicContact CD1-CG2 4.05Å; I380-T384 WeakPolarHBondContact O-CB 3.44Å; I380-T384 PolarHBondContact O-N 2.95Å; I380-T384 PolarHBondContact O-OG1 3.45Å; V381-T384 PolarHBondContact O-N 2.77Å; R382-T384 VanDerWaalsContact C-N 3.29Å; R382-T384 PolarHBondContact O-N 3.33Å; T384-Y388 VanDerWaalsContact O-CB 3.29Å; T384-Y388 WeakPolarHBondContact O-CB 3.19Å; T384-L391 HydrophobicContact CG2-CD1 4.1Å |
| 385 | L | 84.4 | Confident | 79.6 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.5 | -42.3 | 178.6 | -73.5 | 170.8 | 0 | 0 | 0 | 112.7 | I260 W325 V381 R382 K383 C392 | I260-L385 HydrophobicContact CD1-CD2 4.12Å; I260-L385 HydrophobicContact CD1-CG 4.38Å; I260-L385 HydrophobicContact CG2-CD2 3.93Å; W325-L385 HydrophobicContact CH2-CD1 4.29Å; W325-L385 HydrophobicContact CH2-CD2 4.27Å; W325-L385 HydrophobicContact CZ3-CD1 4.49Å; W325-L385 HydrophobicContact CZ3-CD2 4.34Å; V381-L385 HydrophobicContact CG1-CD1 4.01Å; V381-L385 HydrophobicContact CG1-CG 4.5Å; V381-L385 PolarHBondContact O-N 2.89Å; R382-L385 PolarHBondContact O-N 2.88Å; K383-L385 PolarHBondContact O-N 3.28Å; L385-C392 WeakPolarHBondContact O-CA 3.44Å; L385-C392 PolarHBondContact O-N 3.35Å |
| 386 | L | 80.6 | Confident | 79.9 | Confident | 22 Ų | 22 | 36.5 Ų | 36.5 | 12% | 0.115 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -96.9 | -19.9 | -169.4 | -58.7 | -179.5 | 0 | 0 | 0 | 114.4 | R382 K383 C392 T395 W423 | R382-L386 HydrophobicContact CG-CD1 3.84Å; R382-L386 WeakPolarHBondContact O-CB 3.33Å; R382-L386 WeakPolarHBondContact O-CG 3.29Å; R382-L386 PolarHBondContact O-N 3.5Å; K383-L386 PolarHBondContact O-N 3.08Å; L386-C392 PolarHBondContact O-SG 3.32Å; L386-T395 HydrophobicContact CD2-CG2 4.4Å; L386-W423 HydrophobicContact CD1-CZ2 3.99Å; L386-W423 HydrophobicContact CD2-CH2 3.91Å; L386-W423 HydrophobicContact CD2-CZ2 4.11Å |
| 387 | T | 76 | Confident | 80 | Confident | 30 Ų | 30 | 33.3 Ų | 33.3 | 18% | 0.184 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -110.9 | -14.9 | -177.2 | 78.3 | 0 | 0 | 0 | 0 | 114.5 | K383 | K383-T387 HydrophobicContact CG-CG2 4Å; K383-T387 WeakPolarHBondContact CG-OG1 3.37Å; K383-T387 WeakPolarHBondContact O-CA 3.48Å; K383-T387 WeakPolarHBondContact O-CB 3.49Å; K383-T387 WeakPolarHBondContact O-CG2 3.42Å; K383-T387 PolarHBondContact O-N 3.27Å; K383-T387 PolarHBondContact O-OG1 3.19Å |
| 388 | Y | 76.9 | Confident | 80.1 | Confident | 51 Ų | 51 | 31.8 Ų | 31.8 | 20% | 0.2 | 16% | 0.161 | C | C | . | . | B | Isolated β-bridge | trans | -91.1 | 109.8 | 177.3 | -177 | -123.1 | 0 | 0 | 0 | 109.7 | R257 T384 P390 L391 C392 D441 | R257-Y388 HydrophobicContact CB-CE1 4.49Å; R257-Y388 HydrophobicContact CG-CD1 4.08Å; R257-Y388 HydrophobicContact CG-CE1 4.25Å; T384-Y388 VanDerWaalsContact O-CB 3.29Å; T384-Y388 WeakPolarHBondContact O-CB 3.19Å; Y388-P390 VanDerWaalsContact C-CD 3.49Å; Y388-P390 HydrophobicContact CD1-CG 4.39Å; Y388-P390 HydrophobicContact CE1-CB 4.09Å; Y388-P390 HydrophobicContact CE1-CG 3.82Å; Y388-P390 HydrophobicContact CE2-CG 4.2Å; Y388-L391 HydrophobicContact CD1-CB 4.1Å; Y388-L391 HydrophobicContact CD1-CD1 3.72Å; Y388-L391 HydrophobicContact CD1-CG 3.63Å; Y388-L391 HydrophobicContact CE1-CD1 4.34Å; Y388-L391 HydrophobicContact CE1-CG 4.13Å; Y388-L391 PolarHBondContact O-N 2.84Å; Y388-C392 WeakPolarHBondContact O-CB 3.43Å; Y388-C392 PolarHBondContact O-N 3.48Å; Y388-D441 HydrophobicContact CE2-CB 4.31Å |
| 389 | L | 71.4 | Confident | 80.1 | Confident | 66 Ų | 66 | 30.6 Ų | 30.6 | 35% | 0.346 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -50.4 | -45.7 | -165.8 | -175.3 | 68.2 | 0 | 0 | 0 | 114.9 | I280 L391 C392 S393 | I280-L389 HydrophobicContact CD1-CD1 4.25Å; L389-L391 VanDerWaalsContact C-N 3.3Å; L389-L391 PolarHBondContact O-N 3.02Å; L389-C392 PolarHBondContact O-N 3.08Å; L389-S393 PolarHBondContact O-N 3.01Å |
| 390 | P | 71.9 | Confident | 80.2 | Confident | 54 Ų | 54 | 29.4 Ų | 29.4 | 35% | 0.351 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -62.1 | -36.4 | 178.9 | -23.3 | 35.3 | 0 | 0 | 0 | 113.2 | Y388 R394 | Y388-P390 VanDerWaalsContact C-CD 3.49Å; Y388-P390 HydrophobicContact CD1-CG 4.39Å; Y388-P390 HydrophobicContact CE1-CB 4.09Å; Y388-P390 HydrophobicContact CE1-CG 3.82Å; Y388-P390 HydrophobicContact CE2-CG 4.2Å; P390-R394 WeakPolarHBondContact O-CD 3.4Å; P390-R394 VanDerWaalsContact O-CG 3.22Å; P390-R394 WeakPolarHBondContact O-CG 3.48Å |
| 391 | L | 80.3 | Confident | 80.2 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -83.9 | -35.2 | 179.6 | -66.4 | -178.9 | 0 | 0 | 0 | 111.9 | I260 D261 Y264 T384 Y388 L389 S393 R394 T395 | I260-L391 HydrophobicContact CB-CD1 3.94Å; I260-L391 HydrophobicContact CB-CD2 4.49Å; I260-L391 HydrophobicContact CD1-CD1 4.48Å; I260-L391 HydrophobicContact CG2-CD1 3.74Å; I260-L391 HydrophobicContact CG2-CD2 3.83Å; I260-L391 HydrophobicContact CG2-CG 4.34Å; D261-L391 HydrophobicContact CB-CD2 4.41Å; Y264-L391 HydrophobicContact CD2-CD2 3.67Å; Y264-L391 HydrophobicContact CE2-CD2 3.87Å; T384-L391 HydrophobicContact CG2-CD1 4.1Å; Y388-L391 HydrophobicContact CD1-CB 4.1Å; Y388-L391 HydrophobicContact CD1-CD1 3.72Å; Y388-L391 HydrophobicContact CD1-CG 3.63Å; Y388-L391 HydrophobicContact CE1-CD1 4.34Å; Y388-L391 HydrophobicContact CE1-CG 4.13Å; Y388-L391 PolarHBondContact O-N 2.84Å; L389-L391 VanDerWaalsContact C-N 3.3Å; L389-L391 PolarHBondContact O-N 3.02Å; L391-S393 PolarHBondContact O-N 3.33Å; L391-R394 PolarHBondContact O-N 3.21Å; L391-T395 WeakPolarHBondContact O-CB 3.27Å; L391-T395 PolarHBondContact O-N 2.86Å; L391-T395 PolarHBondContact O-OG1 3.16Å |
| 392 | C | 76.3 | Confident | 80 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.007 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.2 | -46.5 | -179.8 | -175.3 | 0 | 0 | 0 | 0 | 111.6 | L385 L386 Y388 L389 R394 T395 Y396 | L385-C392 WeakPolarHBondContact O-CA 3.44Å; L385-C392 PolarHBondContact O-N 3.35Å; L386-C392 PolarHBondContact O-SG 3.32Å; Y388-C392 WeakPolarHBondContact O-CB 3.43Å; Y388-C392 PolarHBondContact O-N 3.48Å; L389-C392 PolarHBondContact O-N 3.08Å; C392-R394 PolarHBondContact O-N 3.37Å; C392-T395 WeakPolarHBondContact O-CB 3.42Å; C392-T395 PolarHBondContact O-N 3.12Å; C392-Y396 VanDerWaalsContact O-CD2 3.26Å; C392-Y396 WeakPolarHBondContact O-CD2 3.3Å; C392-Y396 PolarHBondContact O-N 3.47Å; C392-Y396 VanDerWaalsContact O-N 3.07Å; C392-Y396 WeakPolarHBondContact SG-CE2 3.45Å |
| 393 | S | 71.9 | Confident | 80 | Confident | 11 Ų | 11 | 25.1 Ų | 25.1 | 8% | 0.077 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.4 | -45.2 | 176.5 | -168.5 | 0 | 0 | 0 | 0 | 113.2 | F278 I280 L389 L391 T395 Y396 S397 | F278-S393 PolarHBondContact O-OG 3.28Å; I280-S393 VanDerWaalsContact CD1-CA 3.46Å; I280-S393 WeakPolarHBondContact CG1-OG 3.27Å; L389-S393 PolarHBondContact O-N 3.01Å; L391-S393 PolarHBondContact O-N 3.33Å; S393-T395 VanDerWaalsContact C-N 3.25Å; S393-T395 PolarHBondContact O-N 3.44Å; S393-Y396 PolarHBondContact O-N 3.48Å; S393-S397 PolarHBondContact O-N 2.88Å; S393-S397 PolarHBondContact O-OG 2.75Å |
| 394 | R | 79.2 | Confident | 79.9 | Confident | 59 Ų | 59 | 20.9 Ų | 20.9 | 22% | 0.223 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.7 | -34.2 | 178.7 | -56.8 | 177.3 | 177.5 | -179.2 | 0.9 | 111.1 | D261 Y264 Y277 P390 L391 C392 S397 I398 | D261-R394 IonicContact OD1-CZ 2.73Å; D261-R394 IonicContact OD1-NH1 3.29Å; D261-R394 PolarHBondContact OD1-NH1 3.4Å; D261-R394 IonicContact OD1-NH2 3.38Å; Y264-R394 HydrophobicContact CD1-CB 3.48Å; Y264-R394 VanDerWaalsContact CD1-CB 3.48Å; Y264-R394 HydrophobicContact CD1-CG 4.21Å; Y264-R394 HydrophobicContact CE1-CB 3.17Å; Y264-R394 HydrophobicContact CE1-CG 4.34Å; Y264-R394 HydrophobicContact CE2-CB 4.41Å; Y264-R394 HydrophobicContact CG-CB 4.21Å; Y277-R394 HydrophobicContact CD1-CB 3.71Å; Y277-R394 HydrophobicContact CD1-CG 3.43Å; Y277-R394 VanDerWaalsContact CD1-CG 3.43Å; Y277-R394 HydrophobicContact CE1-CB 3.8Å; Y277-R394 HydrophobicContact CE1-CG 3.78Å; Y277-R394 HydrophobicContact CG-CG 3.97Å; P390-R394 WeakPolarHBondContact O-CD 3.4Å; P390-R394 VanDerWaalsContact O-CG 3.22Å; P390-R394 WeakPolarHBondContact O-CG 3.48Å; L391-R394 PolarHBondContact O-N 3.21Å; C392-R394 PolarHBondContact O-N 3.37Å; R394-S397 WeakPolarHBondContact O-CB 3.13Å; R394-S397 PolarHBondContact O-N 3.04Å; R394-I398 WeakPolarHBondContact O-CG1 3.49Å; R394-I398 PolarHBondContact O-N 2.66Å |
| 395 | T | 83.2 | Confident | 79.7 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.2 | -48.4 | 176.5 | -57.6 | 0 | 0 | 0 | 0 | 111.1 | Y264 I326 L386 L391 C392 S393 S397 I398 L399 | Y264-T395 WeakPolarHBondContact OH-CA 3.27Å; Y264-T395 PolarHBondContact OH-N 3.45Å; Y264-T395 PolarHBondContact OH-OG1 3.28Å; I326-T395 HydrophobicContact CG2-CG2 3.42Å; I326-T395 VanDerWaalsContact CG2-CG2 3.42Å; L386-T395 HydrophobicContact CD2-CG2 4.4Å; L391-T395 WeakPolarHBondContact O-CB 3.27Å; L391-T395 PolarHBondContact O-N 2.86Å; L391-T395 PolarHBondContact O-OG1 3.16Å; C392-T395 WeakPolarHBondContact O-CB 3.42Å; C392-T395 PolarHBondContact O-N 3.12Å; S393-T395 VanDerWaalsContact C-N 3.25Å; S393-T395 PolarHBondContact O-N 3.44Å; T395-S397 VanDerWaalsContact C-N 3.3Å; T395-S397 PolarHBondContact O-N 3.2Å; T395-I398 PolarHBondContact O-N 3.1Å; T395-L399 WeakPolarHBondContact O-CG 3.41Å; T395-L399 PolarHBondContact O-N 2.96Å |
| 396 | Y | 79.2 | Confident | 79.2 | Confident | 5 Ų | 5 | 21.6 Ų | 21.6 | 2% | 0.02 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.4 | -36 | 174.8 | -64.2 | -47 | 0 | 0 | 0 | 112.8 | I280 C392 S393 I398 L399 R400 W423 F445 M447 L455 I459 | I280-Y396 HydrophobicContact CD1-CD2 4.19Å; I280-Y396 HydrophobicContact CD1-CE2 4.37Å; C392-Y396 VanDerWaalsContact O-CD2 3.26Å; C392-Y396 WeakPolarHBondContact O-CD2 3.3Å; C392-Y396 PolarHBondContact O-N 3.47Å; C392-Y396 VanDerWaalsContact O-N 3.07Å; C392-Y396 WeakPolarHBondContact SG-CE2 3.45Å; S393-Y396 PolarHBondContact O-N 3.48Å; Y396-I398 VanDerWaalsContact C-N 3.33Å; Y396-I398 PolarHBondContact O-N 2.79Å; Y396-L399 HydrophobicContact CD1-CD1 4.31Å; Y396-L399 PolarHBondContact O-N 3.07Å; Y396-R400 PolarHBondContact O-N 3.42Å; Y396-W423 HydrophobicContact CD1-CZ3 4.25Å; Y396-W423 HydrophobicContact CE1-CH2 4.01Å; Y396-W423 AromaticContact CE1-CZ3 3.62Å; Y396-W423 HydrophobicContact CE1-CZ3 3.62Å; Y396-F445 AromaticContact CE2-CD1 3.55Å; Y396-F445 HydrophobicContact CE2-CD1 3.55Å; Y396-F445 AromaticContact CE2-CE1 3.96Å; Y396-F445 HydrophobicContact CE2-CE1 3.96Å; Y396-F445 HydrophobicContact CE2-CG 4.43Å; Y396-F445 AromaticContact CZ-CD1 3.97Å; Y396-M447 HydrophobicContact CD1-CE 4.47Å; Y396-M447 HydrophobicContact CE1-CE 3.8Å; Y396-M447 HydrophobicContact CE1-SD 4.44Å; Y396-M447 HydrophobicContact CE2-CE 4.04Å; Y396-L455 HydrophobicContact CD1-CD2 4.35Å; Y396-L455 HydrophobicContact CD2-CD2 3.32Å; Y396-L455 HydrophobicContact CE2-CD2 3.89Å; Y396-L455 HydrophobicContact CG-CD2 3.6Å; Y396-L455 HydrophobicContact CG-CG 4.5Å; Y396-I459 HydrophobicContact CD1-CD1 4.33Å |
| 397 | S | 78.2 | Confident | 79 | Confident | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.007 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.3 | -42.4 | 175.2 | -48.3 | 0 | 0 | 0 | 0 | 111.4 | F278 S393 R394 T395 R400 | F278-S397 WeakPolarHBondContact CD2-OG 3.42Å; S393-S397 PolarHBondContact O-N 2.88Å; S393-S397 PolarHBondContact O-OG 2.75Å; R394-S397 WeakPolarHBondContact O-CB 3.13Å; R394-S397 PolarHBondContact O-N 3.04Å; T395-S397 VanDerWaalsContact C-N 3.3Å; T395-S397 PolarHBondContact O-N 3.2Å; S397-R400 WeakPolarHBondContact O-CB 3.33Å; S397-R400 PolarHBondContact O-N 3.15Å |
| 398 | I | 84.1 | Confident | 78.8 | Confident | 3 Ų | 3 | 25.5 Ų | 25.5 | 2% | 0.015 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -69.4 | -40.1 | 175.7 | -67.1 | 178.8 | 0 | 0 | 0 | 111.9 | Y264 V268 I323 I326 R394 T395 Y396 R400 E401 | Y264-I398 HydrophobicContact CD1-CD1 3.82Å; Y264-I398 HydrophobicContact CE1-CD1 3.1Å; Y264-I398 HydrophobicContact CE1-CG1 3.91Å; V268-I398 HydrophobicContact CB-CD1 4.17Å; V268-I398 HydrophobicContact CG1-CD1 3.58Å; V268-I398 HydrophobicContact CG1-CG1 3.8Å; V268-I398 HydrophobicContact CG2-CD1 3.48Å; V268-I398 VanDerWaalsContact CG2-CD1 3.48Å; I323-I398 HydrophobicContact CG1-CG2 3.51Å; I326-I398 HydrophobicContact CD1-CB 3.89Å; I326-I398 HydrophobicContact CD1-CD1 3.67Å; I326-I398 HydrophobicContact CD1-CG1 4.41Å; I326-I398 HydrophobicContact CD1-CG2 3.61Å; R394-I398 WeakPolarHBondContact O-CG1 3.49Å; R394-I398 PolarHBondContact O-N 2.66Å; T395-I398 PolarHBondContact O-N 3.1Å; Y396-I398 VanDerWaalsContact C-N 3.33Å; Y396-I398 PolarHBondContact O-N 2.79Å; I398-R400 PolarHBondContact O-N 2.75Å; I398-E401 WeakPolarHBondContact O-CB 3.31Å; I398-E401 PolarHBondContact O-N 3.29Å |
| 399 | L | 84.3 | Confident | 78.9 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.4 | -31.8 | 176.3 | -71.8 | 176.8 | 0 | 0 | 0 | 111.8 | I326 T395 Y396 E401 S402 V416 W423 | I326-L399 HydrophobicContact CG2-CD1 4.43Å; I326-L399 HydrophobicContact CG2-CD2 3.79Å; I326-L399 HydrophobicContact CG2-CG 4.02Å; T395-L399 WeakPolarHBondContact O-CG 3.41Å; T395-L399 PolarHBondContact O-N 2.96Å; Y396-L399 HydrophobicContact CD1-CD1 4.31Å; Y396-L399 PolarHBondContact O-N 3.07Å; L399-E401 VanDerWaalsContact C-N 3.34Å; L399-E401 PolarHBondContact O-N 3.06Å; L399-S402 WeakPolarHBondContact O-CB 3.22Å; L399-S402 PolarHBondContact O-N 3.01Å; L399-S402 PolarHBondContact O-OG 2.94Å; L399-V416 HydrophobicContact CB-CG1 4.37Å; L399-V416 HydrophobicContact CD2-CG1 3.93Å; L399-V416 HydrophobicContact CD2-CG2 3.89Å; L399-W423 HydrophobicContact CD1-CH2 4Å; L399-W423 HydrophobicContact CD1-CZ3 4.01Å |
| 400 | R | 83.2 | Confident | 79.2 | Confident | 60 Ų | 60 | 22.2 Ų | 22.2 | 23% | 0.226 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.7 | -38.8 | 172 | -172.5 | -176.4 | 170.2 | -86.3 | -0.3 | 113.1 | Y396 S397 I398 S402 F403 I459 S462 | Y396-R400 PolarHBondContact O-N 3.42Å; S397-R400 WeakPolarHBondContact O-CB 3.33Å; S397-R400 PolarHBondContact O-N 3.15Å; I398-R400 PolarHBondContact O-N 2.75Å; R400-S402 PolarHBondContact O-N 2.96Å; R400-F403 PolarHBondContact O-N 2.5Å; R400-I459 HydrophobicContact CB-CG1 4.25Å; R400-S462 WeakPolarHBondContact CG-OG 2.99Å; R400-S462 PolarHBondContact O-OG 3.02Å; R400-S462 VanDerWaalsContact O-OG 3.13Å |
| 401 | E | 83.5 | Confident | 79.3 | Confident | 20 Ų | 20 | 20.1 Ų | 20.1 | 9% | 0.093 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.5 | -17.5 | 178.9 | -62.4 | -59.5 | 113.1 | 0 | 0 | 112.4 | S274 V275 I323 I398 L399 F403 L404 L405 | S274-E401 PolarHBondContact OG-OE2 3.33Å; V275-E401 HydrophobicContact CG2-CG 3.39Å; I323-E401 HydrophobicContact CD1-CB 4.3Å; I398-E401 WeakPolarHBondContact O-CB 3.31Å; I398-E401 PolarHBondContact O-N 3.29Å; L399-E401 VanDerWaalsContact C-N 3.34Å; L399-E401 PolarHBondContact O-N 3.06Å; E401-F403 PolarHBondContact O-N 3.45Å; E401-L404 CarbonylContact O-C 3.47Å; E401-L404 WeakPolarHBondContact O-CA 3.46Å; E401-L404 PolarHBondContact O-N 3.14Å; E401-L405 PolarHBondContact O-N 3.34Å |
| 402 | S | 84.9 | Confident | 79.4 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | G | 310 helix | trans | -60.4 | -36.6 | 176 | 78.2 | 0 | 0 | 0 | 0 | 112.6 | L399 R400 L404 L405 I413 V416 | L399-S402 WeakPolarHBondContact O-CB 3.22Å; L399-S402 PolarHBondContact O-N 3.01Å; L399-S402 PolarHBondContact O-OG 2.94Å; R400-S402 PolarHBondContact O-N 2.96Å; S402-L404 PolarHBondContact O-N 3.2Å; S402-L405 WeakPolarHBondContact O-CB 3.35Å; S402-L405 PolarHBondContact O-N 3.5Å; S402-I413 WeakPolarHBondContact O-CG1 3.45Å; S402-V416 VanDerWaalsContact OG-CG1 3.3Å; S402-V416 WeakPolarHBondContact OG-CG1 3.42Å |
| 403 | F | 84.4 | Confident | 79.7 | Confident | 1 Ų | 1 | 20.2 Ų | 20.2 | 0% | 0.004 | 10% | 0.102 | C | C | . | . | G | 310 helix | trans | -79.2 | -4.3 | 179 | -66.1 | -78.1 | 0 | 0 | 0 | 113 | R400 E401 I413 V416 F417 L420 I459 L460 S462 F463 S466 I490 | R400-F403 PolarHBondContact O-N 2.5Å; E401-F403 PolarHBondContact O-N 3.45Å; F403-I413 HydrophobicContact CD1-CG2 3.82Å; F403-I413 HydrophobicContact CE1-CG2 3.88Å; F403-V416 HydrophobicContact CE2-CG1 4.05Å; F403-V416 HydrophobicContact CZ-CG1 4.47Å; F403-F417 HydrophobicContact CE1-CB 4.5Å; F403-F417 HydrophobicContact CZ-CB 4.29Å; F403-L420 HydrophobicContact CE2-CD1 3.67Å; F403-L420 HydrophobicContact CZ-CD1 3.98Å; F403-I459 HydrophobicContact CD2-CG2 4.08Å; F403-I459 WeakPolarHBondContact CD2-O 3.46Å; F403-I459 HydrophobicContact CE2-CG2 3.81Å; F403-L460 HydrophobicContact CE1-CD2 4.35Å; F403-L460 HydrophobicContact CE2-CD2 4.32Å; F403-L460 HydrophobicContact CZ-CD2 3.73Å; F403-S462 WeakPolarHBondContact CB-OG 3.35Å; F403-F463 HydrophobicContact CB-CB 3.84Å; F403-F463 HydrophobicContact CB-CD2 4.14Å; F403-F463 HydrophobicContact CD1-CB 3.67Å; F403-F463 AromaticContact CD1-CD2 3.81Å; F403-F463 HydrophobicContact CD1-CD2 3.81Å; F403-F463 HydrophobicContact CD1-CG 4.02Å; F403-F463 HydrophobicContact CG-CB 4.02Å; F403-F463 HydrophobicContact CG-CD2 4.48Å; F403-S466 PolarHBondContact O-OG 2.92Å; F403-I490 HydrophobicContact CD1-CD1 4.44Å; F403-I490 HydrophobicContact CE1-CD1 4.13Å |
| 404 | L | 80.5 | Confident | 80.1 | Confident | 46 Ų | 46 | 20 Ų | 20 | 24% | 0.241 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -105.4 | 8.4 | 172.8 | -55.9 | 178.7 | 0 | 0 | 0 | 112.2 | E401 S402 S462 Y468 | E401-L404 CarbonylContact O-C 3.47Å; E401-L404 WeakPolarHBondContact O-CA 3.46Å; E401-L404 PolarHBondContact O-N 3.14Å; S402-L404 PolarHBondContact O-N 3.2Å; L404-S462 WeakPolarHBondContact CD2-O 3.26Å; L404-Y468 WeakPolarHBondContact O-CE2 3.49Å |
| 405 | L | 80 | Confident | 80.3 | Confident | 5 Ų | 5 | 18.1 Ų | 18.1 | 3% | 0.026 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -76.6 | 149.8 | 173.5 | -75.9 | 175.2 | 0 | 0 | 0 | 111.6 | V319 I323 E401 S402 H409 T412 Y468 | V319-L405 HydrophobicContact CG1-CD2 3.43Å; V319-L405 VanDerWaalsContact CG1-CD2 3.43Å; V319-L405 HydrophobicContact CG1-CG 4.46Å; I323-L405 HydrophobicContact CD1-CD1 3.86Å; I323-L405 HydrophobicContact CD1-CD2 4.49Å; I323-L405 HydrophobicContact CD1-CG 4.19Å; E401-L405 PolarHBondContact O-N 3.34Å; S402-L405 WeakPolarHBondContact O-CB 3.35Å; S402-L405 PolarHBondContact O-N 3.5Å; L405-H409 HydrophobicContact CB-CB 4.48Å; L405-H409 HydrophobicContact CD1-CB 4.27Å; L405-T412 HydrophobicContact CD1-CG2 4.11Å; L405-Y468 VanDerWaalsContact C-CE2 3.4Å; L405-Y468 WeakPolarHBondContact O-CD2 3.27Å; L405-Y468 WeakPolarHBondContact O-CE2 2.94Å |
| 406 | P | 74.5 | Confident | 80.4 | Confident | 18 Ų | 18 | 18.1 Ų | 18.1 | 12% | 0.117 | 9% | 0.094 | C | C | . | . | trans | -63.5 | 152.3 | 169.9 | 6.7 | -1.6 | 0 | 0 | 0 | 112.1 | N408 H409 Y468 | P406-N408 WeakPolarHBondContact CB-OD1 3.14Å; P406-N408 PolarHBondContact O-N 2.77Å; P406-N408 VanDerWaalsContact O-N 3.14Å; P406-N408 PolarHBondContact O-OD1 3.37Å; P406-N408 VanDerWaalsContact O-OD1 3.14Å; P406-H409 PolarHBondContact O-N 3.43Å; P406-Y468 HydrophobicContact CB-CE1 4.27Å; P406-Y468 HydrophobicContact CB-CE2 4.27Å | ||
| 407 | L | 75.4 | Confident | 80.8 | Confident | 13 Ų | 13 | 18.8 Ų | 18.8 | 7% | 0.068 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -66.2 | -17.4 | -169.2 | -61.9 | 172.8 | 0 | 0 | 0 | 114.6 | H409 V410 F471 N479 V483 | L407-H409 PolarHBondContact O-N 2.77Å; L407-H409 VanDerWaalsContact O-N 3.12Å; L407-V410 WeakPolarHBondContact O-CB 3.38Å; L407-V410 PolarHBondContact O-N 3.45Å; L407-V410 VanDerWaalsContact O-N 3.14Å; L407-F471 HydrophobicContact CD1-CD2 4.33Å; L407-F471 HydrophobicContact CD1-CE2 3.77Å; L407-F471 HydrophobicContact CG-CE2 4.46Å; L407-N479 HydrophobicContact CD1-CB 3.81Å; L407-V483 HydrophobicContact CD1-CG2 3.41Å; L407-V483 VanDerWaalsContact CD1-CG2 3.41Å; L407-V483 HydrophobicContact CD2-CG2 3.7Å; L407-V483 HydrophobicContact CG-CG2 4.19Å |
| 408 | N | 72.8 | Confident | 81 | Confident | 122 Ų | 122 | 22.7 Ų | 22.7 | 65% | 0.652 | 11% | 0.111 | S | C | * | . | G | 310 helix | trans | -60.9 | -16.9 | 170.9 | 64.5 | -28.4 | 0 | 0 | 0 | 112.9 | P406 | P406-N408 WeakPolarHBondContact CB-OD1 3.14Å; P406-N408 PolarHBondContact O-N 2.77Å; P406-N408 VanDerWaalsContact O-N 3.14Å; P406-N408 PolarHBondContact O-OD1 3.37Å; P406-N408 VanDerWaalsContact O-OD1 3.14Å |
| 409 | H | 78.1 | Confident | 80.9 | Confident | 29 Ų | 29 | 22.5 Ų | 22.5 | 13% | 0.134 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -103.1 | 25.2 | 176.7 | -61.8 | -63.4 | 0 | 0 | 0 | 113.6 | H320 L405 P406 L407 G411 T412 I413 | H320-H409 AromaticContact CD2-ND1 3.96Å; H320-H409 AromaticContact CE1-ND1 3.44Å; H320-H409 PolarHBondContact CE1-ND1 3.36Å; H320-H409 AromaticContact CG-CE1 3.92Å; H320-H409 AromaticContact CG-CG 3.98Å; H320-H409 AromaticContact CG-ND1 3.48Å; H320-H409 AromaticContact ND1-CG 3.44Å; H320-H409 AromaticContact ND1-ND1 3.15Å; H320-H409 PolarHBondContact ND1-ND1 3.01Å; H320-H409 VanDerWaalsContact ND1-ND1 3.15Å; H320-H409 AromaticContact NE2-ND1 3.97Å; L405-H409 HydrophobicContact CB-CB 4.48Å; L405-H409 HydrophobicContact CD1-CB 4.27Å; P406-H409 PolarHBondContact O-N 3.43Å; L407-H409 PolarHBondContact O-N 2.77Å; L407-H409 VanDerWaalsContact O-N 3.12Å; H409-G411 PolarHBondContact O-N 3.44Å; H409-G411 VanDerWaalsContact O-N 3.09Å; H409-T412 PolarHBondContact O-N 3.26Å; H409-I413 PolarHBondContact O-N 3.39Å |
| 410 | V | 77.3 | Confident | 80.9 | Confident | 18 Ų | 18 | 22.5 Ų | 22.5 | 11% | 0.109 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -53.1 | -34.4 | -174.7 | 71.2 | 0 | 0 | 0 | 0 | 114.3 | L407 T412 I413 A414 L482 I486 V785 F789 | L407-V410 WeakPolarHBondContact O-CB 3.38Å; L407-V410 PolarHBondContact O-N 3.45Å; L407-V410 VanDerWaalsContact O-N 3.14Å; V410-T412 PolarHBondContact O-N 3.5Å; V410-I413 WeakPolarHBondContact O-CB 3.28Å; V410-I413 PolarHBondContact O-N 3.25Å; V410-I413 VanDerWaalsContact O-N 3.08Å; V410-A414 WeakPolarHBondContact O-CB 3.44Å; V410-A414 PolarHBondContact O-N 3.26Å; V410-L482 HydrophobicContact CB-CD2 4.09Å; V410-L482 HydrophobicContact CG1-CD2 4.23Å; V410-L482 HydrophobicContact CG2-CD1 4.1Å; V410-L482 HydrophobicContact CG2-CD2 4.02Å; V410-L482 HydrophobicContact CG2-CG 4.2Å; V410-I486 HydrophobicContact CG2-CD1 3.82Å; V410-V785 HydrophobicContact CG1-CG1 3.96Å; V410-V785 HydrophobicContact CG1-CG2 4.42Å; V410-F789 HydrophobicContact CG2-CE2 3.82Å; V410-F789 HydrophobicContact CG2-CZ 3.95Å |
| 411 | G | 75.1 | Confident | 80.9 | Confident | 11 Ų | 11 | 24.1 Ų | 24.1 | 11% | 0.113 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.4 | -32.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | H409 R415 | H409-G411 PolarHBondContact O-N 3.44Å; H409-G411 VanDerWaalsContact O-N 3.09Å; G411-R415 WeakPolarHBondContact O-CB 3.28Å; G411-R415 PolarHBondContact O-N 3.4Å; G411-R415 VanDerWaalsContact O-N 3.08Å |
| 412 | T | 82.2 | Confident | 80.6 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -74.4 | -38.9 | 173.7 | -68.3 | 0 | 0 | 0 | 0 | 111.6 | H320 I323 R324 L405 H409 V410 A414 R415 V416 | H320-T412 PolarHBondContact CE1-OG1 3.07Å; H320-T412 PolarHBondContact ND1-OG1 3.44Å; H320-T412 VanDerWaalsContact ND1-OG1 3.08Å; I323-T412 HydrophobicContact CB-CG2 4Å; I323-T412 HydrophobicContact CG2-CG2 3.43Å; I323-T412 VanDerWaalsContact CG2-CG2 3.43Å; R324-T412 HydrophobicContact CB-CG2 4.44Å; L405-T412 HydrophobicContact CD1-CG2 4.11Å; H409-T412 PolarHBondContact O-N 3.26Å; V410-T412 PolarHBondContact O-N 3.5Å; T412-A414 VanDerWaalsContact C-N 3.32Å; T412-A414 PolarHBondContact O-N 3.27Å; T412-R415 PolarHBondContact O-N 3.14Å; T412-V416 WeakPolarHBondContact O-CG2 3.36Å; T412-V416 PolarHBondContact O-N 2.97Å |
| 413 | I | 82.5 | Confident | 80.4 | Confident | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.2 | -45.7 | 174.4 | -51 | -176.3 | 0 | 0 | 0 | 109.8 | S402 F403 H409 V410 R415 V416 F417 | S402-I413 WeakPolarHBondContact O-CG1 3.45Å; F403-I413 HydrophobicContact CD1-CG2 3.82Å; F403-I413 HydrophobicContact CE1-CG2 3.88Å; H409-I413 PolarHBondContact O-N 3.39Å; V410-I413 WeakPolarHBondContact O-CB 3.28Å; V410-I413 PolarHBondContact O-N 3.25Å; V410-I413 VanDerWaalsContact O-N 3.08Å; I413-R415 PolarHBondContact O-N 3.13Å; I413-V416 PolarHBondContact O-N 2.78Å; I413-F417 WeakPolarHBondContact O-CB 3.26Å; I413-F417 PolarHBondContact O-N 3.48Å |
| 414 | A | 80.3 | Confident | 80 | Confident | 6 Ų | 6 | 27.1 Ų | 27.1 | 5% | 0.05 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59 | -47.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V410 T412 V416 F417 R418 F789 | V410-A414 WeakPolarHBondContact O-CB 3.44Å; V410-A414 PolarHBondContact O-N 3.26Å; T412-A414 VanDerWaalsContact C-N 3.32Å; T412-A414 PolarHBondContact O-N 3.27Å; A414-V416 PolarHBondContact O-N 3.49Å; A414-F417 WeakPolarHBondContact O-CB 3.18Å; A414-F417 PolarHBondContact O-N 3.42Å; A414-R418 WeakPolarHBondContact O-CB 3.49Å; A414-R418 PolarHBondContact O-N 2.81Å; A414-F789 HydrophobicContact CB-CD2 4.39Å; A414-F789 HydrophobicContact CB-CE1 4.46Å; A414-F789 HydrophobicContact CB-CE2 3.31Å; A414-F789 HydrophobicContact CB-CZ 3.35Å |
| 415 | R | 81.8 | Confident | 79.7 | Confident | 19 Ų | 19 | 27.4 Ų | 27.4 | 7% | 0.072 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62 | -44.2 | 178.7 | -171.7 | 177.2 | -74.9 | 115.3 | -2 | 111.5 | A327 G411 T412 I413 R418 V419 T779 D781 | A327-R415 HydrophobicContact CB-CG 4.01Å; G411-R415 WeakPolarHBondContact O-CB 3.28Å; G411-R415 PolarHBondContact O-N 3.4Å; G411-R415 VanDerWaalsContact O-N 3.08Å; T412-R415 PolarHBondContact O-N 3.14Å; I413-R415 PolarHBondContact O-N 3.13Å; R415-R418 WeakPolarHBondContact O-CB 3.21Å; R415-R418 PolarHBondContact O-N 3.48Å; R415-V419 WeakPolarHBondContact O-CG2 3.37Å; R415-V419 PolarHBondContact O-N 3.05Å; R415-V419 VanDerWaalsContact O-N 3.08Å; R415-T779 PolarHBondContact NH2-OG1 2.85Å; R415-T779 VanDerWaalsContact NH2-OG1 3.12Å; R415-D781 IonicContact CZ-OD2 3.57Å; R415-D781 IonicContact NH1-OD2 3.5Å; R415-D781 PolarHBondContact NH1-OD2 3.42Å; R415-D781 IonicContact NH2-OD1 2.78Å; R415-D781 PolarHBondContact NH2-OD1 3.44Å; R415-D781 IonicContact NH2-OD2 2.68Å; R415-D781 PolarHBondContact NH2-OD2 2.85Å |
| 416 | V | 86.8 | Confident | 79.2 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.2 | -43.3 | 176.1 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | I323 A327 L399 S402 F403 T412 I413 A414 R418 V419 L420 | I323-V416 HydrophobicContact CG2-CG2 3.52Å; A327-V416 HydrophobicContact CB-CG2 3.91Å; L399-V416 HydrophobicContact CB-CG1 4.37Å; L399-V416 HydrophobicContact CD2-CG1 3.93Å; L399-V416 HydrophobicContact CD2-CG2 3.89Å; S402-V416 VanDerWaalsContact OG-CG1 3.3Å; S402-V416 WeakPolarHBondContact OG-CG1 3.42Å; F403-V416 HydrophobicContact CE2-CG1 4.05Å; F403-V416 HydrophobicContact CZ-CG1 4.47Å; T412-V416 WeakPolarHBondContact O-CG2 3.36Å; T412-V416 PolarHBondContact O-N 2.97Å; I413-V416 PolarHBondContact O-N 2.78Å; A414-V416 PolarHBondContact O-N 3.49Å; V416-R418 VanDerWaalsContact C-N 3.28Å; V416-R418 PolarHBondContact O-N 3.07Å; V416-V419 WeakPolarHBondContact O-CB 3.41Å; V416-V419 PolarHBondContact O-N 2.85Å; V416-L420 HydrophobicContact CG1-CD1 3.95Å; V416-L420 HydrophobicContact CG1-CG 4.37Å; V416-L420 WeakPolarHBondContact O-CG 3.39Å; V416-L420 PolarHBondContact O-N 3.35Å |
| 417 | F | 86.4 | Confident | 78.3 | Confident | 19 Ų | 19 | 39 Ų | 39 | 8% | 0.083 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.4 | -43.2 | 173.8 | 175.9 | -97.3 | 0 | 0 | 0 | 111.6 | F403 I413 A414 L420 R421 L460 R489 I490 L493 | F403-F417 HydrophobicContact CE1-CB 4.5Å; F403-F417 HydrophobicContact CZ-CB 4.29Å; I413-F417 WeakPolarHBondContact O-CB 3.26Å; I413-F417 PolarHBondContact O-N 3.48Å; A414-F417 WeakPolarHBondContact O-CB 3.18Å; A414-F417 PolarHBondContact O-N 3.42Å; F417-L420 PolarHBondContact O-N 3.42Å; F417-R421 VanDerWaalsContact O-CB 3.28Å; F417-R421 WeakPolarHBondContact O-CB 3.49Å; F417-R421 PolarHBondContact O-N 2.85Å; F417-L460 HydrophobicContact CD2-CD2 3.71Å; F417-L460 HydrophobicContact CE2-CD2 4.06Å; F417-R489 HydrophobicContact CE1-CB 4.18Å; F417-R489 HydrophobicContact CZ-CB 3.95Å; F417-I490 HydrophobicContact CD2-CG1 3.92Å; F417-I490 HydrophobicContact CE2-CB 4.35Å; F417-I490 HydrophobicContact CE2-CG1 3.71Å; F417-L493 HydrophobicContact CE2-CB 4.4Å; F417-L493 HydrophobicContact CE2-CD2 3.82Å; F417-L493 HydrophobicContact CZ-CB 4.15Å; F417-L493 HydrophobicContact CZ-CD2 4.01Å |
| 418 | R | 82.3 | Confident | 77.2 | Confident | 83 Ų | 83 | 40.5 Ų | 40.5 | 31% | 0.313 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.7 | -47.1 | 175.4 | -178.1 | 174.8 | 71.3 | -158.8 | -0.1 | 111.8 | A414 R415 V416 L420 R421 E422 E788 | A414-R418 WeakPolarHBondContact O-CB 3.49Å; A414-R418 PolarHBondContact O-N 2.81Å; R415-R418 WeakPolarHBondContact O-CB 3.21Å; R415-R418 PolarHBondContact O-N 3.48Å; V416-R418 VanDerWaalsContact C-N 3.28Å; V416-R418 PolarHBondContact O-N 3.07Å; R418-L420 PolarHBondContact O-N 2.92Å; R418-R421 PolarHBondContact O-N 3.46Å; R418-E422 HydrophobicContact CG-CG 4.46Å; R418-E422 WeakPolarHBondContact CG-OE1 3.33Å; R418-E422 WeakPolarHBondContact O-CB 3.4Å; R418-E422 WeakPolarHBondContact O-CG 3.29Å; R418-E422 PolarHBondContact O-N 2.99Å; R418-E788 IonicContact CZ-OE1 3.81Å; R418-E788 IonicContact NH1-OE1 2.63Å; R418-E788 PolarHBondContact NH1-OE1 3.46Å |
| 419 | V | 83.1 | Confident | 75.6 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.2 | -49.1 | 177 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | A327 A330 R415 V416 R421 E422 W423 | A327-V419 HydrophobicContact CB-CG2 4.48Å; A330-V419 HydrophobicContact CB-CG1 3.7Å; A330-V419 HydrophobicContact CB-CG2 4.47Å; R415-V419 WeakPolarHBondContact O-CG2 3.37Å; R415-V419 PolarHBondContact O-N 3.05Å; R415-V419 VanDerWaalsContact O-N 3.08Å; V416-V419 WeakPolarHBondContact O-CB 3.41Å; V416-V419 PolarHBondContact O-N 2.85Å; V419-R421 PolarHBondContact O-N 2.95Å; V419-E422 PolarHBondContact O-N 3.33Å; V419-W423 HydrophobicContact CG1-CD2 3.81Å; V419-W423 VanDerWaalsContact CG1-CE2 3.41Å; V419-W423 HydrophobicContact CG1-CE3 4.1Å; V419-W423 HydrophobicContact CG1-CH2 3.8Å; V419-W423 HydrophobicContact CG1-CZ2 3.48Å; V419-W423 VanDerWaalsContact CG1-CZ2 3.48Å; V419-W423 HydrophobicContact CG1-CZ3 4.06Å; V419-W423 WeakPolarHBondContact O-CB 3.5Å; V419-W423 PolarHBondContact O-N 2.88Å |
| 420 | L | 83.7 | Confident | 73.5 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.1 | -40.1 | 179.5 | -66.5 | 168.9 | 0 | 0 | 0 | 112.2 | F403 V416 F417 R418 W423 L424 I459 L460 | F403-L420 HydrophobicContact CE2-CD1 3.67Å; F403-L420 HydrophobicContact CZ-CD1 3.98Å; V416-L420 HydrophobicContact CG1-CD1 3.95Å; V416-L420 HydrophobicContact CG1-CG 4.37Å; V416-L420 WeakPolarHBondContact O-CG 3.39Å; V416-L420 PolarHBondContact O-N 3.35Å; F417-L420 PolarHBondContact O-N 3.42Å; R418-L420 PolarHBondContact O-N 2.92Å; L420-W423 HydrophobicContact CD2-CE3 4.01Å; L420-W423 HydrophobicContact CD2-CZ3 4.2Å; L420-W423 PolarHBondContact O-N 3.2Å; L420-L424 WeakPolarHBondContact O-CB 3.5Å; L420-L424 WeakPolarHBondContact O-CG 3.38Å; L420-L424 PolarHBondContact O-N 3.43Å; L420-I459 HydrophobicContact CD1-CB 4.34Å; L420-I459 HydrophobicContact CD1-CG2 3.43Å; L420-I459 VanDerWaalsContact CD1-CG2 3.43Å; L420-I459 HydrophobicContact CD2-CD1 4.35Å; L420-I459 HydrophobicContact CD2-CG2 4.27Å; L420-I459 HydrophobicContact CG-CG2 4.49Å; L420-L460 HydrophobicContact CB-CD2 4.49Å; L420-L460 HydrophobicContact CD1-CD2 3.92Å; L420-L460 HydrophobicContact CD1-CG 4.16Å |
| 421 | R | 83.1 | Confident | 71.4 | Confident | 94 Ų | 94 | 57 Ų | 57 | 36% | 0.355 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.4 | -48.9 | 174.3 | 172 | 171.9 | -179.9 | -95.7 | 3.1 | 111.3 | F417 R418 V419 W423 L424 L425 L493 | F417-R421 VanDerWaalsContact O-CB 3.28Å; F417-R421 WeakPolarHBondContact O-CB 3.49Å; F417-R421 PolarHBondContact O-N 2.85Å; R418-R421 PolarHBondContact O-N 3.46Å; V419-R421 PolarHBondContact O-N 2.95Å; R421-W423 VanDerWaalsContact C-N 3.32Å; R421-W423 PolarHBondContact O-N 3.45Å; R421-L424 PolarHBondContact O-N 3.4Å; R421-L425 HydrophobicContact CG-CD1 3.86Å; R421-L425 HydrophobicContact CG-CG 4.5Å; R421-L425 WeakPolarHBondContact O-CB 3.43Å; R421-L425 VanDerWaalsContact O-CG 3.28Å; R421-L425 WeakPolarHBondContact O-CG 3.49Å; R421-L425 PolarHBondContact O-N 3.5Å; R421-L493 HydrophobicContact CB-CD1 4.21Å; R421-L493 HydrophobicContact CB-CD2 3.99Å; R421-L493 HydrophobicContact CG-CD1 3.82Å; R421-L493 HydrophobicContact CG-CD2 4.48Å |
| 422 | E | 78.4 | Confident | 69.2 | Low | 55 Ų | 55 | 65.7 Ų | 65.7 | 26% | 0.257 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.1 | -46.6 | 177 | -76.9 | 172.3 | -169.9 | 0 | 0 | 111 | S332 R418 V419 L424 L425 Q426 | S332-E422 WeakPolarHBondContact CB-OE2 3.34Å; S332-E422 PolarHBondContact N-OE2 2.75Å; R418-E422 HydrophobicContact CG-CG 4.46Å; R418-E422 WeakPolarHBondContact CG-OE1 3.33Å; R418-E422 WeakPolarHBondContact O-CB 3.4Å; R418-E422 WeakPolarHBondContact O-CG 3.29Å; R418-E422 PolarHBondContact O-N 2.99Å; V419-E422 PolarHBondContact O-N 3.33Å; E422-L424 PolarHBondContact O-N 2.91Å; E422-L425 PolarHBondContact O-N 3.09Å; E422-Q426 WeakPolarHBondContact O-CB 3.31Å; E422-Q426 PolarHBondContact O-N 3.32Å |
| 423 | W | 79.1 | Confident | 67 | Low | 18 Ų | 18 | 70.2 Ų | 70.2 | 7% | 0.068 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.1 | -38.6 | -179.9 | -68.8 | -3.4 | 0 | 0 | 0 | 113.4 | A330 L386 Y396 L399 V419 L420 R421 M447 | A330-W423 HydrophobicContact CB-CH2 3.82Å; A330-W423 HydrophobicContact CB-CZ2 3.54Å; A330-W423 VanDerWaalsContact O-CZ2 3.25Å; A330-W423 WeakPolarHBondContact O-CZ2 3.22Å; A330-W423 PolarHBondContact O-NE1 3.25Å; L386-W423 HydrophobicContact CD1-CZ2 3.99Å; L386-W423 HydrophobicContact CD2-CH2 3.91Å; L386-W423 HydrophobicContact CD2-CZ2 4.11Å; Y396-W423 HydrophobicContact CD1-CZ3 4.25Å; Y396-W423 HydrophobicContact CE1-CH2 4.01Å; Y396-W423 AromaticContact CE1-CZ3 3.62Å; Y396-W423 HydrophobicContact CE1-CZ3 3.62Å; L399-W423 HydrophobicContact CD1-CH2 4Å; L399-W423 HydrophobicContact CD1-CZ3 4.01Å; V419-W423 HydrophobicContact CG1-CD2 3.81Å; V419-W423 VanDerWaalsContact CG1-CE2 3.41Å; V419-W423 HydrophobicContact CG1-CE3 4.1Å; V419-W423 HydrophobicContact CG1-CH2 3.8Å; V419-W423 HydrophobicContact CG1-CZ2 3.48Å; V419-W423 VanDerWaalsContact CG1-CZ2 3.48Å; V419-W423 HydrophobicContact CG1-CZ3 4.06Å; V419-W423 WeakPolarHBondContact O-CB 3.5Å; V419-W423 PolarHBondContact O-N 2.88Å; L420-W423 HydrophobicContact CD2-CE3 4.01Å; L420-W423 HydrophobicContact CD2-CZ3 4.2Å; L420-W423 PolarHBondContact O-N 3.2Å; R421-W423 VanDerWaalsContact C-N 3.32Å; R421-W423 PolarHBondContact O-N 3.45Å; W423-M447 HydrophobicContact CB-CB 3.91Å; W423-M447 HydrophobicContact CB-CG 3.9Å; W423-M447 HydrophobicContact CD2-CG 4.01Å; W423-M447 HydrophobicContact CE3-CG 3.6Å; W423-M447 HydrophobicContact CE3-SD 4.01Å; W423-M447 HydrophobicContact CG-CG 4.22Å; W423-M447 HydrophobicContact CZ3-CG 4.38Å |
| 424 | L | 77.2 | Confident | 64.4 | Low | 11 Ų | 11 | 78.6 Ų | 78.6 | 6% | 0.058 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -70.6 | -31.3 | 176.9 | -78.4 | 170.4 | 0 | 0 | 0 | 112.7 | L420 R421 E422 M453 A456 L460 L493 | L420-L424 WeakPolarHBondContact O-CB 3.5Å; L420-L424 WeakPolarHBondContact O-CG 3.38Å; L420-L424 PolarHBondContact O-N 3.43Å; R421-L424 PolarHBondContact O-N 3.4Å; E422-L424 PolarHBondContact O-N 2.91Å; L424-M453 HydrophobicContact CD2-CG 4.33Å; L424-A456 HydrophobicContact CD1-CB 4.14Å; L424-A456 HydrophobicContact CD2-CB 3.84Å; L424-A456 HydrophobicContact CG-CB 4.04Å; L424-L460 HydrophobicContact CD1-CD1 3.89Å; L424-L493 HydrophobicContact CD1-CD2 4.02Å; L424-L493 HydrophobicContact CD1-CG 4.47Å |
| 425 | L | 74 | Confident | 62.3 | Low | 51 Ų | 51 | 84.8 Ų | 84.8 | 27% | 0.267 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -100.7 | -3.6 | -174.3 | -59.2 | -177.2 | 0 | 0 | 0 | 114.7 | R421 E422 Q427 L493 H496 | R421-L425 HydrophobicContact CG-CD1 3.86Å; R421-L425 HydrophobicContact CG-CG 4.5Å; R421-L425 WeakPolarHBondContact O-CB 3.43Å; R421-L425 VanDerWaalsContact O-CG 3.28Å; R421-L425 WeakPolarHBondContact O-CG 3.49Å; R421-L425 PolarHBondContact O-N 3.5Å; E422-L425 PolarHBondContact O-N 3.09Å; L425-Q427 PolarHBondContact O-N 2.89Å; L425-L493 HydrophobicContact CD1-CD1 4.05Å; L425-L493 HydrophobicContact CD2-CD1 4.34Å; L425-L493 HydrophobicContact CG-CD1 4.19Å; L425-H496 VanDerWaalsContact CD2-CD2 3.48Å; L425-H496 WeakPolarHBondContact CD2-CD2 3.36Å |
| 426 | Q | 68.9 | Low | 60.1 | Low | 104 Ų | 104 | 88.9 Ų | 88.9 | 49% | 0.486 | 45% | 0.454 | S | S | . | . | trans | -63.5 | 124.3 | -178.9 | -160 | 167.2 | 3.3 | 0 | 0 | 111.1 | E422 G428 R505 | E422-Q426 WeakPolarHBondContact O-CB 3.31Å; E422-Q426 PolarHBondContact O-N 3.32Å; Q426-G428 PolarHBondContact O-N 3.45Å; Q426-R505 PolarHBondContact O-NH1 3.26Å | ||
| 427 | Q | 56.3 | Low | 57.7 | Low | 163 Ų | 163 | 98.3 Ų | 98.3 | 76% | 0.762 | 50% | 0.498 | S | S | * | . | trans | -73.6 | 122 | 169.8 | -62.7 | -155.5 | -0.9 | 0 | 0 | 107.8 | L425 E429 | L425-Q427 PolarHBondContact O-N 2.89Å; Q427-E429 PolarHBondContact O-N 3.31Å | ||
| 428 | G | 51 | Low | 55.4 | Low | 44 Ų | 44 | 101.1 Ų | 101.1 | 45% | 0.454 | 53% | 0.525 | S | S | . | . | trans | -59.2 | 112.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q426 E430 | Q426-G428 PolarHBondContact O-N 3.45Å; G428-E430 PolarHBondContact O-N 2.84Å | ||
| 429 | E | 40.2 | Very low | 53.5 | Low | 171 Ų | 171 | 102 Ų | 102 | 80% | 0.799 | 54% | 0.54 | S | S | * | . | trans | -67.1 | 121.6 | 156.2 | -71.1 | 178.6 | 175 | 0 | 0 | 105.4 | Q427 E431 | Q427-E429 PolarHBondContact O-N 3.31Å; E429-E431 PolarHBondContact O-N 3.49Å | ||
| 430 | E | 34.9 | Very low | 51.9 | Low | 190 Ų | 190 | 107.2 Ų | 107.2 | 89% | 0.888 | 58% | 0.576 | S | S | * | * | trans | -64.6 | 84.7 | 171.4 | -70.6 | -176.8 | 164 | 0 | 0 | 107.8 | G428 E432 | G428-E430 PolarHBondContact O-N 2.84Å; E430-E432 VanDerWaalsContact C-N 3.3Å; E430-E432 PolarHBondContact O-N 3.33Å | ||
| 431 | E | 32.8 | Very low | 50.1 | Low | 154 Ų | 154 | 111.2 Ų | 111.2 | 72% | 0.72 | 60% | 0.597 | S | S | * | * | trans | -69.2 | 94 | 167.7 | -76.8 | -169.4 | 166.1 | 0 | 0 | 107.9 | E429 S433 | E429-E431 PolarHBondContact O-N 3.49Å; E431-S433 VanDerWaalsContact C-N 3.3Å; E431-S433 PolarHBondContact O-N 2.85Å; E431-S433 PolarHBondContact O-OG 3.48Å | ||
| 432 | E | 28.8 | Very low | 48.3 | Very low | 195 Ų | 195 | 109.4 Ų | 109.4 | 91% | 0.911 | 60% | 0.597 | S | S | * | * | trans | -52.2 | 92.8 | 163.9 | -76 | -172.3 | 156.7 | 0 | 0 | 109.2 | E430 | E430-E432 VanDerWaalsContact C-N 3.3Å; E430-E432 PolarHBondContact O-N 3.33Å | ||
| 433 | S | 34.5 | Very low | 46.8 | Very low | 96 Ų | 96 | 110.9 Ų | 110.9 | 67% | 0.671 | 61% | 0.609 | S | S | * | * | trans | -125 | 103.6 | -178.7 | 41.3 | 0 | 0 | 0 | 0 | 109.9 | E431 | E431-S433 VanDerWaalsContact C-N 3.3Å; E431-S433 PolarHBondContact O-N 2.85Å; E431-S433 PolarHBondContact O-OG 3.48Å | ||
| 434 | Q | 29.8 | Very low | 45.5 | Very low | 178 Ų | 178 | 113 Ų | 113 | 83% | 0.832 | 63% | 0.627 | S | S | * | * | trans | -50.8 | 138.9 | 172.5 | -67.5 | 177.1 | -11 | 0 | 0 | 110.6 | S436 | Q434-S436 VanDerWaalsContact C-N 3.3Å; Q434-S436 PolarHBondContact O-N 2.96Å | ||
| 435 | P | 34.7 | Very low | 44.3 | Very low | 135 Ų | 135 | 114 Ų | 114 | 88% | 0.877 | 63% | 0.631 | S | S | * | * | trans | -73 | 87.7 | -179.7 | 30.8 | -32.1 | 0 | 0 | 0 | 108.9 | ||||
| 436 | S | 35.6 | Very low | 43.7 | Very low | 105 Ų | 105 | 115.5 Ų | 115.5 | 73% | 0.734 | 64% | 0.636 | S | S | * | * | trans | -80.7 | 137.7 | 165.8 | 65.1 | 0 | 0 | 0 | 0 | 109.3 | Q434 A438 | Q434-S436 VanDerWaalsContact C-N 3.3Å; Q434-S436 PolarHBondContact O-N 2.96Å; S436-A438 PolarHBondContact O-N 3.18Å | ||
| 437 | E | 37.6 | Very low | 43.6 | Very low | 198 Ų | 198 | 111.1 Ų | 111.1 | 93% | 0.925 | 62% | 0.616 | S | S | * | * | trans | -39.4 | 91.8 | -171.3 | -64.4 | 173.6 | 156.7 | 0 | 0 | 113.9 | T439 | E437-T439 PolarHBondContact O-N 3.36Š| ||
| 438 | A | 37.7 | Very low | 43.8 | Very low | 78 Ų | 78 | 107.7 Ų | 107.7 | 65% | 0.645 | 60% | 0.6 | S | S | * | * | trans | -78.3 | 111 | 178 | 0 | 0 | 0 | 0 | 0 | 109.6 | S436 S440 | S436-A438 PolarHBondContact O-N 3.18Å; A438-S440 PolarHBondContact O-N 3.08Å | ||
| 439 | T | 42.4 | Very low | 44.7 | Very low | 103 Ų | 103 | 107.6 Ų | 107.6 | 63% | 0.632 | 59% | 0.59 | S | S | * | * | trans | -48.4 | 135.8 | 156.6 | 52.6 | 0 | 0 | 0 | 0 | 109 | E437 D441 V442 | E437-T439 PolarHBondContact O-N 3.36Å; T439-D441 PolarHBondContact O-N 3.35Å; T439-V442 PolarHBondContact O-N 3.03Å | ||
| 440 | S | 49.4 | Very low | 46.1 | Very low | 108 Ų | 108 | 101.8 Ų | 101.8 | 76% | 0.755 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.2 | -13.7 | -168.1 | 59.5 | 0 | 0 | 0 | 0 | 117.2 | A438 | A438-S440 PolarHBondContact O-N 3.08Š|
| 441 | D | 46.5 | Very low | 47.8 | Very low | 84 Ų | 84 | 96.9 Ų | 96.9 | 45% | 0.449 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 1.7 | -169 | -58.6 | -7.8 | 0 | 0 | 0 | 113.9 | Y388 T439 | Y388-D441 HydrophobicContact CE2-CB 4.31Å; T439-D441 PolarHBondContact O-N 3.35Å |
| 442 | V | 45.6 | Very low | 49.7 | Very low | 57 Ų | 57 | 89.6 Ų | 89.6 | 35% | 0.345 | 51% | 0.51 | S | S | . | . | B | Isolated β-bridge | trans | -111.7 | 85 | 178.5 | -171.2 | 0 | 0 | 0 | 0 | 109.5 | T439 | T439-V442 PolarHBondContact O-N 3.03Å |
| 443 | V | 46.7 | Very low | 52.1 | Low | 85 Ų | 85 | 80.5 Ų | 80.5 | 52% | 0.515 | 47% | 0.468 | S | S | . | . | trans | -104 | 116.9 | 165.2 | -177.9 | 0 | 0 | 0 | 0 | 106.8 | F445 | V443-F445 PolarHBondContact O-N 3.49Š| ||
| 444 | S | 50.1 | Low | 54.3 | Low | 62 Ų | 62 | 77.7 Ų | 77.7 | 43% | 0.434 | 44% | 0.444 | S | S | . | . | trans | -71.9 | 95.9 | 171.5 | 47.5 | 0 | 0 | 0 | 0 | 108.8 | H446 | S444-H446 WeakPolarHBondContact CB-CE1 3.33Å; S444-H446 PolarHBondContact O-N 2.8Å; S444-H446 PolarHBondContact O-ND1 3.32Å; S444-H446 PolarHBondContact OG-CE1 2.76Å | ||
| 445 | F | 52.6 | Low | 56.6 | Low | 34 Ų | 34 | 69.9 Ų | 69.9 | 15% | 0.149 | 41% | 0.408 | C | S | . | . | trans | -74.4 | 106.2 | 174 | -165.4 | -96.5 | 0 | 0 | 0 | 108.6 | I280 Y396 V443 M447 H451 L455 | I280-F445 HydrophobicContact CG2-CD2 3.9Å; I280-F445 HydrophobicContact CG2-CE1 4.46Å; I280-F445 HydrophobicContact CG2-CE2 3.34Å; I280-F445 HydrophobicContact CG2-CZ 3.66Å; Y396-F445 AromaticContact CE2-CD1 3.55Å; Y396-F445 HydrophobicContact CE2-CD1 3.55Å; Y396-F445 AromaticContact CE2-CE1 3.96Å; Y396-F445 HydrophobicContact CE2-CE1 3.96Å; Y396-F445 HydrophobicContact CE2-CG 4.43Å; Y396-F445 AromaticContact CZ-CD1 3.97Å; V443-F445 PolarHBondContact O-N 3.49Å; F445-M447 HydrophobicContact CD1-CE 3.76Å; F445-M447 HydrophobicContact CE1-CE 3.43Å; F445-M447 VanDerWaalsContact CE1-CE 3.43Å; F445-H451 HydrophobicContact CE2-CB 4.23Å; F445-H451 HydrophobicContact CZ-CB 4.13Å; F445-L455 HydrophobicContact CE1-CD2 3.94Å; F445-L455 HydrophobicContact CZ-CD2 4.42Å | ||
| 446 | H | 61.9 | Low | 58.8 | Low | 82 Ų | 82 | 63.5 Ų | 63.5 | 38% | 0.38 | 37% | 0.366 | S | S | . | . | trans | -101.6 | 135.3 | 179.6 | -62.1 | 99.3 | 0 | 0 | 0 | 111.7 | S444 H448 T449 | S444-H446 WeakPolarHBondContact CB-CE1 3.33Å; S444-H446 PolarHBondContact O-N 2.8Å; S444-H446 PolarHBondContact O-ND1 3.32Å; S444-H446 PolarHBondContact OG-CE1 2.76Å; H446-H448 WeakPolarHBondContact CB-CE1 3.34Å; H446-H448 WeakPolarHBondContact CB-ND1 3.49Å; H446-H448 WeakPolarHBondContact CB-NE2 3.5Å; H446-H448 AromaticContact CD2-CE1 3.55Å; H446-H448 AromaticContact CG-CE1 3.29Å; H446-H448 AromaticContact CG-NE2 3.73Å; H446-H448 AromaticContact ND1-CE1 3.98Å; H446-H448 PolarHBondContact O-N 3.41Å; H446-H448 VanDerWaalsContact O-N 3.17Å; H446-T449 HydrophobicContact CB-CG2 4.39Å; H446-T449 WeakPolarHBondContact O-CB 3.46Å; H446-T449 WeakPolarHBondContact O-CG2 3.48Å; H446-T449 PolarHBondContact O-N 2.76Å; H446-T449 PolarHBondContact O-OG1 2.97Å | ||
| 447 | M | 66.1 | Low | 61.1 | Low | 12 Ų | 12 | 58.5 Ų | 58.5 | 6% | 0.059 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -18.3 | 178.8 | -71.9 | -77 | 106.2 | 0 | 0 | 113.9 | Y396 W423 F445 T449 G452 M453 L455 A456 | Y396-M447 HydrophobicContact CD1-CE 4.47Å; Y396-M447 HydrophobicContact CE1-CE 3.8Å; Y396-M447 HydrophobicContact CE1-SD 4.44Å; Y396-M447 HydrophobicContact CE2-CE 4.04Å; W423-M447 HydrophobicContact CB-CB 3.91Å; W423-M447 HydrophobicContact CB-CG 3.9Å; W423-M447 HydrophobicContact CD2-CG 4.01Å; W423-M447 HydrophobicContact CE3-CG 3.6Å; W423-M447 HydrophobicContact CE3-SD 4.01Å; W423-M447 HydrophobicContact CG-CG 4.22Å; W423-M447 HydrophobicContact CZ3-CG 4.38Å; F445-M447 HydrophobicContact CD1-CE 3.76Å; F445-M447 HydrophobicContact CE1-CE 3.43Å; F445-M447 VanDerWaalsContact CE1-CE 3.43Å; M447-T449 VanDerWaalsContact C-N 3.26Å; M447-T449 PolarHBondContact O-N 3.29Å; M447-G452 CarbonylContact O-C 3.5Å; M447-M453 VanDerWaalsContact O-CG 3.29Å; M447-M453 WeakPolarHBondContact O-CG 3.48Å; M447-M453 PolarHBondContact O-N 3.38Å; M447-L455 HydrophobicContact CE-CB 4.47Å; M447-L455 HydrophobicContact CE-CD2 4.17Å; M447-A456 HydrophobicContact SD-CB 3.98Å |
| 448 | H | 62.1 | Low | 63.2 | Low | 90 Ų | 90 | 50.1 Ų | 50.1 | 42% | 0.417 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -11.3 | 174.6 | 58.5 | -110.9 | 0 | 0 | 0 | 113.6 | H446 | H446-H448 WeakPolarHBondContact CB-CE1 3.34Å; H446-H448 WeakPolarHBondContact CB-ND1 3.49Å; H446-H448 WeakPolarHBondContact CB-NE2 3.5Å; H446-H448 AromaticContact CD2-CE1 3.55Å; H446-H448 AromaticContact CG-CE1 3.29Å; H446-H448 AromaticContact CG-NE2 3.73Å; H446-H448 AromaticContact ND1-CE1 3.98Å; H446-H448 PolarHBondContact O-N 3.41Å; H446-H448 VanDerWaalsContact O-N 3.17Å |
| 449 | T | 69.5 | Low | 65.4 | Low | 42 Ų | 42 | 46.5 Ų | 46.5 | 26% | 0.258 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -71.8 | 151.4 | 171.9 | 65.2 | 0 | 0 | 0 | 0 | 110.1 | H446 M447 H451 G452 M453 | H446-T449 HydrophobicContact CB-CG2 4.39Å; H446-T449 WeakPolarHBondContact O-CB 3.46Å; H446-T449 WeakPolarHBondContact O-CG2 3.48Å; H446-T449 PolarHBondContact O-N 2.76Å; H446-T449 PolarHBondContact O-OG1 2.97Å; M447-T449 VanDerWaalsContact C-N 3.26Å; M447-T449 PolarHBondContact O-N 3.29Å; T449-H451 PolarHBondContact O-N 3.41Å; T449-H451 VanDerWaalsContact O-N 3.14Å; T449-G452 WeakPolarHBondContact O-CA 3.33Å; T449-G452 PolarHBondContact O-N 2.94Å; T449-G452 PolarHBondContact OG1-N 2.88Å; T449-G452 VanDerWaalsContact OG1-N 3.1Å; T449-M453 PolarHBondContact O-N 3.04Å |
| 450 | P | 69.2 | Low | 67.6 | Low | 49 Ų | 49 | 41.6 Ų | 41.6 | 32% | 0.318 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -51.7 | -38.3 | 175.5 | -30.7 | 36.6 | 0 | 0 | 0 | 113.8 | K454 T510 | P450-K454 WeakPolarHBondContact O-CG 3.2Å; P450-K454 PolarHBondContact O-N 3.42Å; P450-K454 VanDerWaalsContact O-N 3.13Å; P450-T510 PolarHBondContact O-OG1 2.9Å |
| 451 | H | 69.9 | Low | 69.3 | Low | 88 Ų | 88 | 36.7 Ų | 36.7 | 41% | 0.407 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -68.2 | -42.3 | 176.2 | -59.8 | 107.3 | 0 | 0 | 0 | 112.2 | A284 F445 T449 K454 L455 | A284-H451 HydrophobicContact CB-CB 4.23Å; A284-H451 VanDerWaalsContact CB-CD2 3.41Å; A284-H451 WeakPolarHBondContact CB-CD2 3.4Å; F445-H451 HydrophobicContact CE2-CB 4.23Å; F445-H451 HydrophobicContact CZ-CB 4.13Å; T449-H451 PolarHBondContact O-N 3.41Å; T449-H451 VanDerWaalsContact O-N 3.14Å; H451-K454 PolarHBondContact O-N 3.45Å; H451-L455 PolarHBondContact O-N 2.73Å |
| 452 | G | 74.1 | Confident | 71.1 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.1 | -43.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | M447 T449 L455 A456 | M447-G452 CarbonylContact O-C 3.5Å; T449-G452 WeakPolarHBondContact O-CA 3.33Å; T449-G452 PolarHBondContact O-N 2.94Å; T449-G452 PolarHBondContact OG1-N 2.88Å; T449-G452 VanDerWaalsContact OG1-N 3.1Å; G452-L455 PolarHBondContact O-N 3.46Å; G452-A456 PolarHBondContact O-N 3.41Å |
| 453 | M | 79.1 | Confident | 73 | Confident | 5 Ų | 5 | 30.3 Ų | 30.3 | 3% | 0.025 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.8 | -45 | 175.7 | -69.4 | -173.1 | 176.1 | 0 | 0 | 112 | L424 M447 T449 L455 A456 I457 R505 I506 T510 | L424-M453 HydrophobicContact CD2-CG 4.33Å; M447-M453 VanDerWaalsContact O-CG 3.29Å; M447-M453 WeakPolarHBondContact O-CG 3.48Å; M447-M453 PolarHBondContact O-N 3.38Å; T449-M453 PolarHBondContact O-N 3.04Å; M453-L455 VanDerWaalsContact C-N 3.31Å; M453-L455 PolarHBondContact O-N 2.75Å; M453-A456 PolarHBondContact O-N 3.49Å; M453-I457 VanDerWaalsContact O-CG1 3.31Å; M453-I457 WeakPolarHBondContact O-CG1 3.35Å; M453-I457 PolarHBondContact O-N 2.61Å; M453-R505 HydrophobicContact CE-CB 4.12Å; M453-I506 HydrophobicContact SD-CG1 4.35Å; M453-T510 HydrophobicContact CB-CG2 3.86Å; M453-T510 HydrophobicContact SD-CG2 4.36Å |
| 454 | K | 79.1 | Confident | 74.8 | Confident | 37 Ų | 37 | 26.5 Ų | 26.5 | 16% | 0.161 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.7 | -43.6 | 175.2 | -72.6 | 178.2 | -175.4 | 177.2 | 0 | 111.4 | P450 H451 I457 V458 T510 F513 | P450-K454 WeakPolarHBondContact O-CG 3.2Å; P450-K454 PolarHBondContact O-N 3.42Å; P450-K454 VanDerWaalsContact O-N 3.13Å; H451-K454 PolarHBondContact O-N 3.45Å; K454-I457 PolarHBondContact O-N 2.9Å; K454-V458 WeakPolarHBondContact O-CG2 3.49Å; K454-V458 PolarHBondContact O-N 2.67Å; K454-T510 HydrophobicContact CG-CG2 4.41Å; K454-F513 HydrophobicContact CB-CD1 4Å; K454-F513 HydrophobicContact CB-CE1 4.25Å; K454-F513 HydrophobicContact CB-CG 4.49Å; K454-F513 HydrophobicContact CD-CB 4.45Å; K454-F513 HydrophobicContact CD-CG 4.39Å; K454-F513 HydrophobicContact CG-CB 4.13Å; K454-F513 HydrophobicContact CG-CD1 3.83Å; K454-F513 HydrophobicContact CG-CG 3.97Å; K454-F513 WeakPolarHBondContact O-CE1 3.37Å |
| 455 | L | 78.9 | Confident | 76.3 | Confident | 14 Ų | 14 | 26 Ų | 26 | 7% | 0.073 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.1 | -43.4 | 177.9 | -174.8 | 60.3 | 0 | 0 | 0 | 112 | V283 Y396 F445 M447 H451 G452 M453 I457 V458 I459 | V283-L455 HydrophobicContact CG1-CD1 4.48Å; Y396-L455 HydrophobicContact CD1-CD2 4.35Å; Y396-L455 HydrophobicContact CD2-CD2 3.32Å; Y396-L455 HydrophobicContact CE2-CD2 3.89Å; Y396-L455 HydrophobicContact CG-CD2 3.6Å; Y396-L455 HydrophobicContact CG-CG 4.5Å; F445-L455 HydrophobicContact CE1-CD2 3.94Å; F445-L455 HydrophobicContact CZ-CD2 4.42Å; M447-L455 HydrophobicContact CE-CB 4.47Å; M447-L455 HydrophobicContact CE-CD2 4.17Å; H451-L455 PolarHBondContact O-N 2.73Å; G452-L455 PolarHBondContact O-N 3.46Å; M453-L455 VanDerWaalsContact C-N 3.31Å; M453-L455 PolarHBondContact O-N 2.75Å; L455-I457 VanDerWaalsContact C-N 3.33Å; L455-I457 PolarHBondContact O-N 2.57Å; L455-V458 WeakPolarHBondContact O-CB 3.3Å; L455-V458 PolarHBondContact O-N 2.63Å; L455-I459 HydrophobicContact CG-CD1 4.12Å; L455-I459 VanDerWaalsContact O-CG1 3.28Å; L455-I459 WeakPolarHBondContact O-CG1 2.85Å; L455-I459 PolarHBondContact O-N 3.33Å |
| 456 | A | 81.4 | Confident | 77.4 | Confident | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.008 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.9 | -40.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L424 M447 G452 M453 I459 L460 | L424-A456 HydrophobicContact CD1-CB 4.14Å; L424-A456 HydrophobicContact CD2-CB 3.84Å; L424-A456 HydrophobicContact CG-CB 4.04Å; M447-A456 HydrophobicContact SD-CB 3.98Å; G452-A456 PolarHBondContact O-N 3.41Å; M453-A456 PolarHBondContact O-N 3.49Å; A456-I459 PolarHBondContact O-N 3.11Å; A456-L460 WeakPolarHBondContact O-CG 3.22Å; A456-L460 PolarHBondContact O-N 3.05Å |
| 457 | I | 83.8 | Confident | 77.8 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62 | -45.9 | 173.8 | -67.1 | 163.8 | 0 | 0 | 0 | 110.2 | M453 K454 L455 I459 L460 M461 F494 T510 F513 L514 A517 | M453-I457 VanDerWaalsContact O-CG1 3.31Å; M453-I457 WeakPolarHBondContact O-CG1 3.35Å; M453-I457 PolarHBondContact O-N 2.61Å; K454-I457 PolarHBondContact O-N 2.9Å; L455-I457 VanDerWaalsContact C-N 3.33Å; L455-I457 PolarHBondContact O-N 2.57Å; I457-I459 VanDerWaalsContact C-N 3.32Å; I457-I459 PolarHBondContact O-N 2.69Å; I457-L460 PolarHBondContact O-N 2.91Å; I457-M461 HydrophobicContact CG2-CG 4.19Å; I457-M461 WeakPolarHBondContact O-CB 3.01Å; I457-M461 VanDerWaalsContact O-CG 3.25Å; I457-M461 WeakPolarHBondContact O-CG 3.29Å; I457-M461 PolarHBondContact O-N 2.78Å; I457-F494 HydrophobicContact CB-CZ 4.35Å; I457-F494 HydrophobicContact CG1-CE1 4.08Å; I457-F494 HydrophobicContact CG1-CZ 4.28Å; I457-F494 HydrophobicContact CG2-CZ 3.92Å; I457-T510 HydrophobicContact CD1-CG2 4.29Å; I457-F513 HydrophobicContact CB-CD1 4.17Å; I457-F513 HydrophobicContact CB-CE1 3.86Å; I457-F513 HydrophobicContact CD1-CD1 4.23Å; I457-F513 HydrophobicContact CG2-CD1 3.94Å; I457-F513 HydrophobicContact CG2-CE1 3.6Å; I457-L514 HydrophobicContact CD1-CB 4.15Å; I457-L514 HydrophobicContact CD1-CD1 4.04Å; I457-L514 HydrophobicContact CG1-CD1 4.39Å; I457-L514 HydrophobicContact CG2-CD1 4.5Å; I457-A517 HydrophobicContact CG2-CB 3.8Å |
| 458 | V | 82 | Confident | 78.1 | Confident | 22 Ų | 22 | 27 Ų | 27 | 13% | 0.133 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.8 | -44.5 | 176 | 171 | 0 | 0 | 0 | 0 | 111.6 | K454 L455 M461 S462 F513 | K454-V458 WeakPolarHBondContact O-CG2 3.49Å; K454-V458 PolarHBondContact O-N 2.67Å; L455-V458 WeakPolarHBondContact O-CB 3.3Å; L455-V458 PolarHBondContact O-N 2.63Å; V458-M461 PolarHBondContact O-N 3.47Å; V458-S462 PolarHBondContact O-N 3.44Å; V458-S462 VanDerWaalsContact O-N 3.1Å; V458-F513 HydrophobicContact CG2-CE1 3.81Å; V458-F513 HydrophobicContact CG2-CZ 3.42Å; V458-F513 VanDerWaalsContact CG2-CZ 3.42Å |
| 459 | I | 84 | Confident | 78.7 | Confident | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.2 | -42.5 | 178.9 | -68.5 | 167.2 | 0 | 0 | 0 | 110.7 | Y396 R400 F403 L420 L455 A456 I457 M461 S462 | Y396-I459 HydrophobicContact CD1-CD1 4.33Å; R400-I459 HydrophobicContact CB-CG1 4.25Å; F403-I459 HydrophobicContact CD2-CG2 4.08Å; F403-I459 WeakPolarHBondContact CD2-O 3.46Å; F403-I459 HydrophobicContact CE2-CG2 3.81Å; L420-I459 HydrophobicContact CD1-CB 4.34Å; L420-I459 HydrophobicContact CD1-CG2 3.43Å; L420-I459 VanDerWaalsContact CD1-CG2 3.43Å; L420-I459 HydrophobicContact CD2-CD1 4.35Å; L420-I459 HydrophobicContact CD2-CG2 4.27Å; L420-I459 HydrophobicContact CG-CG2 4.49Å; L455-I459 HydrophobicContact CG-CD1 4.12Å; L455-I459 VanDerWaalsContact O-CG1 3.28Å; L455-I459 WeakPolarHBondContact O-CG1 2.85Å; L455-I459 PolarHBondContact O-N 3.33Å; A456-I459 PolarHBondContact O-N 3.11Å; I457-I459 VanDerWaalsContact C-N 3.32Å; I457-I459 PolarHBondContact O-N 2.69Å; I459-M461 VanDerWaalsContact C-N 3.32Å; I459-S462 PolarHBondContact O-N 2.7Å; I459-S462 PolarHBondContact O-OG 3.43Å |
| 460 | L | 87.4 | Confident | 78.5 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -69.3 | -32.4 | 176.5 | -70.4 | 166.9 | 0 | 0 | 0 | 112.1 | F403 F417 L420 L424 A456 I457 S462 F463 I490 L493 F494 | F403-L460 HydrophobicContact CE1-CD2 4.35Å; F403-L460 HydrophobicContact CE2-CD2 4.32Å; F403-L460 HydrophobicContact CZ-CD2 3.73Å; F417-L460 HydrophobicContact CD2-CD2 3.71Å; F417-L460 HydrophobicContact CE2-CD2 4.06Å; L420-L460 HydrophobicContact CB-CD2 4.49Å; L420-L460 HydrophobicContact CD1-CD2 3.92Å; L420-L460 HydrophobicContact CD1-CG 4.16Å; L424-L460 HydrophobicContact CD1-CD1 3.89Å; A456-L460 WeakPolarHBondContact O-CG 3.22Å; A456-L460 PolarHBondContact O-N 3.05Å; I457-L460 PolarHBondContact O-N 2.91Å; L460-S462 VanDerWaalsContact C-N 3.35Å; L460-F463 WeakPolarHBondContact O-CB 3.25Å; L460-F463 PolarHBondContact O-N 3.48Å; L460-I490 HydrophobicContact CB-CG2 3.99Å; L460-I490 HydrophobicContact CD2-CG1 4.28Å; L460-I490 HydrophobicContact CD2-CG2 4.43Å; L460-L493 HydrophobicContact CD1-CD2 3.91Å; L460-F494 HydrophobicContact CB-CE1 4.23Å; L460-F494 HydrophobicContact CB-CZ 4Å; L460-F494 HydrophobicContact CD1-CD1 4.47Å; L460-F494 HydrophobicContact CD1-CE1 3.58Å; L460-F494 HydrophobicContact CD1-CZ 4.21Å |
| 461 | M | 86 | Confident | 78.1 | Confident | 5 Ų | 5 | 27.8 Ų | 27.8 | 3% | 0.025 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -71.3 | -23.8 | 177.4 | -71.5 | -53.9 | 85 | 0 | 0 | 114.5 | I457 V458 I459 F463 F464 I490 F494 A517 T521 | I457-M461 HydrophobicContact CG2-CG 4.19Å; I457-M461 WeakPolarHBondContact O-CB 3.01Å; I457-M461 VanDerWaalsContact O-CG 3.25Å; I457-M461 WeakPolarHBondContact O-CG 3.29Å; I457-M461 PolarHBondContact O-N 2.78Å; V458-M461 PolarHBondContact O-N 3.47Å; I459-M461 VanDerWaalsContact C-N 3.32Å; M461-F463 PolarHBondContact O-N 2.63Å; M461-F463 VanDerWaalsContact O-N 3.09Å; M461-F464 HydrophobicContact CE-CD2 3.36Å; M461-F464 HydrophobicContact CE-CE2 3.31Å; M461-F464 PolarHBondContact O-N 3.09Å; M461-F464 HydrophobicContact SD-CD2 3.79Å; M461-F464 HydrophobicContact SD-CE2 4.22Å; M461-I490 HydrophobicContact CE-CG2 3.88Å; M461-F494 HydrophobicContact CE-CD2 4.2Å; M461-F494 HydrophobicContact CE-CE2 3.08Å; M461-F494 HydrophobicContact CE-CZ 3.39Å; M461-F494 HydrophobicContact SD-CE2 3.9Å; M461-F494 HydrophobicContact SD-CZ 4.39Å; M461-A517 HydrophobicContact CG-CB 3.8Å; M461-A517 HydrophobicContact SD-CB 4.02Å; M461-T521 PolarHBondContact SD-OG1 3.35Å; M461-T521 VanDerWaalsContact SD-OG1 3.33Å |
| 462 | S | 82.9 | Confident | 77.2 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.007 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -20.4 | 175.1 | 65.5 | 0 | 0 | 0 | 0 | 113 | R400 F403 L404 V458 I459 L460 F464 D465 S466 | R400-S462 WeakPolarHBondContact CG-OG 2.99Å; R400-S462 PolarHBondContact O-OG 3.02Å; R400-S462 VanDerWaalsContact O-OG 3.13Å; F403-S462 WeakPolarHBondContact CB-OG 3.35Å; L404-S462 WeakPolarHBondContact CD2-O 3.26Å; V458-S462 PolarHBondContact O-N 3.44Å; V458-S462 VanDerWaalsContact O-N 3.1Å; I459-S462 PolarHBondContact O-N 2.7Å; I459-S462 PolarHBondContact O-OG 3.43Å; L460-S462 VanDerWaalsContact C-N 3.35Å; S462-F464 VanDerWaalsContact C-N 3.3Å; S462-F464 PolarHBondContact O-N 2.9Å; S462-D465 PolarHBondContact O-N 2.93Å; S462-S466 PolarHBondContact O-N 3.16Å |
| 463 | F | 86.1 | Confident | 76 | Confident | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.026 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -38.9 | 170 | -170.1 | -110.3 | 0 | 0 | 0 | 112.4 | F403 L460 M461 D465 S466 L469 V483 I486 C487 I490 | F403-F463 HydrophobicContact CB-CB 3.84Å; F403-F463 HydrophobicContact CB-CD2 4.14Å; F403-F463 HydrophobicContact CD1-CB 3.67Å; F403-F463 AromaticContact CD1-CD2 3.81Å; F403-F463 HydrophobicContact CD1-CD2 3.81Å; F403-F463 HydrophobicContact CD1-CG 4.02Å; F403-F463 HydrophobicContact CG-CB 4.02Å; F403-F463 HydrophobicContact CG-CD2 4.48Å; L460-F463 WeakPolarHBondContact O-CB 3.25Å; L460-F463 PolarHBondContact O-N 3.48Å; M461-F463 PolarHBondContact O-N 2.63Å; M461-F463 VanDerWaalsContact O-N 3.09Å; F463-D465 VanDerWaalsContact C-N 3.27Å; F463-D465 PolarHBondContact O-N 3.14Å; F463-S466 WeakPolarHBondContact O-CB 2.99Å; F463-S466 PolarHBondContact O-N 3.24Å; F463-L469 VanDerWaalsContact O-CD1 3.28Å; F463-L469 WeakPolarHBondContact O-CD1 3.04Å; F463-V483 HydrophobicContact CE1-CG1 4.39Å; F463-V483 HydrophobicContact CZ-CG1 4.16Å; F463-I486 HydrophobicContact CD1-CG2 4.08Å; F463-I486 HydrophobicContact CD2-CG2 4.22Å; F463-I486 HydrophobicContact CE1-CB 3.93Å; F463-I486 HydrophobicContact CE1-CG2 3.61Å; F463-I486 HydrophobicContact CE2-CB 4.39Å; F463-I486 HydrophobicContact CE2-CD1 4.29Å; F463-I486 HydrophobicContact CE2-CG2 3.79Å; F463-I486 HydrophobicContact CG-CG2 4.35Å; F463-I486 HydrophobicContact CZ-CB 3.69Å; F463-I486 HydrophobicContact CZ-CD1 4.09Å; F463-I486 HydrophobicContact CZ-CG2 3.46Å; F463-I486 VanDerWaalsContact CZ-CG2 3.46Å; F463-C487 VanDerWaalsContact CE1-SG 3.57Å; F463-I490 HydrophobicContact CB-CD1 3.8Å; F463-I490 HydrophobicContact CD1-CD1 3.71Å; F463-I490 HydrophobicContact CG-CD1 3.86Å |
| 464 | F | 85.5 | Confident | 74.5 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -16.5 | -179 | -65.2 | -75.8 | 0 | 0 | 0 | 114 | M461 S462 L469 C487 I490 L491 T521 V525 | M461-F464 HydrophobicContact CE-CD2 3.36Å; M461-F464 HydrophobicContact CE-CE2 3.31Å; M461-F464 PolarHBondContact O-N 3.09Å; M461-F464 HydrophobicContact SD-CD2 3.79Å; M461-F464 HydrophobicContact SD-CE2 4.22Å; S462-F464 VanDerWaalsContact C-N 3.3Å; S462-F464 PolarHBondContact O-N 2.9Å; F464-L469 VanDerWaalsContact CA-CD1 3.41Å; F464-L469 HydrophobicContact CB-CD1 4.36Å; F464-L469 HydrophobicContact CD1-CD1 4.23Å; F464-L469 WeakPolarHBondContact O-CD1 3.1Å; F464-C487 HydrophobicContact CE1-CB 4.06Å; F464-C487 HydrophobicContact CZ-CB 4.35Å; F464-I490 HydrophobicContact CE2-CB 4.33Å; F464-I490 HydrophobicContact CE2-CD1 4.44Å; F464-I490 HydrophobicContact CE2-CG2 3.85Å; F464-I490 HydrophobicContact CZ-CB 4.49Å; F464-I490 HydrophobicContact CZ-CG2 4.43Å; F464-L491 HydrophobicContact CZ-CD2 4.36Å; F464-L491 HydrophobicContact CZ-CG 4.16Å; F464-T521 HydrophobicContact CD1-CG2 3.54Å; F464-T521 HydrophobicContact CD2-CG2 4.14Å; F464-T521 HydrophobicContact CE1-CG2 3.48Å; F464-T521 VanDerWaalsContact CE1-CG2 3.48Å; F464-T521 HydrophobicContact CE2-CG2 4.12Å; F464-T521 HydrophobicContact CG-CG2 3.85Å; F464-T521 HydrophobicContact CZ-CG2 3.79Å; F464-V525 HydrophobicContact CD1-CG2 3.56Å; F464-V525 HydrophobicContact CE1-CG2 4.06Å |
| 465 | D | 79.9 | Confident | 73.1 | Confident | 52 Ų | 52 | 49 Ų | 49 | 28% | 0.278 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 2.6 | 172.2 | -65.1 | -50.3 | 0 | 0 | 0 | 112.6 | S462 F463 H520 R524 | S462-D465 PolarHBondContact O-N 2.93Å; F463-D465 VanDerWaalsContact C-N 3.27Å; F463-D465 PolarHBondContact O-N 3.14Å; D465-H520 IonicContact OD1-CD2 3.54Å; D465-H520 IonicContact OD1-CE1 2.64Å; D465-H520 IonicContact OD1-NE2 2.81Å; D465-H520 PolarHBondContact OD1-NE2 3.1Å; D465-H520 IonicContact OD2-NE2 3.83Å; D465-H520 PolarHBondContact OD2-NE2 2.82Å; D465-R524 IonicContact OD1-CZ 2.68Å; D465-R524 IonicContact OD1-NE 3.22Å; D465-R524 PolarHBondContact OD1-NE 3.44Å; D465-R524 IonicContact OD1-NH2 2.86Å |
| 466 | S | 77.1 | Confident | 71.9 | Confident | 8 Ų | 8 | 49 Ų | 49 | 6% | 0.056 | 27% | 0.267 | C | S | . | . | trans | -69.8 | 136.7 | -177.7 | -174.2 | 0 | 0 | 0 | 0 | 111.7 | F403 S462 F463 Y468 L469 | F403-S466 PolarHBondContact O-OG 2.92Å; S462-S466 PolarHBondContact O-N 3.16Å; F463-S466 WeakPolarHBondContact O-CB 2.99Å; F463-S466 PolarHBondContact O-N 3.24Å; S466-Y468 PolarHBondContact O-N 3.19Å; S466-Y468 VanDerWaalsContact O-N 3.07Å; S466-Y468 VanDerWaalsContact OG-CD2 3.28Å; S466-Y468 WeakPolarHBondContact OG-CD2 3.12Å; S466-L469 PolarHBondContact O-N 2.96Å | ||
| 467 | P | 71 | Confident | 70.9 | Confident | 98 Ų | 98 | 56.8 Ų | 56.8 | 64% | 0.636 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -62.9 | -16.6 | 176 | 27 | -35 | 0 | 0 | 0 | 113 | L469 | P467-L469 VanDerWaalsContact C-N 3.28Å; P467-L469 PolarHBondContact O-N 2.95Å |
| 468 | Y | 72.2 | Confident | 70 | Confident | 43 Ų | 43 | 64.9 Ų | 64.9 | 17% | 0.169 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -80.3 | -2.2 | -178.6 | -56.5 | -52.8 | 0 | 0 | 0 | 114.4 | L404 L405 P406 S466 F471 | L404-Y468 WeakPolarHBondContact O-CE2 3.49Å; L405-Y468 VanDerWaalsContact C-CE2 3.4Å; L405-Y468 WeakPolarHBondContact O-CD2 3.27Å; L405-Y468 WeakPolarHBondContact O-CE2 2.94Å; P406-Y468 HydrophobicContact CB-CE1 4.27Å; P406-Y468 HydrophobicContact CB-CE2 4.27Å; S466-Y468 PolarHBondContact O-N 3.19Å; S466-Y468 VanDerWaalsContact O-N 3.07Å; S466-Y468 VanDerWaalsContact OG-CD2 3.28Å; S466-Y468 WeakPolarHBondContact OG-CD2 3.12Å; Y468-F471 HydrophobicContact CD1-CE1 4.19Å; Y468-F471 AromaticContact CD1-CE2 3.79Å; Y468-F471 HydrophobicContact CD1-CE2 3.79Å; Y468-F471 AromaticContact CD1-CZ 3.33Å; Y468-F471 HydrophobicContact CD1-CZ 3.33Å; Y468-F471 HydrophobicContact CE1-CZ 4.16Å; Y468-F471 HydrophobicContact CG-CE2 4.11Å; Y468-F471 HydrophobicContact CG-CZ 4.11Å; Y468-F471 WeakPolarHBondContact O-CD2 3.32Å; Y468-F471 VanDerWaalsContact O-CE2 3.31Å; Y468-F471 WeakPolarHBondContact O-CE2 3.08Å |
| 469 | L | 73 | Confident | 69.4 | Low | 11 Ų | 11 | 66.7 Ų | 66.7 | 6% | 0.058 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -71.7 | -34 | 175.1 | -105.9 | 156.9 | 0 | 0 | 0 | 113.3 | F463 F464 S466 P467 V483 V525 V536 | F463-L469 VanDerWaalsContact O-CD1 3.28Å; F463-L469 WeakPolarHBondContact O-CD1 3.04Å; F464-L469 VanDerWaalsContact CA-CD1 3.41Å; F464-L469 HydrophobicContact CB-CD1 4.36Å; F464-L469 HydrophobicContact CD1-CD1 4.23Å; F464-L469 WeakPolarHBondContact O-CD1 3.1Å; S466-L469 PolarHBondContact O-N 2.96Å; P467-L469 VanDerWaalsContact C-N 3.28Å; P467-L469 PolarHBondContact O-N 2.95Å; L469-V483 HydrophobicContact CD2-CG1 3.93Å; L469-V483 HydrophobicContact CG-CG1 4.33Å; L469-V525 HydrophobicContact CD2-CG2 4.46Å; L469-V536 HydrophobicContact CD2-CG1 4.01Å |
| 470 | N | 65.3 | Low | 68.8 | Low | 98 Ų | 98 | 67 Ų | 67 | 52% | 0.524 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -107.2 | 41.8 | -169.7 | -70.4 | -12 | 0 | 0 | 0 | 113.4 | A472 | N470-A472 PolarHBondContact O-N 3.36Š|
| 471 | F | 62 | Low | 68.4 | Low | 88 Ų | 88 | 70.4 Ų | 70.4 | 39% | 0.386 | 37% | 0.374 | S | S | . | . | trans | -63.8 | 111.5 | 175.9 | -77.3 | -68.6 | 0 | 0 | 0 | 111.4 | L407 Y468 A476 | L407-F471 HydrophobicContact CD1-CD2 4.33Å; L407-F471 HydrophobicContact CD1-CE2 3.77Å; L407-F471 HydrophobicContact CG-CE2 4.46Å; Y468-F471 HydrophobicContact CD1-CE1 4.19Å; Y468-F471 AromaticContact CD1-CE2 3.79Å; Y468-F471 HydrophobicContact CD1-CE2 3.79Å; Y468-F471 AromaticContact CD1-CZ 3.33Å; Y468-F471 HydrophobicContact CD1-CZ 3.33Å; Y468-F471 HydrophobicContact CE1-CZ 4.16Å; Y468-F471 HydrophobicContact CG-CE2 4.11Å; Y468-F471 HydrophobicContact CG-CZ 4.11Å; Y468-F471 WeakPolarHBondContact O-CD2 3.32Å; Y468-F471 VanDerWaalsContact O-CE2 3.31Å; Y468-F471 WeakPolarHBondContact O-CE2 3.08Å; F471-A476 HydrophobicContact CB-CB 3.89Å | ||
| 472 | A | 50.2 | Low | 67.9 | Low | 94 Ų | 94 | 71.7 Ų | 71.7 | 78% | 0.777 | 38% | 0.381 | S | S | * | . | trans | -91.3 | -4.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | N470 | N470-A472 PolarHBondContact O-N 3.36Š| ||
| 473 | N | 49.3 | Very low | 67.8 | Low | 126 Ų | 126 | 71.8 Ų | 71.8 | 67% | 0.674 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -98.1 | 150.2 | -170.7 | -68.1 | -9.7 | 0 | 0 | 0 | 113 | F475 A476 | N473-F475 PolarHBondContact O-N 2.92Å; N473-A476 WeakPolarHBondContact O-CA 3.41Å; N473-A476 WeakPolarHBondContact O-CB 3.39Å; N473-A476 PolarHBondContact O-N 3.44Å |
| 474 | D | 47.7 | Very low | 67.7 | Low | 167 Ų | 167 | 71.6 Ų | 71.6 | 89% | 0.893 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -24 | -172.1 | -64.5 | -37 | 0 | 0 | 0 | 117.2 | A476 | D474-A476 PolarHBondContact O-N 3.48Š|
| 475 | F | 50.3 | Low | 67.5 | Low | 190 Ų | 190 | 75.8 Ų | 75.8 | 83% | 0.833 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -1.8 | 170.1 | -77.2 | -86.1 | 0 | 0 | 0 | 113.4 | N473 | N473-F475 PolarHBondContact O-N 2.92Š|
| 476 | A | 53.5 | Low | 67.7 | Low | 12 Ų | 12 | 73.5 Ų | 73.5 | 10% | 0.099 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -76.9 | -23.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | F471 N473 D474 Q478 N479 A480 | F471-A476 HydrophobicContact CB-CB 3.89Å; N473-A476 WeakPolarHBondContact O-CA 3.41Å; N473-A476 WeakPolarHBondContact O-CB 3.39Å; N473-A476 PolarHBondContact O-N 3.44Å; D474-A476 PolarHBondContact O-N 3.48Å; A476-Q478 PolarHBondContact O-N 3.12Å; A476-N479 CarbonylContact O-C 3.54Å; A476-N479 PolarHBondContact O-N 3.38Å; A476-N479 VanDerWaalsContact O-N 3.1Å; A476-A480 WeakPolarHBondContact O-CB 3.39Å; A476-A480 PolarHBondContact O-N 2.89Å |
| 477 | Q | 60.1 | Low | 68.1 | Low | 165 Ų | 165 | 73.1 Ų | 73.1 | 77% | 0.771 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -61.3 | -45.6 | -171.1 | -111.3 | -178.2 | -4.2 | 0 | 0 | 113.7 | N479 A480 | Q477-N479 VanDerWaalsContact C-N 3.33Å; Q477-A480 PolarHBondContact O-N 2.93Å |
| 478 | Q | 64.7 | Low | 68.9 | Low | 170 Ų | 170 | 70.4 Ų | 70.4 | 79% | 0.794 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -68 | -32.9 | 175.4 | -74.3 | -177.3 | -7.1 | 0 | 0 | 112.5 | A476 T481 | A476-Q478 PolarHBondContact O-N 3.12Å; Q478-T481 PolarHBondContact O-OG1 3.28Å |
| 479 | N | 68.4 | Low | 69.5 | Low | 61 Ų | 61 | 71.5 Ų | 71.5 | 33% | 0.326 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -77.5 | -31.1 | 178 | -74.3 | -23.9 | 0 | 0 | 0 | 112.2 | L407 A476 Q477 T481 L482 V483 | L407-N479 HydrophobicContact CD1-CB 3.81Å; A476-N479 CarbonylContact O-C 3.54Å; A476-N479 PolarHBondContact O-N 3.38Å; A476-N479 VanDerWaalsContact O-N 3.1Å; Q477-N479 VanDerWaalsContact C-N 3.33Å; N479-T481 PolarHBondContact O-N 3.09Å; N479-L482 PolarHBondContact O-N 3.25Å; N479-V483 VanDerWaalsContact O-CG2 3.27Å; N479-V483 WeakPolarHBondContact O-CG2 3.38Å; N479-V483 PolarHBondContact O-N 3.1Å |
| 480 | A | 73.1 | Confident | 70.3 | Confident | 8 Ų | 8 | 71 Ų | 71 | 7% | 0.066 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.7 | -39.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | A476 Q477 V483 A484 P535 V536 | A476-A480 WeakPolarHBondContact O-CB 3.39Å; A476-A480 PolarHBondContact O-N 2.89Å; Q477-A480 PolarHBondContact O-N 2.93Å; A480-V483 PolarHBondContact O-N 3.23Å; A480-A484 WeakPolarHBondContact O-CB 3.49Å; A480-A484 PolarHBondContact O-N 3.33Å; A480-P535 HydrophobicContact CB-CB 4.35Å; A480-V536 HydrophobicContact CB-CG2 3.84Å |
| 481 | T | 77.5 | Confident | 71.5 | Confident | 71 Ų | 71 | 66.3 Ų | 66.3 | 44% | 0.436 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 174.8 | 56.7 | 0 | 0 | 0 | 0 | 111.3 | Q478 N479 A484 Q485 | Q478-T481 PolarHBondContact O-OG1 3.28Å; N479-T481 PolarHBondContact O-N 3.09Å; T481-A484 PolarHBondContact O-N 2.85Å; T481-Q485 VanDerWaalsContact O-CG 3.31Å; T481-Q485 WeakPolarHBondContact O-CG 3.25Å; T481-Q485 PolarHBondContact O-N 2.97Å |
| 482 | L | 77 | Confident | 72.7 | Confident | 33 Ų | 33 | 63.7 Ų | 63.7 | 17% | 0.173 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.4 | -46.2 | 176.8 | -173.6 | 67 | 0 | 0 | 0 | 112 | V410 N479 A484 Q485 I486 | V410-L482 HydrophobicContact CB-CD2 4.09Å; V410-L482 HydrophobicContact CG1-CD2 4.23Å; V410-L482 HydrophobicContact CG2-CD1 4.1Å; V410-L482 HydrophobicContact CG2-CD2 4.02Å; V410-L482 HydrophobicContact CG2-CG 4.2Å; N479-L482 PolarHBondContact O-N 3.25Å; L482-A484 VanDerWaalsContact C-N 3.32Å; L482-A484 PolarHBondContact O-N 3.22Å; L482-Q485 WeakPolarHBondContact O-CB 3.46Å; L482-Q485 PolarHBondContact O-N 3.4Å; L482-I486 WeakPolarHBondContact O-CG1 3.42Å; L482-I486 PolarHBondContact O-N 2.94Å; L482-I486 VanDerWaalsContact O-N 3.09Å |
| 483 | V | 81 | Confident | 74.4 | Confident | 3 Ų | 3 | 59.6 Ų | 59.6 | 2% | 0.018 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.9 | -46.1 | 174.8 | 172.6 | 0 | 0 | 0 | 0 | 110.3 | L407 F463 L469 N479 A480 Q485 I486 C487 V536 | L407-V483 HydrophobicContact CD1-CG2 3.41Å; L407-V483 VanDerWaalsContact CD1-CG2 3.41Å; L407-V483 HydrophobicContact CD2-CG2 3.7Å; L407-V483 HydrophobicContact CG-CG2 4.19Å; F463-V483 HydrophobicContact CE1-CG1 4.39Å; F463-V483 HydrophobicContact CZ-CG1 4.16Å; L469-V483 HydrophobicContact CD2-CG1 3.93Å; L469-V483 HydrophobicContact CG-CG1 4.33Å; N479-V483 VanDerWaalsContact O-CG2 3.27Å; N479-V483 WeakPolarHBondContact O-CG2 3.38Å; N479-V483 PolarHBondContact O-N 3.1Å; A480-V483 PolarHBondContact O-N 3.23Å; V483-Q485 VanDerWaalsContact C-N 3.34Å; V483-Q485 PolarHBondContact O-N 2.76Å; V483-I486 PolarHBondContact O-N 3.48Å; V483-C487 PolarHBondContact O-N 3.02Å; V483-C487 PolarHBondContact O-SG 2.68Å; V483-C487 VanDerWaalsContact O-SG 3.42Å; V483-V536 HydrophobicContact CB-CG2 4.31Å; V483-V536 HydrophobicContact CG1-CG1 3.96Å; V483-V536 HydrophobicContact CG1-CG2 4.16Å |
| 484 | A | 82.7 | Confident | 76.3 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 2% | 0.017 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.8 | -41.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A480 T481 L482 I486 C487 V488 V536 I539 V540 | A480-A484 WeakPolarHBondContact O-CB 3.49Å; A480-A484 PolarHBondContact O-N 3.33Å; T481-A484 PolarHBondContact O-N 2.85Å; L482-A484 VanDerWaalsContact C-N 3.32Å; L482-A484 PolarHBondContact O-N 3.22Å; A484-I486 VanDerWaalsContact C-N 3.34Å; A484-I486 PolarHBondContact O-N 3.27Å; A484-C487 WeakPolarHBondContact O-CB 3.37Å; A484-C487 PolarHBondContact O-N 3.46Å; A484-V488 WeakPolarHBondContact O-CB 3.35Å; A484-V488 VanDerWaalsContact O-CG2 3.23Å; A484-V488 WeakPolarHBondContact O-CG2 3.25Å; A484-V488 PolarHBondContact O-N 3.3Å; A484-V536 HydrophobicContact CB-CG1 4.42Å; A484-I539 HydrophobicContact CB-CB 3.96Å; A484-I539 HydrophobicContact CB-CD1 4.19Å; A484-I539 HydrophobicContact CB-CG2 3.56Å; A484-V540 HydrophobicContact CB-CG2 3.55Å |
| 485 | Q | 82.2 | Confident | 78.1 | Confident | 92 Ų | 92 | 45.9 Ų | 45.9 | 43% | 0.43 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.7 | -41.6 | 175.4 | -75.1 | 173.3 | -3.9 | 0 | 0 | 112.2 | T481 L482 V483 V488 R489 | T481-Q485 VanDerWaalsContact O-CG 3.31Å; T481-Q485 WeakPolarHBondContact O-CG 3.25Å; T481-Q485 PolarHBondContact O-N 2.97Å; L482-Q485 WeakPolarHBondContact O-CB 3.46Å; L482-Q485 PolarHBondContact O-N 3.4Å; V483-Q485 VanDerWaalsContact C-N 3.34Å; V483-Q485 PolarHBondContact O-N 2.76Å; Q485-V488 PolarHBondContact O-N 3.25Å; Q485-R489 WeakPolarHBondContact O-CG 3.15Å; Q485-R489 PolarHBondContact O-N 3.36Å |
| 486 | I | 83.1 | Confident | 79.6 | Confident | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.4 | -47.1 | 176.1 | -60.9 | 164.5 | 0 | 0 | 0 | 110.1 | V410 F463 L482 V483 A484 V488 R489 I490 F789 | V410-I486 HydrophobicContact CG2-CD1 3.82Å; F463-I486 HydrophobicContact CD1-CG2 4.08Å; F463-I486 HydrophobicContact CD2-CG2 4.22Å; F463-I486 HydrophobicContact CE1-CB 3.93Å; F463-I486 HydrophobicContact CE1-CG2 3.61Å; F463-I486 HydrophobicContact CE2-CB 4.39Å; F463-I486 HydrophobicContact CE2-CD1 4.29Å; F463-I486 HydrophobicContact CE2-CG2 3.79Å; F463-I486 HydrophobicContact CG-CG2 4.35Å; F463-I486 HydrophobicContact CZ-CB 3.69Å; F463-I486 HydrophobicContact CZ-CD1 4.09Å; F463-I486 HydrophobicContact CZ-CG2 3.46Å; F463-I486 VanDerWaalsContact CZ-CG2 3.46Å; L482-I486 WeakPolarHBondContact O-CG1 3.42Å; L482-I486 PolarHBondContact O-N 2.94Å; L482-I486 VanDerWaalsContact O-N 3.09Å; V483-I486 PolarHBondContact O-N 3.48Å; A484-I486 VanDerWaalsContact C-N 3.34Å; A484-I486 PolarHBondContact O-N 3.27Å; I486-V488 VanDerWaalsContact C-N 3.34Å; I486-V488 PolarHBondContact O-N 3.33Å; I486-R489 PolarHBondContact O-N 2.94Å; I486-I490 HydrophobicContact CG2-CD1 4Å; I486-I490 WeakPolarHBondContact O-CG1 3.38Å; I486-I490 PolarHBondContact O-N 2.96Å; I486-F789 HydrophobicContact CG1-CE1 3.95Å; I486-F789 HydrophobicContact CG1-CZ 4.23Å |
| 487 | C | 85.3 | Confident | 80.9 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -53.3 | -51.3 | 174.5 | -72.3 | 0 | 0 | 0 | 0 | 111.3 | F463 F464 V483 A484 R489 I490 L491 V540 | F463-C487 VanDerWaalsContact CE1-SG 3.57Å; F464-C487 HydrophobicContact CE1-CB 4.06Å; F464-C487 HydrophobicContact CZ-CB 4.35Å; V483-C487 PolarHBondContact O-N 3.02Å; V483-C487 PolarHBondContact O-SG 2.68Å; V483-C487 VanDerWaalsContact O-SG 3.42Å; A484-C487 WeakPolarHBondContact O-CB 3.37Å; A484-C487 PolarHBondContact O-N 3.46Å; C487-R489 VanDerWaalsContact C-N 3.29Å; C487-R489 PolarHBondContact O-N 3.16Å; C487-I490 PolarHBondContact O-N 3.48Å; C487-L491 VanDerWaalsContact O-CG 3.3Å; C487-L491 WeakPolarHBondContact O-CG 3.28Å; C487-L491 PolarHBondContact O-N 3.02Å; C487-V540 HydrophobicContact CB-CG1 3.88Å; C487-V540 HydrophobicContact CB-CG2 3.9Å |
| 488 | V | 88.1 | Confident | 81.9 | Confident | 41 Ų | 41 | 30.5 Ų | 30.5 | 25% | 0.248 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.4 | -40.9 | -178 | 166.3 | 0 | 0 | 0 | 0 | 111 | A484 Q485 I486 L491 T492 V540 Q543 | A484-V488 WeakPolarHBondContact O-CB 3.35Å; A484-V488 VanDerWaalsContact O-CG2 3.23Å; A484-V488 WeakPolarHBondContact O-CG2 3.25Å; A484-V488 PolarHBondContact O-N 3.3Å; Q485-V488 PolarHBondContact O-N 3.25Å; I486-V488 VanDerWaalsContact C-N 3.34Å; I486-V488 PolarHBondContact O-N 3.33Å; V488-L491 PolarHBondContact O-N 3.4Å; V488-T492 VanDerWaalsContact O-CB 3.28Å; V488-T492 WeakPolarHBondContact O-CB 3.42Å; V488-T492 PolarHBondContact O-N 3Å; V488-T492 PolarHBondContact O-OG1 3.05Å; V488-V540 HydrophobicContact CG2-CG2 4.46Å; V488-Q543 HydrophobicContact CB-CG 4.33Å; V488-Q543 HydrophobicContact CG1-CG 4.13Å; V488-Q543 HydrophobicContact CG2-CB 4.1Å; V488-Q543 HydrophobicContact CG2-CG 4.13Å |
| 489 | R | 85 | Confident | 82.4 | Confident | 66 Ų | 66 | 22.8 Ų | 22.8 | 25% | 0.249 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.4 | -41.7 | 178 | -77.1 | 175.3 | 163.5 | -128.9 | -13.5 | 113.5 | F417 Q485 I486 C487 L491 T492 L493 E788 F789 | F417-R489 HydrophobicContact CE1-CB 4.18Å; F417-R489 HydrophobicContact CZ-CB 3.95Å; Q485-R489 WeakPolarHBondContact O-CG 3.15Å; Q485-R489 PolarHBondContact O-N 3.36Å; I486-R489 PolarHBondContact O-N 2.94Å; C487-R489 VanDerWaalsContact C-N 3.29Å; C487-R489 PolarHBondContact O-N 3.16Å; R489-L491 VanDerWaalsContact C-N 3.35Å; R489-T492 PolarHBondContact O-N 3.35Å; R489-L493 WeakPolarHBondContact O-CB 3.49Å; R489-L493 PolarHBondContact O-N 3.3Å; R489-E788 PolarHBondContact NH1-O 3.01Å; R489-E788 PolarHBondContact NH2-O 3.18Å; R489-F789 VanDerWaalsContact CZ-CA 3.41Å; R489-F789 PolarHBondContact NH2-O 2.8Å |
| 490 | I | 89.3 | Confident | 82.4 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.2 | -46.4 | 175 | -63.8 | 169.1 | 0 | 0 | 0 | 110.3 | F403 F417 L460 M461 F463 F464 I486 C487 T492 L493 F494 | F403-I490 HydrophobicContact CD1-CD1 4.44Å; F403-I490 HydrophobicContact CE1-CD1 4.13Å; F417-I490 HydrophobicContact CD2-CG1 3.92Å; F417-I490 HydrophobicContact CE2-CB 4.35Å; F417-I490 HydrophobicContact CE2-CG1 3.71Å; L460-I490 HydrophobicContact CB-CG2 3.99Å; L460-I490 HydrophobicContact CD2-CG1 4.28Å; L460-I490 HydrophobicContact CD2-CG2 4.43Å; M461-I490 HydrophobicContact CE-CG2 3.88Å; F463-I490 HydrophobicContact CB-CD1 3.8Å; F463-I490 HydrophobicContact CD1-CD1 3.71Å; F463-I490 HydrophobicContact CG-CD1 3.86Å; F464-I490 HydrophobicContact CE2-CB 4.33Å; F464-I490 HydrophobicContact CE2-CD1 4.44Å; F464-I490 HydrophobicContact CE2-CG2 3.85Å; F464-I490 HydrophobicContact CZ-CB 4.49Å; F464-I490 HydrophobicContact CZ-CG2 4.43Å; I486-I490 HydrophobicContact CG2-CD1 4Å; I486-I490 WeakPolarHBondContact O-CG1 3.38Å; I486-I490 PolarHBondContact O-N 2.96Å; C487-I490 PolarHBondContact O-N 3.48Å; I490-T492 PolarHBondContact O-N 3.02Å; I490-L493 WeakPolarHBondContact O-CB 3.25Å; I490-L493 PolarHBondContact O-N 3.47Å; I490-F494 HydrophobicContact CG2-CE2 4.34Å; I490-F494 HydrophobicContact CG2-CZ 4.31Å; I490-F494 PolarHBondContact O-N 2.86Å; I490-F494 VanDerWaalsContact O-N 3.08Å |
| 491 | L | 90.6 | Very high | 81.6 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.5 | -40.4 | 177.7 | -68.2 | 167.4 | 0 | 0 | 0 | 112 | F464 C487 V488 R489 L493 F494 K495 L518 T521 V540 Q543 V544 T547 | F464-L491 HydrophobicContact CZ-CD2 4.36Å; F464-L491 HydrophobicContact CZ-CG 4.16Å; C487-L491 VanDerWaalsContact O-CG 3.3Å; C487-L491 WeakPolarHBondContact O-CG 3.28Å; C487-L491 PolarHBondContact O-N 3.02Å; V488-L491 PolarHBondContact O-N 3.4Å; R489-L491 VanDerWaalsContact C-N 3.35Å; L491-L493 VanDerWaalsContact C-N 3.32Å; L491-L493 PolarHBondContact O-N 3.3Å; L491-F494 PolarHBondContact O-N 3.26Å; L491-K495 WeakPolarHBondContact O-CB 3.4Å; L491-K495 PolarHBondContact O-N 3.05Å; L491-L518 HydrophobicContact CD2-CD2 3.99Å; L491-T521 HydrophobicContact CD2-CG2 4.34Å; L491-V540 HydrophobicContact CD1-CG1 4Å; L491-Q543 HydrophobicContact CB-CG 3.95Å; L491-Q543 HydrophobicContact CD1-CB 4.38Å; L491-Q543 HydrophobicContact CD1-CG 4.01Å; L491-V544 HydrophobicContact CD1-CB 4.34Å; L491-V544 HydrophobicContact CD1-CG2 3.42Å; L491-V544 VanDerWaalsContact CD1-CG2 3.42Å; L491-V544 HydrophobicContact CD2-CG2 4.5Å; L491-T547 HydrophobicContact CB-CG2 4.26Å; L491-T547 HydrophobicContact CD2-CG2 4.25Å; L491-T547 VanDerWaalsContact O-CG2 3.26Å; L491-T547 WeakPolarHBondContact O-CG2 3.43Å |
| 492 | T | 87.6 | Confident | 80.5 | Confident | 33 Ų | 33 | 21.7 Ų | 21.7 | 20% | 0.202 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.6 | -37.1 | 176.4 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | V488 R489 I490 K495 H496 | V488-T492 VanDerWaalsContact O-CB 3.28Å; V488-T492 WeakPolarHBondContact O-CB 3.42Å; V488-T492 PolarHBondContact O-N 3Å; V488-T492 PolarHBondContact O-OG1 3.05Å; R489-T492 PolarHBondContact O-N 3.35Å; I490-T492 PolarHBondContact O-N 3.02Å; T492-K495 WeakPolarHBondContact O-CB 3.25Å; T492-K495 PolarHBondContact O-N 3.47Å; T492-H496 WeakPolarHBondContact O-CB 3.3Å; T492-H496 PolarHBondContact O-N 3.23Å |
| 493 | L | 86.3 | Confident | 79.4 | Confident | 7 Ų | 7 | 20.3 Ų | 20.3 | 4% | 0.037 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.1 | -43.8 | 173.4 | 178.2 | 59.8 | 0 | 0 | 0 | 111.4 | F417 R421 L424 L425 L460 R489 I490 L491 K495 H496 L497 | F417-L493 HydrophobicContact CE2-CB 4.4Å; F417-L493 HydrophobicContact CE2-CD2 3.82Å; F417-L493 HydrophobicContact CZ-CB 4.15Å; F417-L493 HydrophobicContact CZ-CD2 4.01Å; R421-L493 HydrophobicContact CB-CD1 4.21Å; R421-L493 HydrophobicContact CB-CD2 3.99Å; R421-L493 HydrophobicContact CG-CD1 3.82Å; R421-L493 HydrophobicContact CG-CD2 4.48Å; L424-L493 HydrophobicContact CD1-CD2 4.02Å; L424-L493 HydrophobicContact CD1-CG 4.47Å; L425-L493 HydrophobicContact CD1-CD1 4.05Å; L425-L493 HydrophobicContact CD2-CD1 4.34Å; L425-L493 HydrophobicContact CG-CD1 4.19Å; L460-L493 HydrophobicContact CD1-CD2 3.91Å; R489-L493 WeakPolarHBondContact O-CB 3.49Å; R489-L493 PolarHBondContact O-N 3.3Å; I490-L493 WeakPolarHBondContact O-CB 3.25Å; I490-L493 PolarHBondContact O-N 3.47Å; L491-L493 VanDerWaalsContact C-N 3.32Å; L491-L493 PolarHBondContact O-N 3.3Å; L493-K495 VanDerWaalsContact C-N 3.35Å; L493-H496 PolarHBondContact O-N 2.83Å; L493-L497 WeakPolarHBondContact O-CB 3.28Å; L493-L497 PolarHBondContact O-N 2.68Å |
| 494 | F | 87.8 | Confident | 78.1 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.9 | -40.1 | 175.3 | -71.3 | -9.5 | 0 | 0 | 0 | 112.9 | I457 L460 M461 I490 L491 L497 A498 L514 L518 T547 | I457-F494 HydrophobicContact CB-CZ 4.35Å; I457-F494 HydrophobicContact CG1-CE1 4.08Å; I457-F494 HydrophobicContact CG1-CZ 4.28Å; I457-F494 HydrophobicContact CG2-CZ 3.92Å; L460-F494 HydrophobicContact CB-CE1 4.23Å; L460-F494 HydrophobicContact CB-CZ 4Å; L460-F494 HydrophobicContact CD1-CD1 4.47Å; L460-F494 HydrophobicContact CD1-CE1 3.58Å; L460-F494 HydrophobicContact CD1-CZ 4.21Å; M461-F494 HydrophobicContact CE-CD2 4.2Å; M461-F494 HydrophobicContact CE-CE2 3.08Å; M461-F494 HydrophobicContact CE-CZ 3.39Å; M461-F494 HydrophobicContact SD-CE2 3.9Å; M461-F494 HydrophobicContact SD-CZ 4.39Å; I490-F494 HydrophobicContact CG2-CE2 4.34Å; I490-F494 HydrophobicContact CG2-CZ 4.31Å; I490-F494 PolarHBondContact O-N 2.86Å; I490-F494 VanDerWaalsContact O-N 3.08Å; L491-F494 PolarHBondContact O-N 3.26Å; F494-L497 PolarHBondContact O-N 3Å; F494-A498 WeakPolarHBondContact O-CB 3.42Å; F494-A498 PolarHBondContact O-N 3.49Å; F494-L514 HydrophobicContact CB-CD1 4.29Å; F494-L514 HydrophobicContact CD1-CD1 4.25Å; F494-L514 HydrophobicContact CD2-CD1 3.93Å; F494-L514 HydrophobicContact CE1-CD1 4.5Å; F494-L514 HydrophobicContact CE2-CD1 4.14Å; F494-L514 HydrophobicContact CG-CD1 3.94Å; F494-L514 HydrophobicContact CZ-CD1 4.44Å; F494-L518 HydrophobicContact CD2-CD2 3.92Å; F494-T547 HydrophobicContact CB-CG2 4.26Å |
| 495 | K | 85.4 | Confident | 77.1 | Confident | 6 Ų | 6 | 32.1 Ų | 32.1 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.3 | -47.1 | 172.9 | -164.7 | -177.5 | -169.1 | -173.4 | 0 | 111.3 | L491 T492 L493 L497 A498 C499 T547 V550 P798 | L491-K495 WeakPolarHBondContact O-CB 3.4Å; L491-K495 PolarHBondContact O-N 3.05Å; T492-K495 WeakPolarHBondContact O-CB 3.25Å; T492-K495 PolarHBondContact O-N 3.47Å; L493-K495 VanDerWaalsContact C-N 3.35Å; K495-L497 PolarHBondContact O-N 3.12Å; K495-A498 PolarHBondContact O-N 3.34Å; K495-C499 WeakPolarHBondContact O-CB 3.23Å; K495-C499 PolarHBondContact O-N 2.85Å; K495-C499 PolarHBondContact O-SG 2.98Å; K495-T547 HydrophobicContact CB-CG2 4.15Å; K495-V550 HydrophobicContact CG-CG1 4.13Å; K495-P798 HydrophobicContact CD-CG 4.21Å; K495-P798 WeakPolarHBondContact CE-O 3.2Å; K495-P798 HydrophobicContact CG-CG 4.19Å; K495-P798 PolarHBondContact NZ-O 3.36Å |
| 496 | H | 81.9 | Confident | 76.8 | Confident | 41 Ų | 41 | 28.3 Ų | 28.3 | 19% | 0.19 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.5 | -41.8 | 178 | -174.1 | 88.5 | 0 | 0 | 0 | 111.4 | L425 T492 L493 A498 C499 S500 | L425-H496 VanDerWaalsContact CD2-CD2 3.48Å; L425-H496 WeakPolarHBondContact CD2-CD2 3.36Å; T492-H496 WeakPolarHBondContact O-CB 3.3Å; T492-H496 PolarHBondContact O-N 3.23Å; L493-H496 PolarHBondContact O-N 2.83Å; H496-A498 VanDerWaalsContact C-N 3.26Å; H496-A498 PolarHBondContact O-N 2.71Å; H496-C499 PolarHBondContact O-N 3Å; H496-S500 PolarHBondContact CD2-OG 2.79Å; H496-S500 VanDerWaalsContact CD2-OG 3.25Å; H496-S500 PolarHBondContact CE1-OG 2.98Å; H496-S500 PolarHBondContact NE2-OG 2.77Å; H496-S500 WeakPolarHBondContact O-CB 3.42Å; H496-S500 PolarHBondContact O-N 3.26Å; H496-S500 PolarHBondContact O-OG 3.14Å |
| 497 | L | 82.3 | Confident | 76.6 | Confident | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.4 | -40.5 | 173.5 | -178.5 | 66.1 | 0 | 0 | 0 | 111.6 | L493 F494 K495 I506 | L493-L497 WeakPolarHBondContact O-CB 3.28Å; L493-L497 PolarHBondContact O-N 2.68Å; F494-L497 PolarHBondContact O-N 3Å; K495-L497 PolarHBondContact O-N 3.12Å; L497-I506 HydrophobicContact CD1-CD1 4.3Å; L497-I506 HydrophobicContact CG-CD1 3.98Å |
| 498 | A | 81.2 | Confident | 76.5 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -74.9 | -35 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | F494 K495 H496 T503 W511 T551 | F494-A498 WeakPolarHBondContact O-CB 3.42Å; F494-A498 PolarHBondContact O-N 3.49Å; K495-A498 PolarHBondContact O-N 3.34Å; H496-A498 VanDerWaalsContact C-N 3.26Å; H496-A498 PolarHBondContact O-N 2.71Å; A498-T503 WeakPolarHBondContact O-CG2 3.37Å; A498-W511 HydrophobicContact CB-CH2 3.85Å; A498-W511 HydrophobicContact CB-CZ3 3.89Å; A498-T551 HydrophobicContact CB-CG2 3.8Å |
| 499 | C | 75.1 | Confident | 76.1 | Confident | 9 Ų | 9 | 36.7 Ų | 36.7 | 6% | 0.061 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -93.4 | -19.9 | -174.8 | -64.3 | 0 | 0 | 0 | 0 | 114.3 | K495 H496 F554 P798 R806 | K495-C499 WeakPolarHBondContact O-CB 3.23Å; K495-C499 PolarHBondContact O-N 2.85Å; K495-C499 PolarHBondContact O-SG 2.98Å; H496-C499 PolarHBondContact O-N 3Å; C499-F554 HydrophobicContact CB-CE2 4.35Å; C499-F554 HydrophobicContact CB-CZ 4.43Å; C499-F554 WeakPolarHBondContact SG-CE2 3.42Å; C499-P798 HydrophobicContact CB-CB 3.99Å; C499-P798 HydrophobicContact CB-CG 4.28Å; C499-R806 VanDerWaalsContact C-NH1 3.27Å; C499-R806 WeakPolarHBondContact O-CD 3.47Å; C499-R806 PolarHBondContact O-NH1 3.13Å |
| 500 | S | 67.9 | Low | 76 | Confident | 17 Ų | 17 | 33.6 Ų | 33.6 | 12% | 0.119 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -73.8 | 149.7 | -178.1 | -75.6 | 0 | 0 | 0 | 0 | 111.6 | H496 S502 T503 | H496-S500 PolarHBondContact CD2-OG 2.79Å; H496-S500 VanDerWaalsContact CD2-OG 3.25Å; H496-S500 PolarHBondContact CE1-OG 2.98Å; H496-S500 PolarHBondContact NE2-OG 2.77Å; H496-S500 WeakPolarHBondContact O-CB 3.42Å; H496-S500 PolarHBondContact O-N 3.26Å; H496-S500 PolarHBondContact O-OG 3.14Å; S500-S502 PolarHBondContact O-N 2.89Å; S500-T503 WeakPolarHBondContact O-CG2 3.44Å; S500-T503 PolarHBondContact O-N 3.47Å |
| 501 | G | 57.2 | Low | 75.9 | Confident | 66 Ų | 66 | 33.7 Ų | 33.7 | 68% | 0.68 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 4.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | T503 | G501-T503 PolarHBondContact O-N 3.34Š|
| 502 | S | 52.9 | Low | 75.8 | Confident | 33 Ų | 33 | 35 Ų | 35 | 23% | 0.231 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 6.6 | 167.1 | 54.4 | 0 | 0 | 0 | 0 | 114 | S500 F504 R505 | S500-S502 PolarHBondContact O-N 2.89Å; S502-F504 PolarHBondContact O-N 3.46Å; S502-R505 WeakPolarHBondContact O-CB 3.46Å; S502-R505 PolarHBondContact O-N 2.74Å |
| 503 | T | 53.6 | Low | 75.8 | Confident | 4 Ų | 4 | 34.1 Ų | 34.1 | 3% | 0.025 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -53.6 | -35.2 | -178.9 | 48.2 | 0 | 0 | 0 | 0 | 113.1 | A498 S500 G501 R505 I506 W511 N558 | A498-T503 WeakPolarHBondContact O-CG2 3.37Å; S500-T503 WeakPolarHBondContact O-CG2 3.44Å; S500-T503 PolarHBondContact O-N 3.47Å; G501-T503 PolarHBondContact O-N 3.34Å; T503-R505 PolarHBondContact O-N 3.26Å; T503-I506 PolarHBondContact O-N 3.34Å; T503-I506 VanDerWaalsContact O-N 3.09Å; T503-W511 HydrophobicContact CG2-CZ2 4.33Å; T503-N558 WeakPolarHBondContact CB-OD1 3.48Å |
| 504 | F | 54.3 | Low | 75.9 | Confident | 154 Ų | 154 | 33.8 Ų | 33.8 | 68% | 0.675 | 18% | 0.183 | S | C | * | . | G | 310 helix | trans | -57.3 | -16.7 | 174.4 | -100.8 | -83.9 | 0 | 0 | 0 | 114.3 | S502 | S502-F504 PolarHBondContact O-N 3.46Š|
| 505 | R | 61.8 | Low | 76.1 | Confident | 99 Ų | 99 | 33.8 Ų | 33.8 | 37% | 0.374 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -89.7 | -20.2 | 179.2 | -59.9 | -173.7 | 178.9 | 178.2 | 2 | 114 | Q426 M453 S502 T503 S507 | Q426-R505 PolarHBondContact O-NH1 3.26Å; M453-R505 HydrophobicContact CE-CB 4.12Å; S502-R505 WeakPolarHBondContact O-CB 3.46Å; S502-R505 PolarHBondContact O-N 2.74Å; T503-R505 PolarHBondContact O-N 3.26Å; R505-S507 PolarHBondContact O-N 2.81Å |
| 506 | I | 76.2 | Confident | 76.3 | Confident | 12 Ų | 12 | 36.8 Ų | 36.8 | 6% | 0.062 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -83.8 | 109.9 | -175.3 | -55.5 | 176.8 | 0 | 0 | 0 | 108 | M453 L497 T503 T510 W511 | M453-I506 HydrophobicContact SD-CG1 4.35Å; L497-I506 HydrophobicContact CD1-CD1 4.3Å; L497-I506 HydrophobicContact CG-CD1 3.98Å; T503-I506 PolarHBondContact O-N 3.34Å; T503-I506 VanDerWaalsContact O-N 3.09Å; I506-T510 HydrophobicContact CG2-CG2 3.82Å; I506-W511 HydrophobicContact CB-CD2 4.4Å; I506-W511 HydrophobicContact CB-CZ2 4.27Å; I506-W511 HydrophobicContact CD1-CH2 4.01Å; I506-W511 HydrophobicContact CD1-CZ2 3.74Å; I506-W511 HydrophobicContact CG2-CB 4.48Å; I506-W511 HydrophobicContact CG2-CD2 3.72Å; I506-W511 HydrophobicContact CG2-CE3 4.47Å; I506-W511 HydrophobicContact CG2-CG 3.67Å; I506-W511 HydrophobicContact CG2-CZ2 4.41Å; I506-W511 PolarHBondContact O-NE1 3.27Å |
| 507 | S | 78.9 | Confident | 76.6 | Confident | 35 Ų | 35 | 34.9 Ų | 34.9 | 25% | 0.245 | 19% | 0.187 | C | C | . | . | trans | -63.5 | 155.1 | 175 | 77.1 | 0 | 0 | 0 | 0 | 111 | R505 D509 T510 W511 | R505-S507 PolarHBondContact O-N 2.81Å; S507-D509 PolarHBondContact O-N 3.12Å; S507-T510 WeakPolarHBondContact O-CA 3.34Å; S507-T510 WeakPolarHBondContact O-CB 3.34Å; S507-T510 PolarHBondContact O-N 2.96Å; S507-T510 PolarHBondContact OG-N 3.3Å; S507-T510 PolarHBondContact OG-OG1 3.04Å; S507-T510 VanDerWaalsContact OG-OG1 3.07Å; S507-W511 PolarHBondContact O-N 3.28Å | ||
| 508 | Q | 82.3 | Confident | 77.1 | Confident | 90 Ų | 90 | 35 Ų | 35 | 42% | 0.421 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -50.4 | -43.2 | 175.5 | 176.8 | 179.6 | 14.7 | 0 | 0 | 112.2 | T510 W511 H512 A559 P560 | Q508-T510 VanDerWaalsContact C-N 3.3Å; Q508-T510 PolarHBondContact O-N 3.12Å; Q508-W511 WeakPolarHBondContact O-CB 3.16Å; Q508-W511 PolarHBondContact O-N 3.03Å; Q508-H512 WeakPolarHBondContact CG-CE1 3.41Å; Q508-H512 PolarHBondContact NE2-CE1 3.22Å; Q508-H512 VanDerWaalsContact O-CG 3.32Å; Q508-H512 PolarHBondContact O-N 2.94Å; Q508-H512 PolarHBondContact O-ND1 3.47Å; Q508-H512 VanDerWaalsContact O-ND1 3.08Å; Q508-A559 HydrophobicContact CB-CB 4.31Å; Q508-A559 HydrophobicContact CG-CB 4.24Å; Q508-P560 PolarHBondContact NE2-O 3.5Å |
| 509 | D | 80 | Confident | 77.6 | Confident | 96 Ų | 96 | 35 Ų | 35 | 51% | 0.513 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.9 | -32.2 | 177.9 | -65.4 | -28.7 | 0 | 0 | 0 | 113.4 | S507 F513 | S507-D509 PolarHBondContact O-N 3.12Å; D509-F513 WeakPolarHBondContact O-CB 3.46Å; D509-F513 PolarHBondContact O-N 3.36Å |
| 510 | T | 84 | Confident | 78.2 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -72.6 | -36.4 | 176.7 | -57.7 | 0 | 0 | 0 | 0 | 110.9 | P450 M453 K454 I457 I506 S507 Q508 F513 L514 | P450-T510 PolarHBondContact O-OG1 2.9Å; M453-T510 HydrophobicContact CB-CG2 3.86Å; M453-T510 HydrophobicContact SD-CG2 4.36Å; K454-T510 HydrophobicContact CG-CG2 4.41Å; I457-T510 HydrophobicContact CD1-CG2 4.29Å; I506-T510 HydrophobicContact CG2-CG2 3.82Å; S507-T510 WeakPolarHBondContact O-CA 3.34Å; S507-T510 WeakPolarHBondContact O-CB 3.34Å; S507-T510 PolarHBondContact O-N 2.96Å; S507-T510 PolarHBondContact OG-N 3.3Å; S507-T510 PolarHBondContact OG-OG1 3.04Å; S507-T510 VanDerWaalsContact OG-OG1 3.07Å; Q508-T510 VanDerWaalsContact C-N 3.3Å; Q508-T510 PolarHBondContact O-N 3.12Å; T510-F513 PolarHBondContact O-N 2.99Å; T510-L514 WeakPolarHBondContact O-CB 3.14Å; T510-L514 PolarHBondContact O-N 2.97Å |
| 511 | W | 87.5 | Confident | 79.2 | Confident | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.2 | -51.1 | 170.1 | -80.4 | 117.2 | 0 | 0 | 0 | 111.7 | A498 T503 I506 S507 Q508 F513 L514 L515 T551 F554 A555 N558 A559 | A498-W511 HydrophobicContact CB-CH2 3.85Å; A498-W511 HydrophobicContact CB-CZ3 3.89Å; T503-W511 HydrophobicContact CG2-CZ2 4.33Å; I506-W511 HydrophobicContact CB-CD2 4.4Å; I506-W511 HydrophobicContact CB-CZ2 4.27Å; I506-W511 HydrophobicContact CD1-CH2 4.01Å; I506-W511 HydrophobicContact CD1-CZ2 3.74Å; I506-W511 HydrophobicContact CG2-CB 4.48Å; I506-W511 HydrophobicContact CG2-CD2 3.72Å; I506-W511 HydrophobicContact CG2-CE3 4.47Å; I506-W511 HydrophobicContact CG2-CG 3.67Å; I506-W511 HydrophobicContact CG2-CZ2 4.41Å; I506-W511 PolarHBondContact O-NE1 3.27Å; S507-W511 PolarHBondContact O-N 3.28Å; Q508-W511 WeakPolarHBondContact O-CB 3.16Å; Q508-W511 PolarHBondContact O-N 3.03Å; W511-F513 PolarHBondContact O-N 3.33Å; W511-L514 HydrophobicContact CE3-CD2 4.31Å; W511-L514 HydrophobicContact CZ3-CD2 4.25Å; W511-L514 PolarHBondContact O-N 3.05Å; W511-L515 WeakPolarHBondContact O-CG 3.5Å; W511-L515 PolarHBondContact O-N 3.29Å; W511-T551 HydrophobicContact CZ3-CG2 4.07Å; W511-F554 HydrophobicContact CH2-CB 4.2Å; W511-A555 HydrophobicContact CD2-CB 3.88Å; W511-A555 HydrophobicContact CE3-CB 3.36Å; W511-A555 HydrophobicContact CG-CB 4.41Å; W511-A555 HydrophobicContact CZ3-CB 3.76Å; W511-N558 HydrophobicContact CZ2-CB 4.26Å; W511-A559 HydrophobicContact CB-CB 4.49Å; W511-A559 HydrophobicContact CG-CB 4.3Å |
| 512 | H | 88.6 | Confident | 80.8 | Confident | 28 Ų | 28 | 31.3 Ų | 31.3 | 13% | 0.13 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -56.2 | -42.2 | 176.5 | -62.7 | 140.3 | 0 | 0 | 0 | 112.2 | Q508 K516 P560 P562 L565 | Q508-H512 WeakPolarHBondContact CG-CE1 3.41Å; Q508-H512 PolarHBondContact NE2-CE1 3.22Å; Q508-H512 VanDerWaalsContact O-CG 3.32Å; Q508-H512 PolarHBondContact O-N 2.94Å; Q508-H512 PolarHBondContact O-ND1 3.47Å; Q508-H512 VanDerWaalsContact O-ND1 3.08Å; H512-K516 WeakPolarHBondContact O-CG 3.43Å; H512-K516 PolarHBondContact O-N 3.29Å; H512-K516 VanDerWaalsContact O-N 3.11Å; H512-P560 PolarHBondContact NE2-O 2.96Å; H512-P562 WeakPolarHBondContact NE2-CD 3.29Å; H512-L565 HydrophobicContact CB-CD1 4.11Å; H512-L565 VanDerWaalsContact CD2-CD1 3.42Å; H512-L565 WeakPolarHBondContact CD2-CD1 3.46Å |
| 513 | F | 85.8 | Confident | 82.5 | Confident | 14 Ų | 14 | 32.9 Ų | 32.9 | 6% | 0.061 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.2 | -45 | 178.5 | -171.6 | -103.9 | 0 | 0 | 0 | 112.3 | V287 F289 K454 I457 V458 D509 T510 W511 L515 K516 A517 | V287-F513 HydrophobicContact CG1-CD2 4.13Å; V287-F513 HydrophobicContact CG1-CE2 3.28Å; V287-F513 HydrophobicContact CG1-CZ 3.82Å; F289-F513 HydrophobicContact CB-CE2 3.75Å; F289-F513 HydrophobicContact CB-CZ 4.49Å; F289-F513 HydrophobicContact CG-CE2 4.43Å; K454-F513 HydrophobicContact CB-CD1 4Å; K454-F513 HydrophobicContact CB-CE1 4.25Å; K454-F513 HydrophobicContact CB-CG 4.49Å; K454-F513 HydrophobicContact CD-CB 4.45Å; K454-F513 HydrophobicContact CD-CG 4.39Å; K454-F513 HydrophobicContact CG-CB 4.13Å; K454-F513 HydrophobicContact CG-CD1 3.83Å; K454-F513 HydrophobicContact CG-CG 3.97Å; K454-F513 WeakPolarHBondContact O-CE1 3.37Å; I457-F513 HydrophobicContact CB-CD1 4.17Å; I457-F513 HydrophobicContact CB-CE1 3.86Å; I457-F513 HydrophobicContact CD1-CD1 4.23Å; I457-F513 HydrophobicContact CG2-CD1 3.94Å; I457-F513 HydrophobicContact CG2-CE1 3.6Å; V458-F513 HydrophobicContact CG2-CE1 3.81Å; V458-F513 HydrophobicContact CG2-CZ 3.42Å; V458-F513 VanDerWaalsContact CG2-CZ 3.42Å; D509-F513 WeakPolarHBondContact O-CB 3.46Å; D509-F513 PolarHBondContact O-N 3.36Å; T510-F513 PolarHBondContact O-N 2.99Å; W511-F513 PolarHBondContact O-N 3.33Å; F513-L515 PolarHBondContact O-N 2.94Å; F513-K516 PolarHBondContact O-N 3.04Å; F513-A517 WeakPolarHBondContact O-CB 3.37Å; F513-A517 PolarHBondContact O-N 3.24Å |
| 514 | L | 89.5 | Confident | 84 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.7 | -42.8 | 177.4 | -179.9 | 60.6 | 0 | 0 | 0 | 112.1 | I457 F494 T510 W511 A517 L518 T551 | I457-L514 HydrophobicContact CD1-CB 4.15Å; I457-L514 HydrophobicContact CD1-CD1 4.04Å; I457-L514 HydrophobicContact CG1-CD1 4.39Å; I457-L514 HydrophobicContact CG2-CD1 4.5Å; F494-L514 HydrophobicContact CB-CD1 4.29Å; F494-L514 HydrophobicContact CD1-CD1 4.25Å; F494-L514 HydrophobicContact CD2-CD1 3.93Å; F494-L514 HydrophobicContact CE1-CD1 4.5Å; F494-L514 HydrophobicContact CE2-CD1 4.14Å; F494-L514 HydrophobicContact CG-CD1 3.94Å; F494-L514 HydrophobicContact CZ-CD1 4.44Å; T510-L514 WeakPolarHBondContact O-CB 3.14Å; T510-L514 PolarHBondContact O-N 2.97Å; W511-L514 HydrophobicContact CE3-CD2 4.31Å; W511-L514 HydrophobicContact CZ3-CD2 4.25Å; W511-L514 PolarHBondContact O-N 3.05Å; L514-A517 WeakPolarHBondContact O-CB 3.46Å; L514-A517 PolarHBondContact O-N 3.42Å; L514-L518 HydrophobicContact CG-CD1 4.42Å; L514-L518 WeakPolarHBondContact O-CG 3.35Å; L514-L518 PolarHBondContact O-N 3.41Å; L514-T551 HydrophobicContact CD2-CG2 3.69Å; L514-T551 HydrophobicContact CG-CG2 4.13Å |
| 515 | L | 91.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65 | -41.2 | 177.7 | -63.4 | -179.8 | 0 | 0 | 0 | 111.9 | W511 F513 A517 L518 L519 T551 W552 A555 L561 | W511-L515 WeakPolarHBondContact O-CG 3.5Å; W511-L515 PolarHBondContact O-N 3.29Å; F513-L515 PolarHBondContact O-N 2.94Å; L515-A517 VanDerWaalsContact C-N 3.34Å; L515-L518 PolarHBondContact O-N 2.95Å; L515-L519 WeakPolarHBondContact O-CG 3.43Å; L515-L519 PolarHBondContact O-N 3.18Å; L515-T551 HydrophobicContact CD2-CG2 4.08Å; L515-W552 HydrophobicContact CB-CE3 4.46Å; L515-W552 HydrophobicContact CB-CH2 4.01Å; L515-W552 HydrophobicContact CB-CZ2 4.39Å; L515-W552 HydrophobicContact CB-CZ3 4.04Å; L515-W552 HydrophobicContact CD1-CD2 4.24Å; L515-W552 HydrophobicContact CD1-CZ2 4.17Å; L515-W552 HydrophobicContact CD2-CB 4.46Å; L515-W552 HydrophobicContact CD2-CD2 3.85Å; L515-W552 HydrophobicContact CD2-CE3 3.7Å; L515-W552 HydrophobicContact CD2-CG 4.22Å; L515-W552 HydrophobicContact CD2-CZ3 4.13Å; L515-W552 HydrophobicContact CG-CE3 4.47Å; L515-A555 HydrophobicContact CD1-CB 3.91Å; L515-A555 HydrophobicContact CD2-CB 4.1Å; L515-A555 HydrophobicContact CG-CB 4.26Å; L515-L561 HydrophobicContact CD1-CD1 3.82Å; L515-L561 HydrophobicContact CD1-CD2 3.76Å; L515-L561 HydrophobicContact CD1-CG 4.46Å |
| 516 | K | 89.9 | Confident | 86.9 | Confident | 68 Ų | 68 | 27.9 Ų | 27.9 | 30% | 0.296 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -62.3 | -41 | 173.5 | -73.2 | -177.6 | 178 | -167.6 | 0 | 112.1 | H512 F513 L519 H520 L565 | H512-K516 WeakPolarHBondContact O-CG 3.43Å; H512-K516 PolarHBondContact O-N 3.29Å; H512-K516 VanDerWaalsContact O-N 3.11Å; F513-K516 PolarHBondContact O-N 3.04Å; K516-L519 PolarHBondContact O-N 2.98Å; K516-H520 PolarHBondContact O-N 3.1Å; K516-L565 HydrophobicContact CG-CD2 3.78Å |
| 517 | A | 88 | Confident | 87.4 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 2% | 0.017 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.3 | -44 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I457 M461 F513 L514 L515 H520 T521 | I457-A517 HydrophobicContact CG2-CB 3.8Å; M461-A517 HydrophobicContact CG-CB 3.8Å; M461-A517 HydrophobicContact SD-CB 4.02Å; F513-A517 WeakPolarHBondContact O-CB 3.37Å; F513-A517 PolarHBondContact O-N 3.24Å; L514-A517 WeakPolarHBondContact O-CB 3.46Å; L514-A517 PolarHBondContact O-N 3.42Å; L515-A517 VanDerWaalsContact C-N 3.34Å; A517-H520 WeakPolarHBondContact O-CB 3.08Å; A517-H520 PolarHBondContact O-N 2.74Å; A517-T521 PolarHBondContact O-N 3.18Å; A517-T521 PolarHBondContact O-OG1 3.41Å; A517-T521 VanDerWaalsContact O-OG1 3.05Å |
| 518 | L | 92.4 | Very high | 87.6 | Confident | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.4 | -39.8 | 176.5 | -70.8 | 171.6 | 0 | 0 | 0 | 112.5 | L491 F494 L514 L515 H520 T521 V522 T547 L548 T551 | L491-L518 HydrophobicContact CD2-CD2 3.99Å; F494-L518 HydrophobicContact CD2-CD2 3.92Å; L514-L518 HydrophobicContact CG-CD1 4.42Å; L514-L518 WeakPolarHBondContact O-CG 3.35Å; L514-L518 PolarHBondContact O-N 3.41Å; L515-L518 PolarHBondContact O-N 2.95Å; L518-H520 VanDerWaalsContact C-N 3.31Å; L518-H520 PolarHBondContact O-N 2.91Å; L518-T521 WeakPolarHBondContact O-CB 3.46Å; L518-T521 PolarHBondContact O-N 3.04Å; L518-V522 WeakPolarHBondContact O-CG2 3.43Å; L518-V522 PolarHBondContact O-N 2.86Å; L518-T547 HydrophobicContact CD2-CG2 3.95Å; L518-L548 HydrophobicContact CB-CD1 3.73Å; L518-T551 HydrophobicContact CD1-CG2 3.73Å |
| 519 | L | 91.6 | Very high | 87.6 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.9 | -41.2 | 172.5 | -72.3 | 178.8 | 0 | 0 | 0 | 111.9 | L515 K516 V522 H523 L548 W552 N568 T572 | L515-L519 WeakPolarHBondContact O-CG 3.43Å; L515-L519 PolarHBondContact O-N 3.18Å; K516-L519 PolarHBondContact O-N 2.98Å; L519-V522 WeakPolarHBondContact O-CB 3.43Å; L519-V522 PolarHBondContact O-N 3.43Å; L519-H523 PolarHBondContact O-N 3.03Å; L519-H523 PolarHBondContact O-ND1 3.22Å; L519-L548 HydrophobicContact CD2-CD1 4.15Å; L519-W552 HydrophobicContact CD1-CH2 3.76Å; L519-W552 HydrophobicContact CD1-CZ3 4.36Å; L519-W552 HydrophobicContact CD2-CH2 3.92Å; L519-W552 HydrophobicContact CD2-CZ3 3.85Å; L519-W552 HydrophobicContact CG-CH2 3.77Å; L519-W552 HydrophobicContact CG-CZ3 3.85Å; L519-N568 HydrophobicContact CD1-CB 3.69Å; L519-T572 HydrophobicContact CD2-CG2 4.1Å |
| 520 | H | 88.4 | Confident | 87.7 | Confident | 13 Ų | 13 | 27.3 Ų | 27.3 | 6% | 0.06 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.7 | -43.8 | 175.2 | -176.9 | 72 | 0 | 0 | 0 | 111.5 | F289 P291 D465 K516 A517 L518 V522 H523 R524 | F289-H520 HydrophobicContact CE1-CB 4.17Å; F289-H520 AromaticContact CE1-CD2 3.99Å; F289-H520 AromaticContact CE1-CG 3.8Å; P291-H520 HydrophobicContact CB-CB 3.95Å; D465-H520 IonicContact OD1-CD2 3.54Å; D465-H520 IonicContact OD1-CE1 2.64Å; D465-H520 IonicContact OD1-NE2 2.81Å; D465-H520 PolarHBondContact OD1-NE2 3.1Å; D465-H520 IonicContact OD2-NE2 3.83Å; D465-H520 PolarHBondContact OD2-NE2 2.82Å; K516-H520 PolarHBondContact O-N 3.1Å; A517-H520 WeakPolarHBondContact O-CB 3.08Å; A517-H520 PolarHBondContact O-N 2.74Å; L518-H520 VanDerWaalsContact C-N 3.31Å; L518-H520 PolarHBondContact O-N 2.91Å; H520-V522 VanDerWaalsContact C-N 3.31Å; H520-V522 PolarHBondContact O-N 3.04Å; H520-H523 PolarHBondContact O-N 3.17Å; H520-H523 VanDerWaalsContact O-N 3.12Å; H520-R524 PolarHBondContact O-N 2.98Å |
| 521 | T | 89.1 | Confident | 87.5 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.3 | -43.7 | 174.5 | -54.9 | 0 | 0 | 0 | 0 | 111.9 | M461 F464 L491 A517 L518 H523 R524 V525 V544 | M461-T521 PolarHBondContact SD-OG1 3.35Å; M461-T521 VanDerWaalsContact SD-OG1 3.33Å; F464-T521 HydrophobicContact CD1-CG2 3.54Å; F464-T521 HydrophobicContact CD2-CG2 4.14Å; F464-T521 HydrophobicContact CE1-CG2 3.48Å; F464-T521 VanDerWaalsContact CE1-CG2 3.48Å; F464-T521 HydrophobicContact CE2-CG2 4.12Å; F464-T521 HydrophobicContact CG-CG2 3.85Å; F464-T521 HydrophobicContact CZ-CG2 3.79Å; L491-T521 HydrophobicContact CD2-CG2 4.34Å; A517-T521 PolarHBondContact O-N 3.18Å; A517-T521 PolarHBondContact O-OG1 3.41Å; A517-T521 VanDerWaalsContact O-OG1 3.05Å; L518-T521 WeakPolarHBondContact O-CB 3.46Å; L518-T521 PolarHBondContact O-N 3.04Å; T521-H523 VanDerWaalsContact C-N 3.35Å; T521-H523 PolarHBondContact O-N 3.17Å; T521-R524 PolarHBondContact O-N 3.49Å; T521-V525 HydrophobicContact CG2-CG2 4.14Å; T521-V525 WeakPolarHBondContact O-CB 3.31Å; T521-V525 WeakPolarHBondContact O-CG2 3.47Å; T521-V525 PolarHBondContact O-N 3.21Å; T521-V544 HydrophobicContact CG2-CG2 4.41Å |
| 522 | V | 90.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.3 | -45.8 | 175.6 | 175.8 | 0 | 0 | 0 | 0 | 110.5 | L518 L519 H520 R524 L526 V544 Y545 L548 T572 | L518-V522 WeakPolarHBondContact O-CG2 3.43Å; L518-V522 PolarHBondContact O-N 2.86Å; L519-V522 WeakPolarHBondContact O-CB 3.43Å; L519-V522 PolarHBondContact O-N 3.43Å; H520-V522 VanDerWaalsContact C-N 3.31Å; H520-V522 PolarHBondContact O-N 3.04Å; V522-R524 VanDerWaalsContact C-N 3.35Å; V522-R524 PolarHBondContact O-N 2.88Å; V522-L526 HydrophobicContact CG1-CB 4.45Å; V522-L526 HydrophobicContact CG1-CD1 4.5Å; V522-L526 CarbonylContact O-C 3.46Å; V522-L526 WeakPolarHBondContact O-CA 3.26Å; V522-L526 WeakPolarHBondContact O-CB 3.48Å; V522-L526 PolarHBondContact O-N 3.45Å; V522-L526 VanDerWaalsContact O-O 3.06Å; V522-V544 HydrophobicContact CB-CG1 4.43Å; V522-V544 HydrophobicContact CG2-CG1 3.5Å; V522-Y545 HydrophobicContact CG1-CE1 4.27Å; V522-L548 HydrophobicContact CG2-CD1 4.46Å; V522-L548 HydrophobicContact CG2-CD2 4.02Å; V522-T572 HydrophobicContact CB-CG2 4.2Å; V522-T572 HydrophobicContact CG1-CG2 3.58Å |
| 523 | H | 88 | Confident | 87 | Confident | 67 Ų | 67 | 37.6 Ų | 37.6 | 31% | 0.31 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.4 | -35 | 180 | -76.2 | 79.8 | 0 | 0 | 0 | 113.6 | L519 H520 T521 T572 R576 | L519-H523 PolarHBondContact O-N 3.03Å; L519-H523 PolarHBondContact O-ND1 3.22Å; H520-H523 PolarHBondContact O-N 3.17Å; H520-H523 VanDerWaalsContact O-N 3.12Å; T521-H523 VanDerWaalsContact C-N 3.35Å; T521-H523 PolarHBondContact O-N 3.17Å; H523-T572 PolarHBondContact CE1-OG1 3.32Å; H523-R576 PolarHBondContact CD2-NH2 2.77Å |
| 524 | R | 85.5 | Confident | 86.8 | Confident | 145 Ų | 145 | 38.5 Ų | 38.5 | 55% | 0.547 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -77.9 | -41 | 179.7 | -74.3 | -64.1 | -163.9 | -158.3 | -5.2 | 113.6 | D465 H520 T521 V522 | D465-R524 IonicContact OD1-CZ 2.68Å; D465-R524 IonicContact OD1-NE 3.22Å; D465-R524 PolarHBondContact OD1-NE 3.44Å; D465-R524 IonicContact OD1-NH2 2.86Å; H520-R524 PolarHBondContact O-N 2.98Å; T521-R524 PolarHBondContact O-N 3.49Å; V522-R524 VanDerWaalsContact C-N 3.35Å; V522-R524 PolarHBondContact O-N 2.88Å |
| 525 | V | 86.8 | Confident | 86.2 | Confident | 6 Ų | 6 | 41.9 Ų | 41.9 | 4% | 0.036 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -94.2 | -32.7 | -171.6 | -179.2 | 0 | 0 | 0 | 0 | 112.3 | F464 L469 T521 S537 | F464-V525 HydrophobicContact CD1-CG2 3.56Å; F464-V525 HydrophobicContact CE1-CG2 4.06Å; L469-V525 HydrophobicContact CD2-CG2 4.46Å; T521-V525 HydrophobicContact CG2-CG2 4.14Å; T521-V525 WeakPolarHBondContact O-CB 3.31Å; T521-V525 WeakPolarHBondContact O-CG2 3.47Å; T521-V525 PolarHBondContact O-N 3.21Å; V525-S537 WeakPolarHBondContact O-CB 3.43Å; V525-S537 PolarHBondContact O-OG 2.83Å |
| 526 | L | 89.7 | Confident | 85.7 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -117.1 | 102.5 | -170.9 | -57.6 | 177.9 | 0 | 0 | 0 | 110.7 | V522 A541 V544 Y545 R576 W579 | V522-L526 HydrophobicContact CG1-CB 4.45Å; V522-L526 HydrophobicContact CG1-CD1 4.5Å; V522-L526 CarbonylContact O-C 3.46Å; V522-L526 WeakPolarHBondContact O-CA 3.26Å; V522-L526 WeakPolarHBondContact O-CB 3.48Å; V522-L526 PolarHBondContact O-N 3.45Å; V522-L526 VanDerWaalsContact O-O 3.06Å; L526-A541 HydrophobicContact CD1-CB 4.46Å; L526-A541 HydrophobicContact CD2-CB 3.83Å; L526-V544 HydrophobicContact CD1-CB 4Å; L526-V544 HydrophobicContact CD1-CG1 3.69Å; L526-Y545 HydrophobicContact CD1-CD1 4.48Å; L526-Y545 HydrophobicContact CD1-CD2 4.21Å; L526-Y545 HydrophobicContact CD1-CE1 3.95Å; L526-Y545 HydrophobicContact CD1-CE2 3.63Å; L526-Y545 VanDerWaalsContact CD1-CZ 3.5Å; L526-R576 PolarHBondContact O-NE 3.26Å; L526-R576 PolarHBondContact O-NH2 2.91Å; L526-W579 HydrophobicContact CD2-CH2 4.08Å; L526-W579 HydrophobicContact CD2-CZ2 4.35Å; L526-W579 HydrophobicContact CD2-CZ3 4.31Å |
| 527 | P | 86.5 | Confident | 85.5 | Confident | 26 Ų | 26 | 39 Ų | 39 | 17% | 0.169 | 22% | 0.224 | C | C | . | . | trans | -63.1 | 158.5 | 174.8 | 26.4 | -33.3 | 0 | 0 | 0 | 111.2 | L529 D532 C533 W579 | P527-L529 VanDerWaalsContact C-N 3.33Å; P527-L529 PolarHBondContact O-N 3.49Å; P527-D532 HydrophobicContact CB-CB 3.99Å; P527-D532 HydrophobicContact CG-CB 4.06Å; P527-C533 HydrophobicContact CG-CB 4.47Å; P527-W579 HydrophobicContact CG-CZ2 4.15Å; P527-W579 PolarHBondContact O-NE1 3.41Å | ||
| 528 | P | 85.2 | Confident | 85.2 | Confident | 65 Ų | 65 | 42.8 Ų | 42.8 | 42% | 0.422 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -58.9 | -44.1 | -179.8 | 22.3 | -31.5 | 0 | 0 | 0 | 112.2 | ||
| 529 | L | 82.1 | Confident | 84.8 | Confident | 92 Ų | 92 | 46.7 Ų | 46.7 | 48% | 0.482 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -97 | 130 | 176.7 | -76 | 142.5 | 0 | 0 | 0 | 110.5 | P527 A531 D532 | P527-L529 VanDerWaalsContact C-N 3.33Å; P527-L529 PolarHBondContact O-N 3.49Å; L529-A531 PolarHBondContact O-N 3.08Å; L529-D532 PolarHBondContact O-N 2.94Å; L529-D532 VanDerWaalsContact O-N 3.16Å |
| 530 | P | 81.8 | Confident | 84.7 | Confident | 39 Ų | 39 | 46.6 Ų | 46.6 | 25% | 0.253 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -59.9 | -26.1 | 176.6 | -20.7 | 28.7 | 0 | 0 | 0 | 113.8 | D532 C533 D578 W579 | P530-D532 PolarHBondContact O-N 3.47Å; P530-C533 WeakPolarHBondContact O-CB 3.43Å; P530-C533 PolarHBondContact O-N 3.37Å; P530-C533 VanDerWaalsContact O-N 3.14Å; P530-C533 PolarHBondContact O-SG 2.91Å; P530-D578 HydrophobicContact CG-CB 3.81Å; P530-D578 VanDerWaalsContact CG-O 3.29Å; P530-D578 WeakPolarHBondContact CG-O 3.37Å; P530-W579 HydrophobicContact CB-CD2 4.29Å; P530-W579 HydrophobicContact CB-CZ2 4.31Å; P530-W579 HydrophobicContact CG-CD2 4.14Å; P530-W579 HydrophobicContact CG-CG 4.07Å |
| 531 | A | 80.3 | Confident | 84.8 | Confident | 93 Ų | 93 | 46 Ų | 46 | 77% | 0.769 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -61.7 | -26.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L529 C533 | L529-A531 PolarHBondContact O-N 3.08Å; A531-C533 VanDerWaalsContact C-N 3.27Å; A531-C533 PolarHBondContact O-N 3.39Å |
| 532 | D | 81.4 | Confident | 84.9 | Confident | 107 Ų | 107 | 48.2 Ų | 48.2 | 57% | 0.572 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -89.9 | 10.8 | -179.5 | -57.8 | -32.9 | 0 | 0 | 0 | 112.4 | P527 L529 P530 | P527-D532 HydrophobicContact CB-CB 3.99Å; P527-D532 HydrophobicContact CG-CB 4.06Å; L529-D532 PolarHBondContact O-N 2.94Å; L529-D532 VanDerWaalsContact O-N 3.16Å; P530-D532 PolarHBondContact O-N 3.47Å |
| 533 | C | 82.6 | Confident | 85 | Confident | 46 Ų | 46 | 49.7 Ų | 49.7 | 31% | 0.311 | 29% | 0.286 | S | S | . | . | trans | -71.4 | 151.1 | -172.6 | 71.1 | 0 | 0 | 0 | 0 | 113.9 | P527 P530 A531 T538 W579 | P527-C533 HydrophobicContact CG-CB 4.47Å; P530-C533 WeakPolarHBondContact O-CB 3.43Å; P530-C533 PolarHBondContact O-N 3.37Å; P530-C533 VanDerWaalsContact O-N 3.14Å; P530-C533 PolarHBondContact O-SG 2.91Å; A531-C533 VanDerWaalsContact C-N 3.27Å; A531-C533 PolarHBondContact O-N 3.39Å; C533-T538 HydrophobicContact CB-CG2 4.25Å; C533-T538 WeakPolarHBondContact SG-CG2 3.4Å; C533-W579 HydrophobicContact CB-CH2 3.55Å; C533-W579 HydrophobicContact CB-CZ2 3.98Å | ||
| 534 | T | 81.1 | Confident | 85.3 | Confident | 33 Ų | 33 | 46.6 Ų | 46.6 | 20% | 0.202 | 27% | 0.272 | C | S | . | . | trans | -91 | 161.1 | 167.6 | 70.8 | 0 | 0 | 0 | 0 | 110.4 | V536 S537 T538 | T534-V536 PolarHBondContact O-N 3.36Å; T534-V536 VanDerWaalsContact O-N 3.14Å; T534-V536 PolarHBondContact OG1-N 3.28Å; T534-S537 PolarHBondContact N-OG 2.65Å; T534-S537 VanDerWaalsContact O-CB 3.28Å; T534-S537 WeakPolarHBondContact O-CB 3.47Å; T534-S537 PolarHBondContact O-N 2.82Å; T534-S537 PolarHBondContact OG1-N 2.99Å; T534-S537 VanDerWaalsContact OG1-N 3.13Å; T534-S537 PolarHBondContact OG1-OG 3.46Å; T534-T538 PolarHBondContact O-N 3.05Å | ||
| 535 | P | 78.1 | Confident | 85.7 | Confident | 72 Ų | 72 | 39.8 Ų | 39.8 | 47% | 0.468 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -55.3 | -29.3 | 172.6 | -26.1 | 34.6 | 0 | 0 | 0 | 113.7 | A480 T538 I539 | A480-P535 HydrophobicContact CB-CB 4.35Å; P535-T538 PolarHBondContact O-OG1 2.96Å; P535-I539 WeakPolarHBondContact O-CD1 3.08Å; P535-I539 WeakPolarHBondContact O-CG1 3.36Å |
| 536 | V | 82.1 | Confident | 85.9 | Confident | 7 Ų | 7 | 40.7 Ų | 40.7 | 4% | 0.042 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -73.5 | -40.6 | 175.1 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | L469 A480 V483 A484 T534 T538 I539 V540 | L469-V536 HydrophobicContact CD2-CG1 4.01Å; A480-V536 HydrophobicContact CB-CG2 3.84Å; V483-V536 HydrophobicContact CB-CG2 4.31Å; V483-V536 HydrophobicContact CG1-CG1 3.96Å; V483-V536 HydrophobicContact CG1-CG2 4.16Å; A484-V536 HydrophobicContact CB-CG1 4.42Å; T534-V536 PolarHBondContact O-N 3.36Å; T534-V536 VanDerWaalsContact O-N 3.14Å; T534-V536 PolarHBondContact OG1-N 3.28Å; V536-T538 VanDerWaalsContact C-N 3.29Å; V536-T538 PolarHBondContact O-N 3.22Å; V536-I539 PolarHBondContact O-N 3.09Å; V536-V540 HydrophobicContact CG1-CG2 4.02Å; V536-V540 WeakPolarHBondContact O-CB 3.28Å; V536-V540 WeakPolarHBondContact O-CG2 3.46Å; V536-V540 PolarHBondContact O-N 2.88Å |
| 537 | S | 84.3 | Confident | 86.1 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.014 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -56.3 | -43 | 179 | -54.8 | 0 | 0 | 0 | 0 | 111.6 | V525 T534 V540 A541 | V525-S537 WeakPolarHBondContact O-CB 3.43Å; V525-S537 PolarHBondContact O-OG 2.83Å; T534-S537 PolarHBondContact N-OG 2.65Å; T534-S537 VanDerWaalsContact O-CB 3.28Å; T534-S537 WeakPolarHBondContact O-CB 3.47Å; T534-S537 PolarHBondContact O-N 2.82Å; T534-S537 PolarHBondContact OG1-N 2.99Å; T534-S537 VanDerWaalsContact OG1-N 3.13Å; T534-S537 PolarHBondContact OG1-OG 3.46Å; S537-V540 PolarHBondContact O-N 2.68Å; S537-A541 VanDerWaalsContact O-CB 3.25Å; S537-A541 WeakPolarHBondContact O-CB 3.3Å; S537-A541 PolarHBondContact O-N 2.81Å |
| 538 | T | 82.7 | Confident | 86.5 | Confident | 80 Ų | 80 | 39.5 Ų | 39.5 | 49% | 0.491 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.6 | -40 | -179.6 | 56.9 | 0 | 0 | 0 | 0 | 112.6 | C533 T534 P535 V536 | C533-T538 HydrophobicContact CB-CG2 4.25Å; C533-T538 WeakPolarHBondContact SG-CG2 3.4Å; T534-T538 PolarHBondContact O-N 3.05Å; P535-T538 PolarHBondContact O-OG1 2.96Å; V536-T538 VanDerWaalsContact C-N 3.29Å; V536-T538 PolarHBondContact O-N 3.22Å |
| 539 | I | 84.2 | Confident | 86.9 | Confident | 86 Ų | 86 | 36.4 Ų | 36.4 | 44% | 0.441 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67.9 | -38.7 | 178.6 | -59.9 | 166.6 | 0 | 0 | 0 | 111.1 | A484 P535 V536 | A484-I539 HydrophobicContact CB-CB 3.96Å; A484-I539 HydrophobicContact CB-CD1 4.19Å; A484-I539 HydrophobicContact CB-CG2 3.56Å; P535-I539 WeakPolarHBondContact O-CD1 3.08Å; P535-I539 WeakPolarHBondContact O-CG1 3.36Å; V536-I539 PolarHBondContact O-N 3.09Å |
| 540 | V | 88.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -95.6 | -17.1 | -168.4 | 176.6 | 0 | 0 | 0 | 0 | 113.1 | A484 C487 V488 L491 V536 S537 S542 Q543 V544 | A484-V540 HydrophobicContact CB-CG2 3.55Å; C487-V540 HydrophobicContact CB-CG1 3.88Å; C487-V540 HydrophobicContact CB-CG2 3.9Å; V488-V540 HydrophobicContact CG2-CG2 4.46Å; L491-V540 HydrophobicContact CD1-CG1 4Å; V536-V540 HydrophobicContact CG1-CG2 4.02Å; V536-V540 WeakPolarHBondContact O-CB 3.28Å; V536-V540 WeakPolarHBondContact O-CG2 3.46Å; V536-V540 PolarHBondContact O-N 2.88Å; S537-V540 PolarHBondContact O-N 2.68Å; V540-S542 VanDerWaalsContact C-N 3.35Å; V540-S542 PolarHBondContact O-N 3.3Å; V540-Q543 PolarHBondContact O-N 3.5Å; V540-V544 HydrophobicContact CG1-CG2 3.53Å; V540-V544 PolarHBondContact O-N 2.71Å |
| 541 | A | 91.1 | Very high | 87.8 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -49.6 | -49 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L526 S537 Q543 V544 Y545 W579 A581 | L526-A541 HydrophobicContact CD1-CB 4.46Å; L526-A541 HydrophobicContact CD2-CB 3.83Å; S537-A541 VanDerWaalsContact O-CB 3.25Å; S537-A541 WeakPolarHBondContact O-CB 3.3Å; S537-A541 PolarHBondContact O-N 2.81Å; A541-Q543 PolarHBondContact O-N 3.23Å; A541-V544 PolarHBondContact O-N 2.89Å; A541-Y545 HydrophobicContact CB-CE2 4.45Å; A541-Y545 WeakPolarHBondContact O-CD2 3.43Å; A541-Y545 PolarHBondContact O-N 2.85Å; A541-W579 HydrophobicContact CB-CE3 3.95Å; A541-W579 HydrophobicContact CB-CZ3 3.81Å; A541-A581 HydrophobicContact CB-CB 3.95Å |
| 542 | S | 91.1 | Very high | 88.3 | Confident | 45 Ų | 45 | 25.9 Ų | 25.9 | 32% | 0.315 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -60 | -45 | 179.3 | -155.9 | 0 | 0 | 0 | 0 | 111.5 | V540 V544 Q546 E585 | V540-S542 VanDerWaalsContact C-N 3.35Å; V540-S542 PolarHBondContact O-N 3.3Å; S542-V544 PolarHBondContact O-N 3.1Å; S542-Q546 WeakPolarHBondContact O-CB 3.02Å; S542-Q546 PolarHBondContact O-N 3.43Å; S542-E585 WeakPolarHBondContact O-CG 3.42Å; S542-E585 PolarHBondContact OG-OE1 3.49Å |
| 543 | Q | 91.9 | Very high | 88.7 | Confident | 31 Ų | 31 | 20.8 Ų | 20.8 | 15% | 0.145 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.3 | -37.1 | -179.1 | -172.7 | 61.5 | 47.2 | 0 | 0 | 112.1 | V488 L491 V540 A541 T547 | V488-Q543 HydrophobicContact CB-CG 4.33Å; V488-Q543 HydrophobicContact CG1-CG 4.13Å; V488-Q543 HydrophobicContact CG2-CB 4.1Å; V488-Q543 HydrophobicContact CG2-CG 4.13Å; L491-Q543 HydrophobicContact CB-CG 3.95Å; L491-Q543 HydrophobicContact CD1-CB 4.38Å; L491-Q543 HydrophobicContact CD1-CG 4.01Å; V540-Q543 PolarHBondContact O-N 3.5Å; A541-Q543 PolarHBondContact O-N 3.23Å; Q543-T547 PolarHBondContact NE2-OG1 3.09Å; Q543-T547 VanDerWaalsContact O-CB 3.27Å; Q543-T547 WeakPolarHBondContact O-CB 3.34Å; Q543-T547 PolarHBondContact O-N 3.26Å; Q543-T547 PolarHBondContact O-OG1 3.09Å |
| 544 | V | 93.4 | Very high | 89 | Confident | 3 Ų | 3 | 18.7 Ų | 18.7 | 2% | 0.018 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.5 | -54.4 | 177.4 | 168.1 | 0 | 0 | 0 | 0 | 110.6 | L491 T521 V522 L526 V540 A541 S542 Q546 T547 L548 | L491-V544 HydrophobicContact CD1-CB 4.34Å; L491-V544 HydrophobicContact CD1-CG2 3.42Å; L491-V544 VanDerWaalsContact CD1-CG2 3.42Å; L491-V544 HydrophobicContact CD2-CG2 4.5Å; T521-V544 HydrophobicContact CG2-CG2 4.41Å; V522-V544 HydrophobicContact CB-CG1 4.43Å; V522-V544 HydrophobicContact CG2-CG1 3.5Å; L526-V544 HydrophobicContact CD1-CB 4Å; L526-V544 HydrophobicContact CD1-CG1 3.69Å; V540-V544 HydrophobicContact CG1-CG2 3.53Å; V540-V544 PolarHBondContact O-N 2.71Å; A541-V544 PolarHBondContact O-N 2.89Å; S542-V544 PolarHBondContact O-N 3.1Å; V544-Q546 VanDerWaalsContact C-N 3.34Å; V544-Q546 PolarHBondContact O-N 3.43Å; V544-T547 PolarHBondContact O-N 3.11Å; V544-L548 VanDerWaalsContact O-CB 3.31Å; V544-L548 WeakPolarHBondContact O-CB 3.43Å; V544-L548 PolarHBondContact O-N 3.29Å |
| 545 | Y | 94.1 | Very high | 89.3 | Confident | 1 Ų | 1 | 17.1 Ų | 17.1 | 0% | 0.004 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.5 | -39.6 | -179.1 | -68.9 | -53.1 | 0 | 0 | 0 | 112.2 | V522 L526 A541 L548 L549 R576 W579 A581 L582 | V522-Y545 HydrophobicContact CG1-CE1 4.27Å; L526-Y545 HydrophobicContact CD1-CD1 4.48Å; L526-Y545 HydrophobicContact CD1-CD2 4.21Å; L526-Y545 HydrophobicContact CD1-CE1 3.95Å; L526-Y545 HydrophobicContact CD1-CE2 3.63Å; L526-Y545 VanDerWaalsContact CD1-CZ 3.5Å; A541-Y545 HydrophobicContact CB-CE2 4.45Å; A541-Y545 WeakPolarHBondContact O-CD2 3.43Å; A541-Y545 PolarHBondContact O-N 2.85Å; Y545-L548 PolarHBondContact O-N 3.37Å; Y545-L549 WeakPolarHBondContact O-CB 3.28Å; Y545-L549 WeakPolarHBondContact O-CG 3.41Å; Y545-L549 PolarHBondContact O-N 2.93Å; Y545-R576 WeakPolarHBondContact OH-CD 3.46Å; Y545-W579 HydrophobicContact CE2-CB 3.98Å; Y545-W579 HydrophobicContact CE2-CG 4.29Å; Y545-A581 HydrophobicContact CD2-CB 4.27Å; Y545-L582 HydrophobicContact CD1-CB 4.16Å; Y545-L582 HydrophobicContact CD1-CD1 3.52Å; Y545-L582 HydrophobicContact CD1-CG 4.33Å; Y545-L582 HydrophobicContact CD2-CB 3.73Å; Y545-L582 HydrophobicContact CE1-CB 4.07Å; Y545-L582 HydrophobicContact CE1-CD1 3.85Å; Y545-L582 HydrophobicContact CE1-CD2 4.32Å; Y545-L582 HydrophobicContact CE1-CG 4.29Å; Y545-L582 HydrophobicContact CE2-CB 3.63Å; Y545-L582 HydrophobicContact CG-CB 3.99Å; Y545-L582 HydrophobicContact CG-CD1 3.88Å |
| 546 | Q | 92 | Very high | 89.6 | Confident | 26 Ų | 26 | 14.6 Ų | 14.6 | 12% | 0.121 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.6 | -48.5 | 175.2 | -172.1 | -179.3 | 81.7 | 0 | 0 | 111.8 | S542 V544 V550 E585 | S542-Q546 WeakPolarHBondContact O-CB 3.02Å; S542-Q546 PolarHBondContact O-N 3.43Å; V544-Q546 VanDerWaalsContact C-N 3.34Å; V544-Q546 PolarHBondContact O-N 3.43Å; Q546-V550 HydrophobicContact CG-CG2 4.14Å; Q546-V550 VanDerWaalsContact O-CB 3.22Å; Q546-V550 WeakPolarHBondContact O-CB 3.4Å; Q546-V550 WeakPolarHBondContact O-CG2 3.49Å; Q546-V550 PolarHBondContact O-N 3Å; Q546-E585 HydrophobicContact CB-CB 4.38Å; Q546-E585 HydrophobicContact CB-CG 4Å; Q546-E585 VanDerWaalsContact CB-OE2 3.29Å; Q546-E585 WeakPolarHBondContact CB-OE2 3.42Å; Q546-E585 WeakPolarHBondContact CG-OE2 3.49Å; Q546-E585 PolarHBondContact NE2-OE2 3.08Å |
| 547 | T | 93.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64 | -44.5 | -179.8 | -55.2 | 0 | 0 | 0 | 0 | 110.3 | L491 F494 K495 L518 Q543 V544 L549 T551 | L491-T547 HydrophobicContact CB-CG2 4.26Å; L491-T547 HydrophobicContact CD2-CG2 4.25Å; L491-T547 VanDerWaalsContact O-CG2 3.26Å; L491-T547 WeakPolarHBondContact O-CG2 3.43Å; F494-T547 HydrophobicContact CB-CG2 4.26Å; K495-T547 HydrophobicContact CB-CG2 4.15Å; L518-T547 HydrophobicContact CD2-CG2 3.95Å; Q543-T547 PolarHBondContact NE2-OG1 3.09Å; Q543-T547 VanDerWaalsContact O-CB 3.27Å; Q543-T547 WeakPolarHBondContact O-CB 3.34Å; Q543-T547 PolarHBondContact O-N 3.26Å; Q543-T547 PolarHBondContact O-OG1 3.09Å; V544-T547 PolarHBondContact O-N 3.11Å; T547-L549 PolarHBondContact O-N 2.97Å; T547-T551 WeakPolarHBondContact O-CB 3.34Å; T547-T551 PolarHBondContact O-N 2.68Å; T547-T551 PolarHBondContact O-OG1 3.29Å |
| 548 | L | 94.8 | Very high | 89.6 | Confident | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -53 | -58.2 | 175.9 | -178.7 | 73.8 | 0 | 0 | 0 | 111.4 | L518 L519 V522 V544 Y545 W552 L569 | L518-L548 HydrophobicContact CB-CD1 3.73Å; L519-L548 HydrophobicContact CD2-CD1 4.15Å; V522-L548 HydrophobicContact CG2-CD1 4.46Å; V522-L548 HydrophobicContact CG2-CD2 4.02Å; V544-L548 VanDerWaalsContact O-CB 3.31Å; V544-L548 WeakPolarHBondContact O-CB 3.43Å; V544-L548 PolarHBondContact O-N 3.29Å; Y545-L548 PolarHBondContact O-N 3.37Å; L548-W552 HydrophobicContact CD1-CE3 3.67Å; L548-W552 HydrophobicContact CD1-CZ3 3.53Å; L548-W552 HydrophobicContact CG-CE3 4.11Å; L548-W552 HydrophobicContact CG-CZ3 4.36Å; L548-W552 WeakPolarHBondContact O-CB 3.45Å; L548-W552 PolarHBondContact O-N 3.33Å; L548-L569 HydrophobicContact CD2-CD1 3.93Å; L548-L569 HydrophobicContact CG-CD1 4.2Å |
| 549 | L | 93.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -69.5 | -44.1 | -173.5 | -66.4 | 175.9 | 0 | 0 | 0 | 112.1 | Y545 T547 W552 V553 W586 V589 | Y545-L549 WeakPolarHBondContact O-CB 3.28Å; Y545-L549 WeakPolarHBondContact O-CG 3.41Å; Y545-L549 PolarHBondContact O-N 2.93Å; T547-L549 PolarHBondContact O-N 2.97Å; L549-W552 WeakPolarHBondContact O-CB 3.42Å; L549-W552 PolarHBondContact O-N 3.11Å; L549-V553 WeakPolarHBondContact O-CG2 3.29Å; L549-V553 PolarHBondContact O-N 3.48Å; L549-W586 HydrophobicContact CD1-CB 3.94Å; L549-V589 HydrophobicContact CB-CB 4.45Å; L549-V589 HydrophobicContact CB-CG1 4.32Å; L549-V589 HydrophobicContact CB-CG2 3.94Å |
| 550 | V | 91.1 | Very high | 89.4 | Confident | 3 Ų | 3 | 16 Ų | 16 | 2% | 0.018 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.8 | -49.5 | 178.2 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | K495 Q546 W552 V553 F554 V589 M803 | K495-V550 HydrophobicContact CG-CG1 4.13Å; Q546-V550 HydrophobicContact CG-CG2 4.14Å; Q546-V550 VanDerWaalsContact O-CB 3.22Å; Q546-V550 WeakPolarHBondContact O-CB 3.4Å; Q546-V550 WeakPolarHBondContact O-CG2 3.49Å; Q546-V550 PolarHBondContact O-N 3Å; V550-W552 VanDerWaalsContact C-N 3.25Å; V550-W552 PolarHBondContact O-N 3.29Å; V550-V553 PolarHBondContact O-N 3.03Å; V550-F554 HydrophobicContact CG1-CD2 4.03Å; V550-F554 HydrophobicContact CG1-CE2 4.05Å; V550-F554 WeakPolarHBondContact O-CD2 3.5Å; V550-F554 PolarHBondContact O-N 3.14Å; V550-V589 HydrophobicContact CG2-CG2 3.92Å; V550-M803 HydrophobicContact CB-CE 3.91Å; V550-M803 HydrophobicContact CG1-CE 3.67Å; V550-M803 HydrophobicContact CG2-CE 3.66Å |
| 551 | T | 90.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.6 | -35 | 177.8 | -62.7 | 0 | 0 | 0 | 0 | 111.3 | A498 W511 L514 L515 L518 T547 F554 A555 | A498-T551 HydrophobicContact CB-CG2 3.8Å; W511-T551 HydrophobicContact CZ3-CG2 4.07Å; L514-T551 HydrophobicContact CD2-CG2 3.69Å; L514-T551 HydrophobicContact CG-CG2 4.13Å; L515-T551 HydrophobicContact CD2-CG2 4.08Å; L518-T551 HydrophobicContact CD1-CG2 3.73Å; T547-T551 WeakPolarHBondContact O-CB 3.34Å; T547-T551 PolarHBondContact O-N 2.68Å; T547-T551 PolarHBondContact O-OG1 3.29Å; T551-F554 PolarHBondContact O-N 3.2Å; T551-A555 VanDerWaalsContact O-CB 3.24Å; T551-A555 WeakPolarHBondContact O-CB 3.49Å; T551-A555 PolarHBondContact O-N 2.9Å |
| 552 | W | 92.5 | Very high | 89 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.8 | -43.5 | 175.2 | -137 | -75.1 | 0 | 0 | 0 | 112.9 | L515 L519 L548 L549 V550 A555 S556 L565 W566 L569 | L515-W552 HydrophobicContact CB-CE3 4.46Å; L515-W552 HydrophobicContact CB-CH2 4.01Å; L515-W552 HydrophobicContact CB-CZ2 4.39Å; L515-W552 HydrophobicContact CB-CZ3 4.04Å; L515-W552 HydrophobicContact CD1-CD2 4.24Å; L515-W552 HydrophobicContact CD1-CZ2 4.17Å; L515-W552 HydrophobicContact CD2-CB 4.46Å; L515-W552 HydrophobicContact CD2-CD2 3.85Å; L515-W552 HydrophobicContact CD2-CE3 3.7Å; L515-W552 HydrophobicContact CD2-CG 4.22Å; L515-W552 HydrophobicContact CD2-CZ3 4.13Å; L515-W552 HydrophobicContact CG-CE3 4.47Å; L519-W552 HydrophobicContact CD1-CH2 3.76Å; L519-W552 HydrophobicContact CD1-CZ3 4.36Å; L519-W552 HydrophobicContact CD2-CH2 3.92Å; L519-W552 HydrophobicContact CD2-CZ3 3.85Å; L519-W552 HydrophobicContact CG-CH2 3.77Å; L519-W552 HydrophobicContact CG-CZ3 3.85Å; L548-W552 HydrophobicContact CD1-CE3 3.67Å; L548-W552 HydrophobicContact CD1-CZ3 3.53Å; L548-W552 HydrophobicContact CG-CE3 4.11Å; L548-W552 HydrophobicContact CG-CZ3 4.36Å; L548-W552 WeakPolarHBondContact O-CB 3.45Å; L548-W552 PolarHBondContact O-N 3.33Å; L549-W552 WeakPolarHBondContact O-CB 3.42Å; L549-W552 PolarHBondContact O-N 3.11Å; V550-W552 VanDerWaalsContact C-N 3.25Å; V550-W552 PolarHBondContact O-N 3.29Å; W552-A555 PolarHBondContact O-N 3.32Å; W552-S556 WeakPolarHBondContact O-CB 3.45Å; W552-S556 PolarHBondContact O-N 3.49Å; W552-S556 PolarHBondContact O-OG 3.37Å; W552-L565 HydrophobicContact CZ2-CB 4.34Å; W552-L565 WeakPolarHBondContact CZ2-O 3.34Å; W552-W566 AromaticContact CD1-CH2 3.54Å; W552-W566 AromaticContact CD1-CZ2 3.91Å; W552-W566 AromaticContact CD1-CZ3 3.7Å; W552-W566 AromaticContact NE1-CD2 3.94Å; W552-W566 AromaticContact NE1-CE2 3.97Å; W552-W566 AromaticContact NE1-CE3 3.81Å; W552-W566 AromaticContact NE1-CH2 3.87Å; W552-W566 AromaticContact NE1-CZ2 3.99Å; W552-W566 AromaticContact NE1-CZ3 3.75Å; W552-L569 HydrophobicContact CD2-CB 4.48Å; W552-L569 HydrophobicContact CD2-CD1 4.03Å; W552-L569 HydrophobicContact CD2-CD2 3.78Å; W552-L569 HydrophobicContact CD2-CG 4.3Å; W552-L569 HydrophobicContact CE3-CD1 3.74Å; W552-L569 HydrophobicContact CE3-CD2 4.36Å; W552-L569 HydrophobicContact CE3-CG 4.46Å; W552-L569 HydrophobicContact CG-CD2 3.97Å; W552-L569 HydrophobicContact CH2-CB 3.82Å; W552-L569 HydrophobicContact CH2-CD1 4.18Å; W552-L569 HydrophobicContact CH2-CG 4.47Å; W552-L569 HydrophobicContact CZ2-CB 3.59Å; W552-L569 HydrophobicContact CZ2-CD1 4.43Å; W552-L569 HydrophobicContact CZ2-CD2 4.28Å; W552-L569 HydrophobicContact CZ2-CG 4.3Å; W552-L569 HydrophobicContact CZ3-CB 4.36Å; W552-L569 HydrophobicContact CZ3-CD1 3.83Å |
| 553 | V | 89.6 | Confident | 88.9 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.8 | -52.3 | 178.2 | 173.4 | 0 | 0 | 0 | 0 | 110.2 | L549 V550 A555 S556 L557 V589 I593 M803 I807 V829 I833 | L549-V553 WeakPolarHBondContact O-CG2 3.29Å; L549-V553 PolarHBondContact O-N 3.48Å; V550-V553 PolarHBondContact O-N 3.03Å; V553-A555 PolarHBondContact O-N 3.07Å; V553-S556 PolarHBondContact O-N 3.21Å; V553-L557 HydrophobicContact CG1-CD1 4.2Å; V553-L557 WeakPolarHBondContact O-CG 3.34Å; V553-L557 PolarHBondContact O-N 3.39Å; V553-L557 VanDerWaalsContact O-N 3.15Å; V553-V589 HydrophobicContact CG2-CG1 4.02Å; V553-I593 HydrophobicContact CG1-CD1 4.31Å; V553-I593 HydrophobicContact CG1-CG1 4.19Å; V553-I593 HydrophobicContact CG2-CD1 3.45Å; V553-I593 VanDerWaalsContact CG2-CD1 3.45Å; V553-I593 HydrophobicContact CG2-CG1 4.11Å; V553-M803 HydrophobicContact CB-CE 4.36Å; V553-M803 HydrophobicContact CG1-CE 4.44Å; V553-M803 HydrophobicContact CG1-SD 4.1Å; V553-I807 HydrophobicContact CG1-CD1 4.42Å; V553-V829 HydrophobicContact CG1-CG1 4.26Å; V553-V829 HydrophobicContact CG2-CG1 4.33Å; V553-I833 HydrophobicContact CG2-CD1 4.42Å; V553-I833 HydrophobicContact CG2-CG1 4.25Å |
| 554 | F | 87.5 | Confident | 88.7 | Confident | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.009 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.1 | -41.7 | 179.4 | -80.6 | -82.3 | 0 | 0 | 0 | 112.3 | C499 W511 V550 T551 S556 L557 N558 M803 R806 L810 | C499-F554 HydrophobicContact CB-CE2 4.35Å; C499-F554 HydrophobicContact CB-CZ 4.43Å; C499-F554 WeakPolarHBondContact SG-CE2 3.42Å; W511-F554 HydrophobicContact CH2-CB 4.2Å; V550-F554 HydrophobicContact CG1-CD2 4.03Å; V550-F554 HydrophobicContact CG1-CE2 4.05Å; V550-F554 WeakPolarHBondContact O-CD2 3.5Å; V550-F554 PolarHBondContact O-N 3.14Å; T551-F554 PolarHBondContact O-N 3.2Å; F554-S556 VanDerWaalsContact C-N 3.26Å; F554-S556 PolarHBondContact O-N 2.99Å; F554-L557 PolarHBondContact O-N 3.17Å; F554-N558 PolarHBondContact O-N 3.42Å; F554-N558 VanDerWaalsContact O-N 3.09Å; F554-N558 PolarHBondContact O-ND2 3.13Å; F554-M803 HydrophobicContact CE2-CE 4.08Å; F554-M803 HydrophobicContact CE2-CG 3.96Å; F554-M803 HydrophobicContact CZ-CG 4.13Å; F554-R806 HydrophobicContact CE1-CB 4.34Å; F554-R806 HydrophobicContact CZ-CB 4.14Å; F554-L810 HydrophobicContact CD1-CD1 4.05Å; F554-L810 HydrophobicContact CE1-CD1 3.99Å |
| 555 | A | 88.3 | Confident | 88.5 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.9 | -40.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | W511 L515 T551 W552 V553 L557 N558 A559 L561 | W511-A555 HydrophobicContact CD2-CB 3.88Å; W511-A555 HydrophobicContact CE3-CB 3.36Å; W511-A555 HydrophobicContact CG-CB 4.41Å; W511-A555 HydrophobicContact CZ3-CB 3.76Å; L515-A555 HydrophobicContact CD1-CB 3.91Å; L515-A555 HydrophobicContact CD2-CB 4.1Å; L515-A555 HydrophobicContact CG-CB 4.26Å; T551-A555 VanDerWaalsContact O-CB 3.24Å; T551-A555 WeakPolarHBondContact O-CB 3.49Å; T551-A555 PolarHBondContact O-N 2.9Å; W552-A555 PolarHBondContact O-N 3.32Å; V553-A555 PolarHBondContact O-N 3.07Å; A555-L557 VanDerWaalsContact C-N 3.34Å; A555-L557 PolarHBondContact O-N 2.97Å; A555-N558 PolarHBondContact O-N 3.05Å; A555-A559 PolarHBondContact O-N 2.87Å; A555-A559 VanDerWaalsContact O-O 3.09Å; A555-L561 HydrophobicContact CB-CD1 4.39Å; A555-L561 HydrophobicContact CB-CD2 4.38Å |
| 556 | S | 85.3 | Confident | 88.4 | Confident | 19 Ų | 19 | 28.1 Ų | 28.1 | 13% | 0.133 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -71.2 | -27.6 | -178.7 | -52.8 | 0 | 0 | 0 | 0 | 113.8 | W552 V553 F554 L561 W566 | W552-S556 WeakPolarHBondContact O-CB 3.45Å; W552-S556 PolarHBondContact O-N 3.49Å; W552-S556 PolarHBondContact O-OG 3.37Å; V553-S556 PolarHBondContact O-N 3.21Å; F554-S556 VanDerWaalsContact C-N 3.26Å; F554-S556 PolarHBondContact O-N 2.99Å; S556-L561 WeakPolarHBondContact OG-CD1 3.37Å; S556-W566 WeakPolarHBondContact OG-CZ2 3.12Å |
| 557 | L | 83.3 | Confident | 88.3 | Confident | 43 Ų | 43 | 31.3 Ų | 31.3 | 23% | 0.225 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -82 | -28.8 | 176.6 | -65.7 | 174.6 | 0 | 0 | 0 | 112.2 | V553 F554 A555 I807 A825 L826 V829 | V553-L557 HydrophobicContact CG1-CD1 4.2Å; V553-L557 WeakPolarHBondContact O-CG 3.34Å; V553-L557 PolarHBondContact O-N 3.39Å; V553-L557 VanDerWaalsContact O-N 3.15Å; F554-L557 PolarHBondContact O-N 3.17Å; A555-L557 VanDerWaalsContact C-N 3.34Å; A555-L557 PolarHBondContact O-N 2.97Å; L557-I807 HydrophobicContact CD1-CD1 4.08Å; L557-I807 HydrophobicContact CD1-CG1 3.95Å; L557-I807 HydrophobicContact CD1-CG2 4.25Å; L557-A825 HydrophobicContact CD2-CB 4.35Å; L557-L826 HydrophobicContact CD1-CD1 4.31Å; L557-L826 HydrophobicContact CD2-CB 4.15Å; L557-L826 HydrophobicContact CD2-CD1 4.12Å; L557-V829 HydrophobicContact CD2-CG2 4.35Å |
| 558 | N | 81.9 | Confident | 88.2 | Confident | 56 Ų | 56 | 33.5 Ų | 33.5 | 30% | 0.299 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -99.1 | -19.4 | -176 | -70.1 | -86.9 | 0 | 0 | 0 | 113.9 | T503 W511 F554 A555 | T503-N558 WeakPolarHBondContact CB-OD1 3.48Å; W511-N558 HydrophobicContact CZ2-CB 4.26Å; F554-N558 PolarHBondContact O-N 3.42Å; F554-N558 VanDerWaalsContact O-N 3.09Å; F554-N558 PolarHBondContact O-ND2 3.13Å; A555-N558 PolarHBondContact O-N 3.05Å |
| 559 | A | 81.7 | Confident | 88.1 | Confident | 8 Ų | 8 | 33.4 Ų | 33.4 | 7% | 0.066 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -148.1 | 143.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q508 W511 A555 L561 | Q508-A559 HydrophobicContact CB-CB 4.31Å; Q508-A559 HydrophobicContact CG-CB 4.24Å; W511-A559 HydrophobicContact CB-CB 4.49Å; W511-A559 HydrophobicContact CG-CB 4.3Å; A555-A559 PolarHBondContact O-N 2.87Å; A555-A559 VanDerWaalsContact O-O 3.09Å; A559-L561 PolarHBondContact O-N 2.94Å |
| 560 | P | 80.5 | Confident | 88 | Confident | 97 Ų | 97 | 35.2 Ų | 35.2 | 63% | 0.63 | 20% | 0.198 | S | C | * | . | P | Polyproline II helix | trans | -71 | 117.2 | 175.1 | 23.5 | -25 | 0 | 0 | 0 | 110.4 | Q508 H512 | Q508-P560 PolarHBondContact NE2-O 3.5Å; H512-P560 PolarHBondContact NE2-O 2.96Å |
| 561 | L | 86 | Confident | 88 | Confident | 22 Ų | 22 | 37.7 Ų | 37.7 | 12% | 0.115 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -92.5 | 133.3 | -179.2 | -59.4 | -178.7 | 0 | 0 | 0 | 112 | L515 A555 S556 A559 W566 | L515-L561 HydrophobicContact CD1-CD1 3.82Å; L515-L561 HydrophobicContact CD1-CD2 3.76Å; L515-L561 HydrophobicContact CD1-CG 4.46Å; A555-L561 HydrophobicContact CB-CD1 4.39Å; A555-L561 HydrophobicContact CB-CD2 4.38Å; S556-L561 WeakPolarHBondContact OG-CD1 3.37Å; A559-L561 PolarHBondContact O-N 2.94Å; L561-W566 HydrophobicContact CD1-CZ2 4.12Å |
| 562 | P | 87.3 | Confident | 88.1 | Confident | 55 Ų | 55 | 37.7 Ų | 37.7 | 36% | 0.357 | 21% | 0.211 | S | C | . | . | P | Polyproline II helix | trans | -65 | 148.6 | 175.4 | 26.3 | -34.8 | 0 | 0 | 0 | 111.8 | H512 Q564 L565 | H512-P562 WeakPolarHBondContact NE2-CD 3.29Å; P562-Q564 VanDerWaalsContact C-N 3.26Å; P562-Q564 PolarHBondContact O-N 3.47Å; P562-L565 HydrophobicContact CG-CB 4.35Å; P562-L565 HydrophobicContact CG-CD1 3.76Å; P562-L565 HydrophobicContact CG-CG 3.88Å; P562-L565 PolarHBondContact O-N 2.84Å; P562-L565 VanDerWaalsContact O-N 3.11Å |
| 563 | V | 88 | Confident | 88 | Confident | 93 Ų | 93 | 37.8 Ų | 37.8 | 56% | 0.564 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -57.4 | -39.2 | -178.5 | -177 | 0 | 0 | 0 | 0 | 111.8 | L565 W566 D567 | V563-L565 VanDerWaalsContact C-N 3.26Å; V563-L565 PolarHBondContact O-N 2.95Å; V563-W566 WeakPolarHBondContact O-CA 3.36Å; V563-W566 WeakPolarHBondContact O-CB 3.17Å; V563-W566 PolarHBondContact O-N 3.3Å; V563-D567 PolarHBondContact O-N 3.44Å |
| 564 | Q | 88.2 | Confident | 88.1 | Confident | 146 Ų | 146 | 42 Ų | 42 | 68% | 0.682 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -56.6 | -35.8 | 178 | -66.7 | 173.6 | -10.2 | 0 | 0 | 113.6 | P562 W566 D567 N568 | P562-Q564 VanDerWaalsContact C-N 3.26Å; P562-Q564 PolarHBondContact O-N 3.47Å; Q564-W566 VanDerWaalsContact C-N 3.34Å; Q564-D567 PolarHBondContact O-N 2.95Å; Q564-N568 PolarHBondContact O-N 3.11Å; Q564-N568 PolarHBondContact O-ND2 2.96Å; Q564-N568 PolarHBondContact O-OD1 3.37Å |
| 565 | L | 89.4 | Confident | 88.2 | Confident | 6 Ų | 6 | 47.4 Ų | 47.4 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.7 | -36.4 | 176.9 | -75.2 | 179.5 | 0 | 0 | 0 | 111.3 | H512 K516 W552 P562 V563 N568 L569 | H512-L565 HydrophobicContact CB-CD1 4.11Å; H512-L565 VanDerWaalsContact CD2-CD1 3.42Å; H512-L565 WeakPolarHBondContact CD2-CD1 3.46Å; K516-L565 HydrophobicContact CG-CD2 3.78Å; W552-L565 HydrophobicContact CZ2-CB 4.34Å; W552-L565 WeakPolarHBondContact CZ2-O 3.34Å; P562-L565 HydrophobicContact CG-CB 4.35Å; P562-L565 HydrophobicContact CG-CD1 3.76Å; P562-L565 HydrophobicContact CG-CG 3.88Å; P562-L565 PolarHBondContact O-N 2.84Å; P562-L565 VanDerWaalsContact O-N 3.11Å; V563-L565 VanDerWaalsContact C-N 3.26Å; V563-L565 PolarHBondContact O-N 2.95Å; L565-N568 PolarHBondContact O-N 2.68Å; L565-L569 PolarHBondContact O-N 3.41Å |
| 566 | W | 90.8 | Very high | 88.4 | Confident | 14 Ų | 14 | 47.8 Ų | 47.8 | 5% | 0.053 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 173 | -74.8 | 99.9 | 0 | 0 | 0 | 111.6 | W552 S556 L561 V563 Q564 N568 L569 V570 R832 I833 | W552-W566 AromaticContact CD1-CH2 3.54Å; W552-W566 AromaticContact CD1-CZ2 3.91Å; W552-W566 AromaticContact CD1-CZ3 3.7Å; W552-W566 AromaticContact NE1-CD2 3.94Å; W552-W566 AromaticContact NE1-CE2 3.97Å; W552-W566 AromaticContact NE1-CE3 3.81Å; W552-W566 AromaticContact NE1-CH2 3.87Å; W552-W566 AromaticContact NE1-CZ2 3.99Å; W552-W566 AromaticContact NE1-CZ3 3.75Å; S556-W566 WeakPolarHBondContact OG-CZ2 3.12Å; L561-W566 HydrophobicContact CD1-CZ2 4.12Å; V563-W566 WeakPolarHBondContact O-CA 3.36Å; V563-W566 WeakPolarHBondContact O-CB 3.17Å; V563-W566 PolarHBondContact O-N 3.3Å; Q564-W566 VanDerWaalsContact C-N 3.34Å; W566-N568 VanDerWaalsContact C-N 3.27Å; W566-N568 PolarHBondContact O-N 3.06Å; W566-L569 HydrophobicContact CE3-CD2 3.92Å; W566-L569 HydrophobicContact CZ3-CD2 3.8Å; W566-L569 WeakPolarHBondContact O-CB 3.29Å; W566-L569 PolarHBondContact O-N 2.82Å; W566-V570 VanDerWaalsContact O-CG2 3.26Å; W566-V570 WeakPolarHBondContact O-CG2 3.31Å; W566-V570 PolarHBondContact O-N 3.01Å; W566-R832 HydrophobicContact CE3-CB 4.01Å; W566-R832 HydrophobicContact CH2-CB 3.83Å; W566-R832 HydrophobicContact CZ2-CB 4.39Å; W566-R832 HydrophobicContact CZ3-CB 3.64Å; W566-I833 HydrophobicContact CH2-CD1 4.08Å; W566-I833 HydrophobicContact CZ3-CD1 3.91Å |
| 567 | D | 90.3 | Very high | 88.6 | Confident | 93 Ų | 93 | 47.9 Ų | 47.9 | 50% | 0.497 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.8 | -41.9 | 175.5 | -60.6 | -29 | 0 | 0 | 0 | 110.7 | V563 Q564 V570 D571 | V563-D567 PolarHBondContact O-N 3.44Å; Q564-D567 PolarHBondContact O-N 2.95Å; D567-V570 PolarHBondContact O-N 2.97Å; D567-D571 WeakPolarHBondContact O-CB 3.29Å; D567-D571 PolarHBondContact O-N 2.99Å |
| 568 | N | 91.7 | Very high | 88.8 | Confident | 45 Ų | 45 | 48 Ų | 48 | 24% | 0.241 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.5 | -39.5 | 176.1 | -67 | -10.2 | 0 | 0 | 0 | 113 | L519 Q564 L565 W566 T572 | L519-N568 HydrophobicContact CD1-CB 3.69Å; Q564-N568 PolarHBondContact O-N 3.11Å; Q564-N568 PolarHBondContact O-ND2 2.96Å; Q564-N568 PolarHBondContact O-OD1 3.37Å; L565-N568 PolarHBondContact O-N 2.68Å; W566-N568 VanDerWaalsContact C-N 3.27Å; W566-N568 PolarHBondContact O-N 3.06Å; N568-T572 VanDerWaalsContact O-CB 3.29Å; N568-T572 WeakPolarHBondContact O-CB 3.21Å; N568-T572 PolarHBondContact O-N 3.3Å; N568-T572 PolarHBondContact O-OG1 2.73Å |
| 569 | L | 93.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.4 | -49 | 173.9 | 176.8 | 67.6 | 0 | 0 | 0 | 110.6 | L548 W552 L565 W566 T572 C573 I833 C836 | L548-L569 HydrophobicContact CD2-CD1 3.93Å; L548-L569 HydrophobicContact CG-CD1 4.2Å; W552-L569 HydrophobicContact CD2-CB 4.48Å; W552-L569 HydrophobicContact CD2-CD1 4.03Å; W552-L569 HydrophobicContact CD2-CD2 3.78Å; W552-L569 HydrophobicContact CD2-CG 4.3Å; W552-L569 HydrophobicContact CE3-CD1 3.74Å; W552-L569 HydrophobicContact CE3-CD2 4.36Å; W552-L569 HydrophobicContact CE3-CG 4.46Å; W552-L569 HydrophobicContact CG-CD2 3.97Å; W552-L569 HydrophobicContact CH2-CB 3.82Å; W552-L569 HydrophobicContact CH2-CD1 4.18Å; W552-L569 HydrophobicContact CH2-CG 4.47Å; W552-L569 HydrophobicContact CZ2-CB 3.59Å; W552-L569 HydrophobicContact CZ2-CD1 4.43Å; W552-L569 HydrophobicContact CZ2-CD2 4.28Å; W552-L569 HydrophobicContact CZ2-CG 4.3Å; W552-L569 HydrophobicContact CZ3-CB 4.36Å; W552-L569 HydrophobicContact CZ3-CD1 3.83Å; L565-L569 PolarHBondContact O-N 3.41Å; W566-L569 HydrophobicContact CE3-CD2 3.92Å; W566-L569 HydrophobicContact CZ3-CD2 3.8Å; W566-L569 WeakPolarHBondContact O-CB 3.29Å; W566-L569 PolarHBondContact O-N 2.82Å; L569-T572 PolarHBondContact O-N 2.97Å; L569-C573 WeakPolarHBondContact O-CB 3.46Å; L569-C573 PolarHBondContact O-N 2.61Å; L569-C573 PolarHBondContact O-SG 3.5Å; L569-C573 VanDerWaalsContact O-SG 3.39Å; L569-I833 HydrophobicContact CD2-CD1 4.44Å; L569-C836 HydrophobicContact CD2-CB 4.35Å |
| 570 | V | 91.3 | Very high | 89.6 | Confident | 38 Ų | 38 | 49.3 Ų | 49.3 | 23% | 0.23 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61 | -47.3 | -179 | 173.3 | 0 | 0 | 0 | 0 | 110.3 | W566 D567 T572 C573 Q574 | W566-V570 VanDerWaalsContact O-CG2 3.26Å; W566-V570 WeakPolarHBondContact O-CG2 3.31Å; W566-V570 PolarHBondContact O-N 3.01Å; D567-V570 PolarHBondContact O-N 2.97Å; V570-T572 VanDerWaalsContact C-N 3.33Å; V570-T572 PolarHBondContact O-N 2.81Å; V570-C573 PolarHBondContact O-N 2.84Å; V570-Q574 HydrophobicContact CG1-CG 4.14Å; V570-Q574 VanDerWaalsContact O-CB 3.27Å; V570-Q574 WeakPolarHBondContact O-CB 3.48Å; V570-Q574 VanDerWaalsContact O-CG 3.25Å; V570-Q574 WeakPolarHBondContact O-CG 3.18Å; V570-Q574 PolarHBondContact O-N 2.93Å |
| 571 | D | 91.2 | Very high | 90.1 | Very high | 54 Ų | 54 | 45.5 Ų | 45.5 | 29% | 0.289 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59 | -43.7 | 176.2 | -179.4 | 71.8 | 0 | 0 | 0 | 111.9 | D567 K575 | D567-D571 WeakPolarHBondContact O-CB 3.29Å; D567-D571 PolarHBondContact O-N 2.99Å; D571-K575 WeakPolarHBondContact O-CB 3.27Å; D571-K575 WeakPolarHBondContact O-CG 3.49Å; D571-K575 PolarHBondContact O-N 3.25Å; D571-K575 VanDerWaalsContact O-N 3.11Å; D571-K575 WeakPolarHBondContact OD1-CE 3.37Å; D571-K575 IonicContact OD1-NZ 3.81Å; D571-K575 PolarHBondContact OD1-NZ 2.93Å; D571-K575 WeakPolarHBondContact OD2-CE 3.46Å; D571-K575 IonicContact OD2-NZ 3.5Å; D571-K575 PolarHBondContact OD2-NZ 3.41Å |
| 572 | T | 91.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64 | -44.6 | 179.7 | -59 | 0 | 0 | 0 | 0 | 112 | L519 V522 H523 N568 L569 V570 R576 | L519-T572 HydrophobicContact CD2-CG2 4.1Å; V522-T572 HydrophobicContact CB-CG2 4.2Å; V522-T572 HydrophobicContact CG1-CG2 3.58Å; H523-T572 PolarHBondContact CE1-OG1 3.32Å; N568-T572 VanDerWaalsContact O-CB 3.29Å; N568-T572 WeakPolarHBondContact O-CB 3.21Å; N568-T572 PolarHBondContact O-N 3.3Å; N568-T572 PolarHBondContact O-OG1 2.73Å; L569-T572 PolarHBondContact O-N 2.97Å; V570-T572 VanDerWaalsContact C-N 3.33Å; V570-T572 PolarHBondContact O-N 2.81Å; T572-R576 PolarHBondContact O-NH1 2.81Å |
| 573 | C | 92.3 | Very high | 90.7 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.007 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70.5 | -44.3 | 179 | -73 | 0 | 0 | 0 | 0 | 112.1 | L569 V570 K575 R576 T577 L582 C836 L837 | L569-C573 WeakPolarHBondContact O-CB 3.46Å; L569-C573 PolarHBondContact O-N 2.61Å; L569-C573 PolarHBondContact O-SG 3.5Å; L569-C573 VanDerWaalsContact O-SG 3.39Å; V570-C573 PolarHBondContact O-N 2.84Å; C573-K575 VanDerWaalsContact C-N 3.34Å; C573-K575 PolarHBondContact O-N 3.3Å; C573-R576 CarbonylContact O-C 3.58Å; C573-R576 PolarHBondContact O-N 3.03Å; C573-R576 VanDerWaalsContact O-N 3.1Å; C573-T577 PolarHBondContact O-N 3.33Å; C573-L582 HydrophobicContact CB-CD2 4.37Å; C573-C836 WeakPolarHBondContact CB-O 3.44Å; C573-L837 HydrophobicContact CB-CD2 3.92Å |
| 574 | Q | 90.9 | Very high | 90.9 | Very high | 89 Ų | 89 | 43.7 Ų | 43.7 | 42% | 0.416 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.8 | -38.5 | -179.9 | -78.1 | -179.2 | 3.6 | 0 | 0 | 112.6 | V570 R576 | V570-Q574 HydrophobicContact CG1-CG 4.14Å; V570-Q574 VanDerWaalsContact O-CB 3.27Å; V570-Q574 WeakPolarHBondContact O-CB 3.48Å; V570-Q574 VanDerWaalsContact O-CG 3.25Å; V570-Q574 WeakPolarHBondContact O-CG 3.18Å; V570-Q574 PolarHBondContact O-N 2.93Å; Q574-R576 PolarHBondContact O-N 2.8Å |
| 575 | K | 89.7 | Confident | 91.1 | Very high | 115 Ų | 115 | 36.8 Ų | 36.8 | 50% | 0.5 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -7.5 | 176.8 | -73.4 | 172.3 | 177.5 | 162.7 | 0 | 114.1 | D571 C573 | D571-K575 WeakPolarHBondContact O-CB 3.27Å; D571-K575 WeakPolarHBondContact O-CG 3.49Å; D571-K575 PolarHBondContact O-N 3.25Å; D571-K575 VanDerWaalsContact O-N 3.11Å; D571-K575 WeakPolarHBondContact OD1-CE 3.37Å; D571-K575 IonicContact OD1-NZ 3.81Å; D571-K575 PolarHBondContact OD1-NZ 2.93Å; D571-K575 WeakPolarHBondContact OD2-CE 3.46Å; D571-K575 IonicContact OD2-NZ 3.5Å; D571-K575 PolarHBondContact OD2-NZ 3.41Å; C573-K575 VanDerWaalsContact C-N 3.34Å; C573-K575 PolarHBondContact O-N 3.3Å |
| 576 | R | 92 | Very high | 91.4 | Very high | 9 Ų | 9 | 36.5 Ų | 36.5 | 3% | 0.034 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.3 | 21.1 | -171.8 | -72.3 | 175.9 | -177.5 | 78.9 | -1.5 | 112.9 | H523 L526 Y545 T572 C573 Q574 D578 W579 L582 | H523-R576 PolarHBondContact CD2-NH2 2.77Å; L526-R576 PolarHBondContact O-NE 3.26Å; L526-R576 PolarHBondContact O-NH2 2.91Å; Y545-R576 WeakPolarHBondContact OH-CD 3.46Å; T572-R576 PolarHBondContact O-NH1 2.81Å; C573-R576 CarbonylContact O-C 3.58Å; C573-R576 PolarHBondContact O-N 3.03Å; C573-R576 VanDerWaalsContact O-N 3.1Å; Q574-R576 PolarHBondContact O-N 2.8Å; R576-D578 PolarHBondContact O-N 3.39Å; R576-D578 VanDerWaalsContact O-N 3.09Å; R576-W579 WeakPolarHBondContact O-CB 3.34Å; R576-W579 PolarHBondContact O-N 2.86Å; R576-W579 VanDerWaalsContact O-N 3.09Å; R576-L582 HydrophobicContact CB-CD2 4.35Å |
| 577 | T | 89.8 | Confident | 91.5 | Very high | 20 Ų | 20 | 36.1 Ų | 36.1 | 12% | 0.123 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -21.2 | 179.8 | 49.2 | 0 | 0 | 0 | 0 | 113.6 | C573 W579 V843 I848 M852 | C573-T577 PolarHBondContact O-N 3.33Å; T577-W579 PolarHBondContact O-N 3.35Å; T577-V843 HydrophobicContact CG2-CG2 4.34Å; T577-I848 WeakPolarHBondContact O-CG2 3.48Å; T577-M852 HydrophobicContact CG2-CE 4.31Å |
| 578 | D | 87.6 | Confident | 91.6 | Very high | 46 Ų | 46 | 34.8 Ų | 34.8 | 25% | 0.246 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -9 | 178.7 | -61.5 | -22.3 | 0 | 0 | 0 | 113.3 | P530 R576 S580 T844 I848 | P530-D578 HydrophobicContact CG-CB 3.81Å; P530-D578 VanDerWaalsContact CG-O 3.29Å; P530-D578 WeakPolarHBondContact CG-O 3.37Å; R576-D578 PolarHBondContact O-N 3.39Å; R576-D578 VanDerWaalsContact O-N 3.09Å; D578-S580 PolarHBondContact O-N 2.95Å; D578-T844 PolarHBondContact OD1-OG1 3.24Å; D578-I848 VanDerWaalsContact C-CD1 3.43Å; D578-I848 VanDerWaalsContact CA-CD1 3.5Å; D578-I848 HydrophobicContact CB-CD1 4.46Å; D578-I848 WeakPolarHBondContact O-CD1 3.25Å |
| 579 | W | 90.1 | Very high | 91.6 | Very high | 15 Ų | 15 | 32.6 Ų | 32.6 | 6% | 0.057 | 17% | 0.167 | C | C | . | . | trans | -82.9 | 107 | 173.3 | -75.6 | 87 | 0 | 0 | 0 | 111.1 | L526 P527 P530 C533 A541 Y545 R576 T577 A581 L582 V583 | L526-W579 HydrophobicContact CD2-CH2 4.08Å; L526-W579 HydrophobicContact CD2-CZ2 4.35Å; L526-W579 HydrophobicContact CD2-CZ3 4.31Å; P527-W579 HydrophobicContact CG-CZ2 4.15Å; P527-W579 PolarHBondContact O-NE1 3.41Å; P530-W579 HydrophobicContact CB-CD2 4.29Å; P530-W579 HydrophobicContact CB-CZ2 4.31Å; P530-W579 HydrophobicContact CG-CD2 4.14Å; P530-W579 HydrophobicContact CG-CG 4.07Å; C533-W579 HydrophobicContact CB-CH2 3.55Å; C533-W579 HydrophobicContact CB-CZ2 3.98Å; A541-W579 HydrophobicContact CB-CE3 3.95Å; A541-W579 HydrophobicContact CB-CZ3 3.81Å; Y545-W579 HydrophobicContact CE2-CB 3.98Å; Y545-W579 HydrophobicContact CE2-CG 4.29Å; R576-W579 WeakPolarHBondContact O-CB 3.34Å; R576-W579 PolarHBondContact O-N 2.86Å; R576-W579 VanDerWaalsContact O-N 3.09Å; T577-W579 PolarHBondContact O-N 3.35Å; W579-A581 PolarHBondContact O-N 2.99Å; W579-L582 HydrophobicContact CB-CB 4.19Å; W579-L582 WeakPolarHBondContact O-CB 3.25Å; W579-L582 PolarHBondContact O-N 3.43Å; W579-V583 PolarHBondContact O-N 3.38Å | ||
| 580 | S | 89.9 | Confident | 91.6 | Very high | 76 Ų | 76 | 32.6 Ų | 32.6 | 53% | 0.531 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -55.3 | -35.2 | 175.5 | 60.5 | 0 | 0 | 0 | 0 | 113.1 | D578 L582 V583 F584 | D578-S580 PolarHBondContact O-N 2.95Å; S580-L582 VanDerWaalsContact C-N 3.31Å; S580-L582 PolarHBondContact O-N 2.93Å; S580-V583 PolarHBondContact O-N 3.39Å; S580-F584 PolarHBondContact O-N 3.27Å |
| 581 | A | 91.1 | Very high | 91.6 | Very high | 18 Ų | 18 | 33.3 Ų | 33.3 | 15% | 0.149 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.1 | -35.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A541 Y545 W579 E585 | A541-A581 HydrophobicContact CB-CB 3.95Å; Y545-A581 HydrophobicContact CD2-CB 4.27Å; W579-A581 PolarHBondContact O-N 2.99Å; A581-E585 WeakPolarHBondContact O-CG 3.43Å; A581-E585 PolarHBondContact O-N 3.24Å; A581-E585 VanDerWaalsContact O-N 3.11Å |
| 582 | L | 94.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.3 | -47.7 | 175.4 | 170.9 | 59.7 | 0 | 0 | 0 | 110.2 | Y545 C573 R576 W579 S580 F584 E585 W586 L837 | Y545-L582 HydrophobicContact CD1-CB 4.16Å; Y545-L582 HydrophobicContact CD1-CD1 3.52Å; Y545-L582 HydrophobicContact CD1-CG 4.33Å; Y545-L582 HydrophobicContact CD2-CB 3.73Å; Y545-L582 HydrophobicContact CE1-CB 4.07Å; Y545-L582 HydrophobicContact CE1-CD1 3.85Å; Y545-L582 HydrophobicContact CE1-CD2 4.32Å; Y545-L582 HydrophobicContact CE1-CG 4.29Å; Y545-L582 HydrophobicContact CE2-CB 3.63Å; Y545-L582 HydrophobicContact CG-CB 3.99Å; Y545-L582 HydrophobicContact CG-CD1 3.88Å; C573-L582 HydrophobicContact CB-CD2 4.37Å; R576-L582 HydrophobicContact CB-CD2 4.35Å; W579-L582 HydrophobicContact CB-CB 4.19Å; W579-L582 WeakPolarHBondContact O-CB 3.25Å; W579-L582 PolarHBondContact O-N 3.43Å; S580-L582 VanDerWaalsContact C-N 3.31Å; S580-L582 PolarHBondContact O-N 2.93Å; L582-F584 VanDerWaalsContact C-N 3.35Å; L582-F584 PolarHBondContact O-N 3.39Å; L582-E585 PolarHBondContact O-N 3.18Å; L582-W586 WeakPolarHBondContact O-CB 3.26Å; L582-W586 PolarHBondContact O-N 2.99Å; L582-L837 HydrophobicContact CD1-CD2 4.2Å; L582-L837 HydrophobicContact CD2-CD2 3.91Å; L582-L837 HydrophobicContact CG-CD2 3.97Å |
| 583 | V | 91.7 | Very high | 91.4 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.018 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.2 | -41.7 | -178.8 | -178.1 | 0 | 0 | 0 | 0 | 111.3 | W579 S580 W586 G587 I848 H851 M852 | W579-V583 PolarHBondContact O-N 3.38Å; S580-V583 PolarHBondContact O-N 3.39Å; V583-W586 HydrophobicContact CG1-CE3 4.38Å; V583-G587 PolarHBondContact O-N 2.98Å; V583-I848 HydrophobicContact CG2-CG2 3.71Å; V583-H851 HydrophobicContact CG1-CB 4.19Å; V583-M852 HydrophobicContact CG1-CB 4.44Å; V583-M852 HydrophobicContact CG1-CG 3.53Å; V583-M852 HydrophobicContact CG2-CE 3.43Å; V583-M852 VanDerWaalsContact CG2-CE 3.43Å; V583-M852 HydrophobicContact CG2-CG 4.18Å |
| 584 | F | 91.6 | Very high | 91.4 | Very high | 128 Ų | 128 | 30.9 Ų | 30.9 | 56% | 0.561 | 16% | 0.156 | S | C | * | . | H | α-helix | trans | -65.1 | -46.4 | 179.4 | -170.3 | -119.5 | 0 | 0 | 0 | 112.4 | S580 L582 G587 K588 | S580-F584 PolarHBondContact O-N 3.27Å; L582-F584 VanDerWaalsContact C-N 3.35Å; L582-F584 PolarHBondContact O-N 3.39Å; F584-G587 PolarHBondContact O-N 3.08Å; F584-K588 HydrophobicContact CE1-CD 4.4Å; F584-K588 VanDerWaalsContact CZ-CE 3.49Å; F584-K588 PolarHBondContact O-N 3.11Å |
| 585 | E | 93.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -71.6 | -35.4 | 177.8 | -67.3 | -59 | 141.9 | 0 | 0 | 112.4 | S542 Q546 A581 L582 G587 K588 V589 | S542-E585 WeakPolarHBondContact O-CG 3.42Å; S542-E585 PolarHBondContact OG-OE1 3.49Å; Q546-E585 HydrophobicContact CB-CB 4.38Å; Q546-E585 HydrophobicContact CB-CG 4Å; Q546-E585 VanDerWaalsContact CB-OE2 3.29Å; Q546-E585 WeakPolarHBondContact CB-OE2 3.42Å; Q546-E585 WeakPolarHBondContact CG-OE2 3.49Å; Q546-E585 PolarHBondContact NE2-OE2 3.08Å; A581-E585 WeakPolarHBondContact O-CG 3.43Å; A581-E585 PolarHBondContact O-N 3.24Å; A581-E585 VanDerWaalsContact O-N 3.11Å; L582-E585 PolarHBondContact O-N 3.18Å; E585-G587 VanDerWaalsContact C-N 3.3Å; E585-G587 PolarHBondContact O-N 2.98Å; E585-K588 PolarHBondContact O-N 3.38Å; E585-K588 IonicContact OE1-NZ 3.1Å; E585-K588 PolarHBondContact OE1-NZ 3.28Å; E585-K588 IonicContact OE2-NZ 3.31Å; E585-V589 WeakPolarHBondContact O-CB 3.27Å; E585-V589 WeakPolarHBondContact O-CG2 3.42Å; E585-V589 PolarHBondContact O-N 3.49Å |
| 586 | W | 95.1 | Very high | 91 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.4 | -44.5 | 168.4 | 169.3 | 78.5 | 0 | 0 | 0 | 111.5 | L549 L582 V583 V589 M590 I833 L834 L837 I840 V855 I856 | L549-W586 HydrophobicContact CD1-CB 3.94Å; L582-W586 WeakPolarHBondContact O-CB 3.26Å; L582-W586 PolarHBondContact O-N 2.99Å; V583-W586 HydrophobicContact CG1-CE3 4.38Å; W586-V589 PolarHBondContact O-N 3.01Å; W586-M590 HydrophobicContact CD2-CG 4.21Å; W586-M590 HydrophobicContact CG-CG 4.39Å; W586-M590 HydrophobicContact CZ2-CG 4.1Å; W586-M590 WeakPolarHBondContact O-CB 3Å; W586-M590 WeakPolarHBondContact O-CG 3.26Å; W586-M590 PolarHBondContact O-N 3.33Å; W586-I833 PolarHBondContact NE1-O 3.49Å; W586-L834 HydrophobicContact CZ2-CD1 4.32Å; W586-L837 HydrophobicContact CB-CD1 4.3Å; W586-L837 HydrophobicContact CD2-CD1 3.47Å; W586-L837 VanDerWaalsContact CD2-CD1 3.47Å; W586-L837 HydrophobicContact CD2-CG 4.16Å; W586-L837 HydrophobicContact CE3-CD1 3.61Å; W586-L837 HydrophobicContact CG-CD1 3.78Å; W586-L837 HydrophobicContact CG-CG 4.16Å; W586-L837 HydrophobicContact CH2-CD1 4.44Å; W586-L837 HydrophobicContact CZ2-CD1 4.35Å; W586-L837 HydrophobicContact CZ3-CD1 4.08Å; W586-I840 HydrophobicContact CH2-CD1 4.18Å; W586-V855 HydrophobicContact CE3-CB 4.17Å; W586-V855 HydrophobicContact CE3-CG1 3.84Å; W586-V855 HydrophobicContact CE3-CG2 4.15Å; W586-V855 HydrophobicContact CH2-CB 4.12Å; W586-V855 HydrophobicContact CH2-CG1 3.69Å; W586-V855 HydrophobicContact CZ2-CG1 4.41Å; W586-V855 HydrophobicContact CZ3-CB 3.52Å; W586-V855 HydrophobicContact CZ3-CG1 3.37Å; W586-V855 HydrophobicContact CZ3-CG2 3.92Å; W586-I856 HydrophobicContact CH2-CD1 4.09Å |
| 587 | G | 93.7 | Very high | 90.8 | Very high | 6 Ų | 6 | 24.8 Ų | 24.8 | 6% | 0.062 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.4 | -48.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | V583 F584 E585 V589 M590 E591 | V583-G587 PolarHBondContact O-N 2.98Å; F584-G587 PolarHBondContact O-N 3.08Å; E585-G587 VanDerWaalsContact C-N 3.3Å; E585-G587 PolarHBondContact O-N 2.98Å; G587-V589 PolarHBondContact O-N 3.09Å; G587-M590 PolarHBondContact O-N 3.49Å; G587-E591 PolarHBondContact O-N 3.47Å |
| 588 | K | 92.3 | Very high | 90.6 | Very high | 65 Ų | 65 | 23.9 Ų | 23.9 | 28% | 0.283 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -60.2 | -44.5 | 176.2 | -69.2 | 175.5 | -174.5 | 168.8 | 0 | 112.2 | F584 E585 E591 S592 A800 | F584-K588 HydrophobicContact CE1-CD 4.4Å; F584-K588 VanDerWaalsContact CZ-CE 3.49Å; F584-K588 PolarHBondContact O-N 3.11Å; E585-K588 PolarHBondContact O-N 3.38Å; E585-K588 IonicContact OE1-NZ 3.1Å; E585-K588 PolarHBondContact OE1-NZ 3.28Å; E585-K588 IonicContact OE2-NZ 3.31Å; K588-E591 PolarHBondContact O-N 3.2Å; K588-S592 PolarHBondContact O-N 3.12Å; K588-S592 VanDerWaalsContact O-N 3.08Å; K588-S592 PolarHBondContact O-OG 3.07Å; K588-A800 HydrophobicContact CB-CB 4.03Å |
| 589 | V | 92.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.5 | -42.8 | 178.7 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | L549 V550 V553 E585 W586 G587 E591 S592 I593 I833 | L549-V589 HydrophobicContact CB-CB 4.45Å; L549-V589 HydrophobicContact CB-CG1 4.32Å; L549-V589 HydrophobicContact CB-CG2 3.94Å; V550-V589 HydrophobicContact CG2-CG2 3.92Å; V553-V589 HydrophobicContact CG2-CG1 4.02Å; E585-V589 WeakPolarHBondContact O-CB 3.27Å; E585-V589 WeakPolarHBondContact O-CG2 3.42Å; E585-V589 PolarHBondContact O-N 3.49Å; W586-V589 PolarHBondContact O-N 3.01Å; G587-V589 PolarHBondContact O-N 3.09Å; V589-E591 PolarHBondContact O-N 3.05Å; V589-S592 PolarHBondContact O-N 3.39Å; V589-I593 HydrophobicContact CG1-CD1 3.59Å; V589-I593 HydrophobicContact CG1-CG1 4.16Å; V589-I593 VanDerWaalsContact O-CG1 3.24Å; V589-I593 WeakPolarHBondContact O-CG1 3.33Å; V589-I593 PolarHBondContact O-N 2.93Å; V589-I833 HydrophobicContact CG1-CG2 4.32Å |
| 590 | M | 92.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.2 | -41.1 | 176.1 | -79 | -53.9 | -54.9 | 0 | 0 | 112.6 | W586 G587 T594 W830 I833 L834 V855 V859 | W586-M590 HydrophobicContact CD2-CG 4.21Å; W586-M590 HydrophobicContact CG-CG 4.39Å; W586-M590 HydrophobicContact CZ2-CG 4.1Å; W586-M590 WeakPolarHBondContact O-CB 3Å; W586-M590 WeakPolarHBondContact O-CG 3.26Å; W586-M590 PolarHBondContact O-N 3.33Å; G587-M590 PolarHBondContact O-N 3.49Å; M590-T594 VanDerWaalsContact O-CB 3.28Å; M590-T594 WeakPolarHBondContact O-CB 3.37Å; M590-T594 PolarHBondContact O-N 3.23Å; M590-T594 PolarHBondContact O-OG1 3.41Å; M590-W830 HydrophobicContact CE-CG 4.46Å; M590-W830 HydrophobicContact CE-CZ2 4.47Å; M590-I833 HydrophobicContact CG-CG2 4.38Å; M590-I833 HydrophobicContact SD-CB 3.99Å; M590-I833 HydrophobicContact SD-CG2 3.59Å; M590-I833 VanDerWaalsContact SD-CG2 3.59Å; M590-L834 HydrophobicContact CE-CB 3.79Å; M590-L834 HydrophobicContact CE-CD1 3.85Å; M590-L834 HydrophobicContact CE-CG 4.39Å; M590-L834 HydrophobicContact SD-CB 4.22Å; M590-L834 PolarHBondContact SD-N 3.16Å; M590-V855 HydrophobicContact CB-CG1 4.34Å; M590-V859 HydrophobicContact CB-CG2 4.01Å; M590-V859 HydrophobicContact CE-CG2 4.27Å |
| 591 | E | 91.3 | Very high | 89.6 | Confident | 53 Ų | 53 | 24.1 Ų | 24.1 | 25% | 0.248 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -57.8 | -51.8 | 173.5 | -169.7 | -170 | 161.2 | 0 | 0 | 110.9 | G587 K588 V589 T594 R595 L858 L862 | G587-E591 PolarHBondContact O-N 3.47Å; K588-E591 PolarHBondContact O-N 3.2Å; V589-E591 PolarHBondContact O-N 3.05Å; E591-T594 PolarHBondContact O-N 3.5Å; E591-R595 WeakPolarHBondContact O-CG 3.34Å; E591-R595 PolarHBondContact O-N 3.5Å; E591-R595 IonicContact OE1-CZ 2.92Å; E591-R595 VanDerWaalsContact OE1-CZ 3.28Å; E591-R595 IonicContact OE1-NE 3.86Å; E591-R595 PolarHBondContact OE1-NE 3.35Å; E591-R595 IonicContact OE1-NH2 2.99Å; E591-R595 PolarHBondContact OE1-NH2 3.19Å; E591-L858 HydrophobicContact CB-CD2 3.88Å; E591-L858 HydrophobicContact CG-CD2 3.79Å; E591-L858 HydrophobicContact CG-CG 4.31Å; E591-L862 HydrophobicContact CG-CD1 3.95Å |
| 592 | S | 88.3 | Confident | 89.1 | Confident | 5 Ų | 5 | 24.7 Ų | 24.7 | 4% | 0.035 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.4 | -44.4 | -177.9 | -66 | 0 | 0 | 0 | 0 | 113.4 | K588 V589 T594 R595 A596 A800 | K588-S592 PolarHBondContact O-N 3.12Å; K588-S592 VanDerWaalsContact O-N 3.08Å; K588-S592 PolarHBondContact O-OG 3.07Å; V589-S592 PolarHBondContact O-N 3.39Å; S592-T594 VanDerWaalsContact C-N 3.31Å; S592-T594 PolarHBondContact O-N 2.97Å; S592-R595 PolarHBondContact O-N 3.49Å; S592-A596 PolarHBondContact O-N 2.87Å; S592-A800 WeakPolarHBondContact CB-O 3.45Å; S592-A800 VanDerWaalsContact OG-C 3.23Å; S592-A800 PolarHBondContact OG-O 3.31Å |
| 593 | I | 90.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.2 | -38.5 | 176.3 | -58.6 | 165.5 | 0 | 0 | 0 | 110 | V553 V589 R595 A596 L597 M803 L826 W830 I833 | V553-I593 HydrophobicContact CG1-CD1 4.31Å; V553-I593 HydrophobicContact CG1-CG1 4.19Å; V553-I593 HydrophobicContact CG2-CD1 3.45Å; V553-I593 VanDerWaalsContact CG2-CD1 3.45Å; V553-I593 HydrophobicContact CG2-CG1 4.11Å; V589-I593 HydrophobicContact CG1-CD1 3.59Å; V589-I593 HydrophobicContact CG1-CG1 4.16Å; V589-I593 VanDerWaalsContact O-CG1 3.24Å; V589-I593 WeakPolarHBondContact O-CG1 3.33Å; V589-I593 PolarHBondContact O-N 2.93Å; I593-R595 VanDerWaalsContact C-N 3.32Å; I593-R595 PolarHBondContact O-N 3.49Å; I593-A596 PolarHBondContact O-N 3.39Å; I593-L597 WeakPolarHBondContact O-CB 3.32Å; I593-L597 PolarHBondContact O-N 3.3Å; I593-M803 HydrophobicContact CG1-SD 4.04Å; I593-L826 HydrophobicContact CG2-CD1 3.99Å; I593-W830 HydrophobicContact CG2-CB 3.81Å; I593-W830 HydrophobicContact CG2-CG 4.21Å; I593-I833 HydrophobicContact CD1-CB 4.26Å; I593-I833 HydrophobicContact CD1-CG1 4.19Å; I593-I833 HydrophobicContact CD1-CG2 4.19Å |
| 594 | T | 91.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.9 | -35.7 | 178.3 | -52.7 | 0 | 0 | 0 | 0 | 111.6 | M590 E591 S592 L597 A598 W830 L862 L863 | M590-T594 VanDerWaalsContact O-CB 3.28Å; M590-T594 WeakPolarHBondContact O-CB 3.37Å; M590-T594 PolarHBondContact O-N 3.23Å; M590-T594 PolarHBondContact O-OG1 3.41Å; E591-T594 PolarHBondContact O-N 3.5Å; S592-T594 VanDerWaalsContact C-N 3.31Å; S592-T594 PolarHBondContact O-N 2.97Å; T594-L597 WeakPolarHBondContact O-CB 3.46Å; T594-L597 PolarHBondContact O-N 3.44Å; T594-A598 PolarHBondContact O-N 3.29Å; T594-W830 PolarHBondContact OG1-NE1 3.43Å; T594-L862 HydrophobicContact CG2-CB 3.71Å; T594-L862 HydrophobicContact CG2-CD1 4.06Å; T594-L863 HydrophobicContact CG2-CD2 4.12Å; T594-L863 HydrophobicContact CG2-CG 4.41Å |
| 595 | R | 87.7 | Confident | 86.9 | Confident | 80 Ų | 80 | 27 Ų | 27 | 30% | 0.302 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -67.4 | -41.4 | 171.5 | -70.3 | 176.4 | -176 | -101.9 | 6.6 | 112.3 | E591 S592 I593 L597 A598 L599 L606 P804 L862 | E591-R595 WeakPolarHBondContact O-CG 3.34Å; E591-R595 PolarHBondContact O-N 3.5Å; E591-R595 IonicContact OE1-CZ 2.92Å; E591-R595 VanDerWaalsContact OE1-CZ 3.28Å; E591-R595 IonicContact OE1-NE 3.86Å; E591-R595 PolarHBondContact OE1-NE 3.35Å; E591-R595 IonicContact OE1-NH2 2.99Å; E591-R595 PolarHBondContact OE1-NH2 3.19Å; S592-R595 PolarHBondContact O-N 3.49Å; I593-R595 VanDerWaalsContact C-N 3.32Å; I593-R595 PolarHBondContact O-N 3.49Å; R595-L597 VanDerWaalsContact C-N 3.31Å; R595-L597 PolarHBondContact O-N 2.95Å; R595-A598 VanDerWaalsContact O-CB 3.29Å; R595-A598 WeakPolarHBondContact O-CB 3.39Å; R595-A598 PolarHBondContact O-N 3.48Å; R595-L599 PolarHBondContact O-N 3.46Å; R595-L606 HydrophobicContact CG-CD1 4.4Å; R595-P804 HydrophobicContact CB-CG 4.14Å; R595-L862 HydrophobicContact CG-CD1 4.45Å |
| 596 | A | 85.7 | Confident | 85.9 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.4 | -40.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S592 I593 A598 L599 E600 P804 I807 L826 | S592-A596 PolarHBondContact O-N 2.87Å; I593-A596 PolarHBondContact O-N 3.39Å; A596-A598 VanDerWaalsContact C-N 3.31Å; A596-A598 PolarHBondContact O-N 2.89Å; A596-L599 PolarHBondContact O-N 3.06Å; A596-E600 WeakPolarHBondContact O-CB 3.37Å; A596-E600 WeakPolarHBondContact O-CG 3.45Å; A596-E600 PolarHBondContact O-N 3.24Å; A596-P804 HydrophobicContact CB-CB 4.25Å; A596-I807 HydrophobicContact CB-CB 4.31Å; A596-I807 HydrophobicContact CB-CD1 3.83Å; A596-I807 HydrophobicContact CB-CG2 4.25Å; A596-L826 HydrophobicContact CB-CD2 4.21Å |
| 597 | L | 87.3 | Confident | 84.7 | Confident | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60 | -40.9 | 175.3 | -167.1 | 79.3 | 0 | 0 | 0 | 111.4 | I593 T594 R595 L599 V601 Y602 L826 W830 L863 | I593-L597 WeakPolarHBondContact O-CB 3.32Å; I593-L597 PolarHBondContact O-N 3.3Å; T594-L597 WeakPolarHBondContact O-CB 3.46Å; T594-L597 PolarHBondContact O-N 3.44Å; R595-L597 VanDerWaalsContact C-N 3.31Å; R595-L597 PolarHBondContact O-N 2.95Å; L597-L599 PolarHBondContact O-N 3.35Å; L597-V601 HydrophobicContact CD1-CB 4.14Å; L597-V601 HydrophobicContact CD1-CG2 3.59Å; L597-V601 HydrophobicContact CG-CB 4.37Å; L597-V601 HydrophobicContact CG-CG2 4.29Å; L597-V601 WeakPolarHBondContact O-CB 3.38Å; L597-V601 PolarHBondContact O-N 3.09Å; L597-Y602 HydrophobicContact CD2-CE2 3.86Å; L597-Y602 HydrophobicContact CG-CD2 4.31Å; L597-Y602 HydrophobicContact CG-CE2 3.84Å; L597-Y602 WeakPolarHBondContact O-CD2 3.41Å; L597-Y602 PolarHBondContact O-N 3.28Å; L597-L826 HydrophobicContact CD1-CD2 4.38Å; L597-L826 HydrophobicContact CD1-CG 4.18Å; L597-W830 HydrophobicContact CD2-CD2 4.32Å; L597-W830 HydrophobicContact CD2-CG 4.25Å; L597-L863 HydrophobicContact CD2-CD2 4.49Å |
| 598 | A | 86 | Confident | 82.9 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.2 | -48 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | T594 R595 A596 Y602 S603 V604 L606 I866 | T594-A598 PolarHBondContact O-N 3.29Å; R595-A598 VanDerWaalsContact O-CB 3.29Å; R595-A598 WeakPolarHBondContact O-CB 3.39Å; R595-A598 PolarHBondContact O-N 3.48Å; A596-A598 VanDerWaalsContact C-N 3.31Å; A596-A598 PolarHBondContact O-N 2.89Å; A598-Y602 CarbonylContact O-C 3.6Å; A598-Y602 WeakPolarHBondContact O-CA 3.49Å; A598-Y602 WeakPolarHBondContact O-CB 3.18Å; A598-Y602 PolarHBondContact O-N 2.87Å; A598-S603 PolarHBondContact O-N 3.46Å; A598-V604 CarbonylContact C-O 3.48Å; A598-V604 VanDerWaalsContact C-O 3.26Å; A598-V604 WeakPolarHBondContact CB-O 3.3Å; A598-V604 PolarHBondContact O-N 2.97Å; A598-L606 HydrophobicContact CB-CD1 3.63Å; A598-L606 HydrophobicContact CB-CG 3.8Å; A598-I866 HydrophobicContact CB-CD1 3.5Å; A598-I866 HydrophobicContact CB-CG1 3.53Å |
| 599 | L | 82.2 | Confident | 81.3 | Confident | 67 Ų | 67 | 35.6 Ų | 35.6 | 35% | 0.351 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -74.8 | -52.5 | -176.5 | -171.8 | 68.5 | 0 | 0 | 0 | 111.8 | R595 A596 L597 S603 V604 D605 A808 | R595-L599 PolarHBondContact O-N 3.46Å; A596-L599 PolarHBondContact O-N 3.06Å; L597-L599 PolarHBondContact O-N 3.35Å; L599-S603 WeakPolarHBondContact O-CA 3.35Å; L599-S603 PolarHBondContact O-N 3.06Å; L599-S603 VanDerWaalsContact O-N 3.1Å; L599-V604 PolarHBondContact N-O 3.32Å; L599-D605 HydrophobicContact CD1-CB 4.34Å; L599-A808 HydrophobicContact CD2-CB 4.11Å |
| 600 | E | 80.6 | Confident | 79.4 | Confident | 47 Ų | 47 | 37.6 Ų | 37.6 | 22% | 0.22 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -79.4 | -37.1 | -169.8 | -64.6 | -56.6 | 127.6 | 0 | 0 | 113.6 | A596 I807 A808 S811 L826 | A596-E600 WeakPolarHBondContact O-CB 3.37Å; A596-E600 WeakPolarHBondContact O-CG 3.45Å; A596-E600 PolarHBondContact O-N 3.24Å; E600-I807 HydrophobicContact CG-CG2 4.35Å; E600-A808 VanDerWaalsContact OE1-CA 3.22Å; E600-A808 WeakPolarHBondContact OE1-CA 3.37Å; E600-A808 WeakPolarHBondContact OE1-CB 3.35Å; E600-S811 WeakPolarHBondContact OE2-CB 3.41Å; E600-S811 PolarHBondContact OE2-OG 3.23Å; E600-L826 HydrophobicContact CB-CD2 4.06Å; E600-L826 HydrophobicContact CG-CD2 4.37Å |
| 601 | V | 82.7 | Confident | 77.4 | Confident | 28 Ų | 28 | 39.3 Ų | 39.3 | 17% | 0.17 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -36.9 | -175.9 | -178.2 | 0 | 0 | 0 | 0 | 111.5 | L597 P823 L826 L876 | L597-V601 HydrophobicContact CD1-CB 4.14Å; L597-V601 HydrophobicContact CD1-CG2 3.59Å; L597-V601 HydrophobicContact CG-CB 4.37Å; L597-V601 HydrophobicContact CG-CG2 4.29Å; L597-V601 WeakPolarHBondContact O-CB 3.38Å; L597-V601 PolarHBondContact O-N 3.09Å; V601-P823 HydrophobicContact CG2-CB 3.9Å; V601-L826 HydrophobicContact CG2-CD2 4.43Å; V601-L876 HydrophobicContact CG1-CD1 4.03Å |
| 602 | Y | 81.6 | Confident | 75.5 | Confident | 30 Ų | 30 | 44.3 Ų | 44.3 | 12% | 0.118 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -6.4 | -174.8 | -58.7 | -71.4 | 0 | 0 | 0 | 114.3 | L597 A598 V604 I866 L876 P878 | L597-Y602 HydrophobicContact CD2-CE2 3.86Å; L597-Y602 HydrophobicContact CG-CD2 4.31Å; L597-Y602 HydrophobicContact CG-CE2 3.84Å; L597-Y602 WeakPolarHBondContact O-CD2 3.41Å; L597-Y602 PolarHBondContact O-N 3.28Å; A598-Y602 CarbonylContact O-C 3.6Å; A598-Y602 WeakPolarHBondContact O-CA 3.49Å; A598-Y602 WeakPolarHBondContact O-CB 3.18Å; A598-Y602 PolarHBondContact O-N 2.87Å; Y602-V604 PolarHBondContact O-N 3.37Å; Y602-I866 HydrophobicContact CD1-CG2 4.25Å; Y602-I866 HydrophobicContact CD2-CD1 4.25Å; Y602-I866 HydrophobicContact CD2-CG2 3.62Å; Y602-I866 HydrophobicContact CE2-CG2 4.37Å; Y602-I866 HydrophobicContact CG-CG2 3.53Å; Y602-L876 HydrophobicContact CD1-CB 4.11Å; Y602-L876 HydrophobicContact CE1-CB 3.83Å; Y602-P878 HydrophobicContact CD1-CG 4.29Å; Y602-P878 HydrophobicContact CE1-CG 3.89Å; Y602-P878 HydrophobicContact CE2-CG 4.24Å; Y602-P878 WeakPolarHBondContact OH-CA 3.43Å |
| 603 | S | 77.9 | Confident | 73.6 | Confident | 106 Ų | 106 | 46.6 Ų | 46.6 | 74% | 0.741 | 24% | 0.242 | S | C | * | . | trans | 54.5 | 33.2 | -176.9 | -51.5 | 0 | 0 | 0 | 0 | 113.4 | A598 L599 | A598-S603 PolarHBondContact O-N 3.46Å; L599-S603 WeakPolarHBondContact O-CA 3.35Å; L599-S603 PolarHBondContact O-N 3.06Å; L599-S603 VanDerWaalsContact O-N 3.1Å | ||
| 604 | V | 76.4 | Confident | 71.3 | Confident | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | trans | -111.3 | 114.2 | 176.9 | 177.9 | 0 | 0 | 0 | 0 | 109.2 | A598 L599 Y602 L606 I866 N869 Q870 | A598-V604 CarbonylContact C-O 3.48Å; A598-V604 VanDerWaalsContact C-O 3.26Å; A598-V604 WeakPolarHBondContact CB-O 3.3Å; A598-V604 PolarHBondContact O-N 2.97Å; L599-V604 PolarHBondContact N-O 3.32Å; Y602-V604 PolarHBondContact O-N 3.37Å; V604-L606 HydrophobicContact CG1-CD2 4.06Å; V604-L606 PolarHBondContact O-N 2.95Å; V604-I866 HydrophobicContact CB-CG2 4.49Å; V604-I866 HydrophobicContact CG2-CG2 4.3Å; V604-N869 HydrophobicContact CG1-CB 3.67Å; V604-N869 HydrophobicContact CG2-CB 4.33Å; V604-Q870 HydrophobicContact CG2-CG 4.11Å | ||
| 605 | D | 76.7 | Confident | 68.6 | Low | 68 Ų | 68 | 56 Ų | 56 | 36% | 0.364 | 30% | 0.296 | S | S | . | . | trans | -80.4 | 113.6 | 168 | -171.1 | -5.3 | 0 | 0 | 0 | 110 | L599 L607 D608 | L599-D605 HydrophobicContact CD1-CB 4.34Å; D605-L607 VanDerWaalsContact C-N 3.31Å; D605-L607 WeakPolarHBondContact OD1-CB 3.33Å; D605-L607 PolarHBondContact OD1-N 3.29Å; D605-D608 CarbonylContact O-C 3.54Å | ||
| 606 | L | 71.5 | Confident | 66.3 | Low | 29 Ų | 29 | 60.1 Ų | 60.1 | 15% | 0.152 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -79.6 | -11.5 | 178.3 | -66.2 | 176.3 | 0 | 0 | 0 | 113.3 | R595 A598 V604 L862 K865 I866 | R595-L606 HydrophobicContact CG-CD1 4.4Å; A598-L606 HydrophobicContact CB-CD1 3.63Å; A598-L606 HydrophobicContact CB-CG 3.8Å; V604-L606 HydrophobicContact CG1-CD2 4.06Å; V604-L606 PolarHBondContact O-N 2.95Å; L606-L862 HydrophobicContact CD1-CB 4.48Å; L606-L862 HydrophobicContact CD1-CD2 3.92Å; L606-K865 HydrophobicContact CD2-CB 3.94Å; L606-I866 HydrophobicContact CD1-CG1 4.12Å; L606-I866 HydrophobicContact CD2-CG1 4.1Å; L606-I866 HydrophobicContact CG-CG1 4.42Å |
| 607 | L | 69.7 | Low | 64.2 | Low | 138 Ų | 138 | 65.3 Ų | 65.3 | 72% | 0.723 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -85.5 | -20.7 | 172.8 | -65.2 | 171 | 0 | 0 | 0 | 112.1 | D605 | D605-L607 VanDerWaalsContact C-N 3.31Å; D605-L607 WeakPolarHBondContact OD1-CB 3.33Å; D605-L607 PolarHBondContact OD1-N 3.29Å |
| 608 | D | 56.8 | Low | 61.8 | Low | 66 Ų | 66 | 69.6 Ų | 69.6 | 35% | 0.353 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -137.1 | 64 | 176.5 | -173.9 | 8 | 0 | 0 | 0 | 111.8 | D605 R613 | D605-D608 CarbonylContact O-C 3.54Å; D608-R613 PolarHBondContact O-NH2 2.88Å; D608-R613 IonicContact OD1-CZ 3.09Å; D608-R613 IonicContact OD1-NE 3.83Å; D608-R613 PolarHBondContact OD1-NE 3.17Å; D608-R613 IonicContact OD1-NH2 2.98Å; D608-R613 PolarHBondContact OD1-NH2 3.31Å; D608-R613 IonicContact OD2-CZ 3.85Å; D608-R613 IonicContact OD2-NE 3.39Å; D608-R613 PolarHBondContact OD2-NE 3.35Å; D608-R613 IonicContact OD2-NH2 3.81Å; D608-R613 PolarHBondContact OD2-NH2 3.44Å |
| 609 | P | 59.7 | Low | 59.7 | Low | 19 Ų | 19 | 75 Ų | 75 | 12% | 0.123 | 39% | 0.387 | C | S | . | . | trans | -64 | 124.6 | -171.9 | 23.6 | -31.6 | 0 | 0 | 0 | 111.4 | L611 E612 | P609-L611 PolarHBondContact O-N 2.91Å; P609-E612 HydrophobicContact CG-CB 4.24Å; P609-E612 HydrophobicContact CG-CG 4.18Å; P609-E612 WeakPolarHBondContact CG-OE2 3.24Å; P609-E612 PolarHBondContact O-N 3.02Å; P609-E612 VanDerWaalsContact O-N 3.12Å | ||
| 610 | P | 51.9 | Low | 58.2 | Low | 42 Ų | 42 | 79.4 Ų | 79.4 | 27% | 0.273 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -22.4 | -172.4 | 20.6 | -31.7 | 0 | 0 | 0 | 114.1 | R618 N869 | P610-R618 PolarHBondContact O-NE 3.2Å; P610-R618 PolarHBondContact O-NH2 3.17Å; P610-N869 WeakPolarHBondContact CD-OD1 3.36Å; P610-N869 HydrophobicContact CG-CB 4.23Å |
| 611 | L | 50.9 | Low | 56.4 | Low | 35 Ų | 35 | 81.9 Ų | 81.9 | 18% | 0.183 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -21.8 | 179.2 | -76.2 | 173.1 | 0 | 0 | 0 | 114.5 | P609 N868 N869 R1563 | P609-L611 PolarHBondContact O-N 2.91Å; L611-N868 WeakPolarHBondContact CD1-O 3.45Å; L611-N869 WeakPolarHBondContact CB-OD1 3.47Å; L611-N869 PolarHBondContact N-OD1 3.48Å; L611-R1563 PolarHBondContact O-NH1 3Å |
| 612 | E | 50.4 | Low | 54.4 | Low | 158 Ų | 158 | 88.3 Ų | 88.3 | 74% | 0.738 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -9.4 | 178.8 | -69.8 | 179.9 | 177.8 | 0 | 0 | 112.6 | P609 | P609-E612 HydrophobicContact CG-CB 4.24Å; P609-E612 HydrophobicContact CG-CG 4.18Å; P609-E612 WeakPolarHBondContact CG-OE2 3.24Å; P609-E612 PolarHBondContact O-N 3.02Å; P609-E612 VanDerWaalsContact O-N 3.12Å |
| 613 | R | 47.4 | Very low | 53 | Low | 54 Ų | 54 | 91.5 Ų | 91.5 | 20% | 0.204 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -71.9 | 131.7 | -178.4 | -62.5 | -173.4 | -168.7 | 161.7 | 9.9 | 112.9 | D608 Q621 | D608-R613 PolarHBondContact O-NH2 2.88Å; D608-R613 IonicContact OD1-CZ 3.09Å; D608-R613 IonicContact OD1-NE 3.83Å; D608-R613 PolarHBondContact OD1-NE 3.17Å; D608-R613 IonicContact OD1-NH2 2.98Å; D608-R613 PolarHBondContact OD1-NH2 3.31Å; D608-R613 IonicContact OD2-CZ 3.85Å; D608-R613 IonicContact OD2-NE 3.39Å; D608-R613 PolarHBondContact OD2-NE 3.35Å; D608-R613 IonicContact OD2-NH2 3.81Å; D608-R613 PolarHBondContact OD2-NH2 3.44Å; R613-Q621 VanDerWaalsContact NH1-OE1 3.15Å |
| 614 | P | 42.2 | Very low | 51.8 | Low | 103 Ų | 103 | 88.7 Ų | 88.7 | 67% | 0.669 | 44% | 0.44 | S | S | * | . | trans | -59.9 | 135.6 | 161.9 | -19.3 | 31.3 | 0 | 0 | 0 | 110.8 | E616 H617 | P614-E616 PolarHBondContact O-N 3.14Å; P614-H617 PolarHBondContact O-N 3.23Å | ||
| 615 | M | 35.8 | Very low | 50.2 | Low | 94 Ų | 94 | 93.3 Ų | 93.3 | 46% | 0.463 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.3 | -28.4 | -169.7 | -81.1 | -96.6 | -80.5 | 0 | 0 | 116.1 | H617 R618 | M615-H617 VanDerWaalsContact C-N 3.25Å; M615-H617 PolarHBondContact O-N 2.76Å; M615-R618 PolarHBondContact O-N 2.97Å |
| 616 | E | 37.9 | Very low | 48.5 | Very low | 167 Ų | 167 | 92.5 Ų | 92.5 | 78% | 0.78 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -59.7 | -31.2 | -177.3 | -68.8 | -167.6 | 151.7 | 0 | 0 | 113.9 | P614 | P614-E616 PolarHBondContact O-N 3.14Å |
| 617 | H | 42.7 | Very low | 47.4 | Very low | 108 Ų | 108 | 99.7 Ų | 99.7 | 50% | 0.5 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -76.4 | -30.9 | -177.1 | -138.9 | -103.4 | 0 | 0 | 0 | 112.7 | P614 M615 L619 Q621 | P614-H617 PolarHBondContact O-N 3.23Å; M615-H617 VanDerWaalsContact C-N 3.25Å; M615-H617 PolarHBondContact O-N 2.76Å; H617-L619 PolarHBondContact O-N 2.86Å; H617-Q621 PolarHBondContact O-N 2.94Å |
| 618 | R | 36 | Very low | 46.2 | Very low | 94 Ų | 94 | 99.4 Ų | 99.4 | 36% | 0.355 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.7 | -37.6 | -178.9 | -72.9 | -179 | 173.8 | -165.6 | -5.1 | 112.4 | P610 M615 K622 | P610-R618 PolarHBondContact O-NE 3.2Å; P610-R618 PolarHBondContact O-NH2 3.17Å; M615-R618 PolarHBondContact O-N 2.97Å; R618-K622 PolarHBondContact O-N 3.11Å; R618-K622 VanDerWaalsContact O-N 3.08Å |
| 619 | L | 43.7 | Very low | 45.4 | Very low | 116 Ų | 116 | 101.1 Ų | 101.1 | 61% | 0.607 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -75 | -40.9 | -175.7 | -156.8 | 78.9 | 0 | 0 | 0 | 112.3 | H617 K622 Q623 | H617-L619 PolarHBondContact O-N 2.86Å; L619-K622 PolarHBondContact O-N 2.76Å; L619-Q623 WeakPolarHBondContact O-CB 3.32Å; L619-Q623 WeakPolarHBondContact O-CG 3.49Å; L619-Q623 PolarHBondContact O-N 3.43Å |
| 620 | K | 49.1 | Very low | 44.4 | Very low | 159 Ų | 159 | 107.8 Ų | 107.8 | 69% | 0.691 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.7 | -41.1 | 177.2 | -76.5 | -179.1 | 179.5 | 171.4 | 0 | 111.6 | Q623 A624 | K620-Q623 PolarHBondContact O-N 3.47Å; K620-A624 WeakPolarHBondContact O-CB 3.22Å; K620-A624 PolarHBondContact O-N 3.23Å |
| 621 | Q | 43.2 | Very low | 44 | Very low | 99 Ų | 99 | 113.3 Ų | 113.3 | 46% | 0.463 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -71.2 | -41.9 | 177 | -106.9 | -178.3 | 2.2 | 0 | 0 | 112.7 | R613 H617 Q623 A624 L625 | R613-Q621 VanDerWaalsContact NH1-OE1 3.15Å; H617-Q621 PolarHBondContact O-N 2.94Å; Q621-Q623 VanDerWaalsContact C-N 3.27Å; Q621-Q623 PolarHBondContact O-N 3.23Å; Q621-A624 PolarHBondContact O-N 3.3Å; Q621-A624 VanDerWaalsContact O-N 3.1Å; Q621-L625 WeakPolarHBondContact O-CB 3.36Å; Q621-L625 PolarHBondContact O-N 2.63Å |
| 622 | K | 41.9 | Very low | 43.3 | Very low | 162 Ų | 162 | 115.5 Ų | 115.5 | 70% | 0.704 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -59.2 | -38.8 | 173.5 | -84.6 | -171.6 | 175.9 | -177.1 | 0 | 112 | R618 L619 A626 | R618-K622 PolarHBondContact O-N 3.11Å; R618-K622 VanDerWaalsContact O-N 3.08Å; L619-K622 PolarHBondContact O-N 2.76Å; K622-A626 WeakPolarHBondContact O-CB 3.4Å; K622-A626 PolarHBondContact O-N 3.12Å |
| 623 | Q | 51.8 | Low | 42.7 | Very low | 98 Ų | 98 | 113.7 Ų | 113.7 | 46% | 0.458 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -69.6 | -35.5 | 174.4 | -72.3 | -179.8 | -0.3 | 0 | 0 | 112.7 | L619 K620 Q621 R627 | L619-Q623 WeakPolarHBondContact O-CB 3.32Å; L619-Q623 WeakPolarHBondContact O-CG 3.49Å; L619-Q623 PolarHBondContact O-N 3.43Å; K620-Q623 PolarHBondContact O-N 3.47Å; Q621-Q623 VanDerWaalsContact C-N 3.27Å; Q621-Q623 PolarHBondContact O-N 3.23Å; Q623-R627 WeakPolarHBondContact O-CB 3.33Å; Q623-R627 WeakPolarHBondContact O-CG 3.14Å; Q623-R627 PolarHBondContact O-N 3.33Å |
| 624 | A | 52.1 | Low | 42.2 | Very low | 47 Ų | 47 | 116.1 Ų | 116.1 | 39% | 0.388 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68.5 | -45 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | K620 Q621 R627 Q628 | K620-A624 WeakPolarHBondContact O-CB 3.22Å; K620-A624 PolarHBondContact O-N 3.23Å; Q621-A624 PolarHBondContact O-N 3.3Å; Q621-A624 VanDerWaalsContact O-N 3.1Å; A624-R627 WeakPolarHBondContact O-CB 2.92Å; A624-R627 PolarHBondContact O-N 2.97Å; A624-Q628 PolarHBondContact O-N 3.07Å |
| 625 | L | 42 | Very low | 41.6 | Very low | 104 Ų | 104 | 119.2 Ų | 119.2 | 55% | 0.545 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67 | -41 | 177.5 | -155.6 | 90.8 | 0 | 0 | 0 | 111 | Q621 R627 Q628 L629 | Q621-L625 WeakPolarHBondContact O-CB 3.36Å; Q621-L625 PolarHBondContact O-N 2.63Å; L625-R627 VanDerWaalsContact C-N 3.3Å; L625-R627 PolarHBondContact O-N 3.2Å; L625-Q628 PolarHBondContact O-N 2.93Å; L625-L629 HydrophobicContact CD2-CD1 4.27Å; L625-L629 HydrophobicContact CG-CD1 4.44Å; L625-L629 WeakPolarHBondContact O-CB 3.14Å; L625-L629 WeakPolarHBondContact O-CG 3.49Å; L625-L629 PolarHBondContact O-N 3.11Å |
| 626 | A | 41 | Very low | 41.3 | Very low | 51 Ų | 51 | 123.3 Ų | 123.3 | 42% | 0.421 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -62.7 | -36.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | K622 F630 | K622-A626 WeakPolarHBondContact O-CB 3.4Å; K622-A626 PolarHBondContact O-N 3.12Å; A626-F630 WeakPolarHBondContact O-CB 3.39Å; A626-F630 PolarHBondContact O-N 3Å |
| 627 | R | 49.3 | Very low | 40.9 | Very low | 179 Ų | 179 | 121.1 Ų | 121.1 | 68% | 0.675 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -69.3 | -34.7 | 172.9 | -76.7 | 172.1 | -176.7 | 159.9 | 3.4 | 112.7 | Q623 A624 L625 K631 | Q623-R627 WeakPolarHBondContact O-CB 3.33Å; Q623-R627 WeakPolarHBondContact O-CG 3.14Å; Q623-R627 PolarHBondContact O-N 3.33Å; A624-R627 WeakPolarHBondContact O-CB 2.92Å; A624-R627 PolarHBondContact O-N 2.97Å; L625-R627 VanDerWaalsContact C-N 3.3Å; L625-R627 PolarHBondContact O-N 3.2Å; R627-K631 PolarHBondContact O-N 3.03Å; R627-K631 VanDerWaalsContact O-N 3.11Å |
| 628 | Q | 45.2 | Very low | 40.1 | Very low | 132 Ų | 132 | 119.4 Ų | 119.4 | 62% | 0.617 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -70.8 | -43.4 | 175 | -83.4 | -178.5 | -39.6 | 0 | 0 | 111.8 | A624 L625 F630 K631 S632 | A624-Q628 PolarHBondContact O-N 3.07Å; L625-Q628 PolarHBondContact O-N 2.93Å; Q628-F630 VanDerWaalsContact C-N 3.35Å; Q628-F630 PolarHBondContact O-N 3.16Å; Q628-K631 WeakPolarHBondContact O-CB 3.49Å; Q628-K631 PolarHBondContact O-N 3.31Å; Q628-K631 VanDerWaalsContact O-N 3.12Å; Q628-S632 PolarHBondContact O-N 3.38Å; Q628-S632 VanDerWaalsContact O-N 3.09Å |
| 629 | L | 38.7 | Very low | 39.6 | Very low | 103 Ų | 103 | 120.8 Ų | 120.8 | 54% | 0.539 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -66.5 | -35.2 | 175.2 | -71.8 | 169.9 | 0 | 0 | 0 | 112.1 | L625 K631 S632 V633 | L625-L629 HydrophobicContact CD2-CD1 4.27Å; L625-L629 HydrophobicContact CG-CD1 4.44Å; L625-L629 WeakPolarHBondContact O-CB 3.14Å; L625-L629 WeakPolarHBondContact O-CG 3.49Å; L625-L629 PolarHBondContact O-N 3.11Å; L629-K631 VanDerWaalsContact C-N 3.31Å; L629-K631 PolarHBondContact O-N 3.22Å; L629-S632 PolarHBondContact O-N 2.84Å; L629-S632 PolarHBondContact O-OG 2.93Å; L629-V633 WeakPolarHBondContact O-CG2 3.33Å; L629-V633 PolarHBondContact O-N 3.4Å |
| 630 | F | 40.1 | Very low | 38.7 | Very low | 158 Ų | 158 | 121 Ų | 121 | 69% | 0.693 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -67 | -32.2 | 171.6 | -111.5 | -86.2 | 0 | 0 | 0 | 112.6 | A626 Q628 T634 | A626-F630 WeakPolarHBondContact O-CB 3.39Å; A626-F630 PolarHBondContact O-N 3Å; Q628-F630 VanDerWaalsContact C-N 3.35Å; Q628-F630 PolarHBondContact O-N 3.16Å; F630-T634 PolarHBondContact O-OG1 2.82Å |
| 631 | K | 43.1 | Very low | 37.5 | Very low | 159 Ų | 159 | 121 Ų | 121 | 69% | 0.691 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -68.5 | -39.2 | 175.2 | -93.6 | -176.5 | 172.7 | -176.6 | 0 | 112.3 | R627 Q628 L629 T634 | R627-K631 PolarHBondContact O-N 3.03Å; R627-K631 VanDerWaalsContact O-N 3.11Å; Q628-K631 WeakPolarHBondContact O-CB 3.49Å; Q628-K631 PolarHBondContact O-N 3.31Å; Q628-K631 VanDerWaalsContact O-N 3.12Å; L629-K631 VanDerWaalsContact C-N 3.31Å; L629-K631 PolarHBondContact O-N 3.22Å; K631-T634 PolarHBondContact O-N 2.89Å; K631-T634 PolarHBondContact O-OG1 2.83Å; K631-T634 VanDerWaalsContact O-OG1 3.13Å |
| 632 | S | 36.6 | Very low | 36.8 | Very low | 80 Ų | 80 | 125.9 Ų | 125.9 | 56% | 0.559 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -71.9 | -28.2 | -179 | 60.4 | 0 | 0 | 0 | 0 | 113.2 | Q628 L629 T634 | Q628-S632 PolarHBondContact O-N 3.38Å; Q628-S632 VanDerWaalsContact O-N 3.09Å; L629-S632 PolarHBondContact O-N 2.84Å; L629-S632 PolarHBondContact O-OG 2.93Å; S632-T634 VanDerWaalsContact C-N 3.35Å |
| 633 | V | 37.8 | Very low | 36 | Very low | 120 Ų | 120 | 122.6 Ų | 122.6 | 73% | 0.727 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -77.1 | -19.7 | 177.5 | 178.2 | 0 | 0 | 0 | 0 | 112.8 | L629 | L629-V633 WeakPolarHBondContact O-CG2 3.33Å; L629-V633 PolarHBondContact O-N 3.4Å |
| 634 | T | 35.5 | Very low | 34.6 | Very low | 105 Ų | 105 | 122.2 Ų | 122.2 | 64% | 0.644 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | 7.4 | -179.5 | 50.4 | 0 | 0 | 0 | 0 | 115.6 | F630 K631 S632 | F630-T634 PolarHBondContact O-OG1 2.82Å; K631-T634 PolarHBondContact O-N 2.89Å; K631-T634 PolarHBondContact O-OG1 2.83Å; K631-T634 VanDerWaalsContact O-OG1 3.13Å; S632-T634 VanDerWaalsContact C-N 3.35Å |
| 635 | Q | 30.8 | Very low | 33.4 | Very low | 169 Ų | 169 | 126.8 Ų | 126.8 | 79% | 0.79 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -115.2 | 30.6 | -178.1 | -86 | -168.1 | -11.7 | 0 | 0 | 115.1 | ||
| 636 | E | 29 | Very low | 32.8 | Very low | 179 Ų | 179 | 127.4 Ų | 127.4 | 84% | 0.836 | 71% | 0.712 | S | S | * | * | trans | -136.9 | 79.6 | 164.8 | -74.3 | -167.5 | 164.7 | 0 | 0 | 111.7 | ||||
| 637 | S | 29.4 | Very low | 31.9 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 85% | 0.853 | 73% | 0.73 | S | S | * | * | trans | -159.8 | 97.8 | 150.3 | -9.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 638 | G | 25.3 | Very low | 30.8 | Very low | 72 Ų | 72 | 130.1 Ų | 130.1 | 74% | 0.742 | 74% | 0.736 | S | S | * | * | trans | -67.6 | 146.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 639 | S | 25.7 | Very low | 30.8 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | trans | 57.8 | 105.9 | 144.2 | 65.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 640 | S | 25.7 | Very low | 30.1 | Very low | 120 Ų | 120 | 130 Ų | 130 | 84% | 0.839 | 76% | 0.756 | S | S | * | * | -160.9 | 119.1 | 119.5 | 63.5 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 641 | I | 23.6 | Very low | 29.3 | Very low | 159 Ų | 159 | 128.3 Ų | 128.3 | 82% | 0.815 | 76% | 0.758 | S | S | * | * | trans | -62.7 | 128.3 | 170.9 | -67.4 | 156.2 | 0 | 0 | 0 | 109.7 | ||||
| 642 | F | 28.7 | Very low | 28.3 | Very low | 202 Ų | 202 | 129.5 Ų | 129.5 | 89% | 0.886 | 76% | 0.764 | S | S | * | * | trans | -164.8 | 148.1 | 134.1 | -104.2 | -74.2 | 0 | 0 | 0 | 111.3 | ||||
| 643 | S | 24.4 | Very low | 27.8 | Very low | 93 Ų | 93 | 132.7 Ų | 132.7 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | trans | -73.8 | 148.5 | -158.7 | 49.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 644 | S | 23.4 | Very low | 27.1 | Very low | 90 Ų | 90 | 133.4 Ų | 133.4 | 63% | 0.629 | 79% | 0.785 | S | S | * | * | trans | 46 | 117 | 135.5 | 68.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 645 | D | 27 | Very low | 26.5 | Very low | 143 Ų | 143 | 136.2 Ų | 136.2 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | 168.9 | 140.5 | 102 | -88.9 | -28.7 | 0 | 0 | 0 | 113.6 | |||||
| 646 | T | 27.7 | Very low | 26.1 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 72% | 0.718 | 79% | 0.789 | S | S | * | * | trans | 63.3 | 112.2 | 148.2 | 46.3 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 647 | E | 23.9 | Very low | 25.9 | Very low | 173 Ų | 173 | 136.1 Ų | 136.1 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | 56.9 | 110.6 | 122.5 | -65.9 | -173.5 | 162.7 | 0 | 0 | 122.5 | |||||
| 648 | S | 25.6 | Very low | 25.6 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | 88.4 | 149.1 | 123.2 | 75.5 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 649 | P | 45.7 | Very low | 25.6 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | trans | -108.4 | 145.9 | -148.1 | 37.8 | -27.6 | 0 | 0 | 0 | 113.8 | ||||
| 650 | S | 24 | Very low | 25.5 | Very low | 111 Ų | 111 | 141.7 Ų | 141.7 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -163.2 | 119.1 | 152.7 | 54.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 651 | T | 22.1 | Very low | 25.5 | Very low | 123 Ų | 123 | 145 Ų | 145 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | 32.9 | 128.9 | 137.3 | 29.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 652 | K | 23.2 | Very low | 25.6 | Very low | 184 Ų | 184 | 144.3 Ų | 144.3 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | trans | 100.2 | 138 | 136.2 | -76.2 | 175.7 | 179.4 | -177.1 | 0 | 118.8 | ||||
| 653 | N | 24.6 | Very low | 25.7 | Very low | 146 Ų | 146 | 140.1 Ų | 140.1 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | trans | 90.8 | 76.2 | 158.1 | -57.9 | -13.9 | 0 | 0 | 0 | 117.3 | Q655 | N653-Q655 PolarHBondContact O-N 2.99Š| ||
| 654 | S | 23.9 | Very low | 25.8 | Very low | 135 Ų | 135 | 143.3 Ų | 143.3 | 94% | 0.944 | 79% | 0.792 | S | S | * | * | trans | -88.7 | 84.9 | 154.9 | -41.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 655 | Q | 23 | Very low | 26 | Very low | 164 Ų | 164 | 143.5 Ų | 143.5 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | trans | -100.4 | 123.1 | 158.3 | -98.5 | -174.9 | -33.3 | 0 | 0 | 108 | N653 | N653-Q655 PolarHBondContact O-N 2.99Š| ||
| 656 | E | 22.4 | Very low | 26 | Very low | 162 Ų | 162 | 143.7 Ų | 143.7 | 76% | 0.757 | 79% | 0.794 | S | S | * | * | trans | 51.6 | 101.4 | 144.8 | -64.1 | 177.5 | 170.7 | 0 | 0 | 118.2 | ||||
| 657 | L | 24.7 | Very low | 26 | Very low | 184 Ų | 184 | 145.8 Ų | 145.8 | 96% | 0.963 | 80% | 0.8 | S | S | * | * | trans | -124.6 | 121.6 | 141.2 | -96.9 | 162.8 | 0 | 0 | 0 | 109.7 | ||||
| 658 | N | 23.5 | Very low | 26.2 | Very low | 136 Ų | 136 | 145.4 Ų | 145.4 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -70.3 | 140.2 | -169.5 | -101.5 | -37 | 0 | 0 | 0 | 113.5 | ||||
| 659 | S | 24.5 | Very low | 26.1 | Very low | 101 Ų | 101 | 144.5 Ų | 144.5 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | 38.4 | 97.6 | 138.2 | 57.8 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 660 | Q | 24.1 | Very low | 25.1 | Very low | 197 Ų | 197 | 143.8 Ų | 143.8 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | trans | -118.5 | 129.9 | 141.9 | -77.6 | -168.1 | -13.2 | 0 | 0 | 110.1 | N662 | Q660-N662 PolarHBondContact O-N 3.23Š| ||
| 661 | Q | 25 | Very low | 25.2 | Very low | 190 Ų | 190 | 144 Ų | 144 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | trans | -69.9 | 118.9 | -166.9 | -66.6 | 162.6 | -33.1 | 0 | 0 | 110.9 | ||||
| 662 | N | 25.3 | Very low | 25.2 | Very low | 143 Ų | 143 | 144 Ų | 144 | 77% | 0.765 | 80% | 0.8 | S | S | * | * | trans | -88.7 | 117.1 | 163.9 | -115 | -20.4 | 0 | 0 | 0 | 108.4 | Q660 L664 | Q660-N662 PolarHBondContact O-N 3.23Å; N662-L664 PolarHBondContact O-N 3.32Å | ||
| 663 | P | 31.4 | Very low | 25.2 | Very low | 114 Ų | 114 | 144.8 Ų | 144.8 | 74% | 0.74 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -84.2 | 48.1 | -169.7 | 35.5 | -35.5 | 0 | 0 | 0 | 113.1 | ||
| 664 | L | 26.8 | Very low | 25.2 | Very low | 161 Ų | 161 | 149.5 Ų | 149.5 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -117.3 | 23.3 | 174.5 | -77.8 | 173.4 | 0 | 0 | 0 | 113.5 | N662 | N662-L664 PolarHBondContact O-N 3.32Š| ||
| 665 | S | 26.9 | Very low | 25.2 | Very low | 93 Ų | 93 | 149.9 Ų | 149.9 | 65% | 0.65 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -111.9 | 9.4 | 170.8 | 60.5 | 0 | 0 | 0 | 0 | 114.6 | ||
| 666 | L | 27.9 | Very low | 25.2 | Very low | 148 Ų | 148 | 147 Ų | 147 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -102.3 | 13 | 177.5 | -89.4 | 167.6 | 0 | 0 | 0 | 115.6 | ||
| 667 | L | 27.7 | Very low | 25.3 | Very low | 160 Ų | 160 | 148.4 Ų | 148.4 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -122.3 | 10.1 | 169.6 | -79.8 | 168.8 | 0 | 0 | 0 | 114.8 | ||
| 668 | L | 26.9 | Very low | 25.2 | Very low | 166 Ų | 166 | 150 Ų | 150 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -110.4 | 27.3 | 174.1 | -73 | 173.6 | 0 | 0 | 0 | 113.8 | ||
| 669 | S | 25.1 | Very low | 25.2 | Very low | 94 Ų | 94 | 149.2 Ų | 149.2 | 66% | 0.657 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -133.5 | 51 | 174.7 | 59.9 | 0 | 0 | 0 | 0 | 113 | ||
| 670 | S | 24.6 | Very low | 25.2 | Very low | 108 Ų | 108 | 151.7 Ų | 151.7 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -154.4 | 54.7 | 160.8 | 57.5 | 0 | 0 | 0 | 0 | 114.1 | ||
| 671 | S | 24.8 | Very low | 25.1 | Very low | 115 Ų | 115 | 147 Ų | 147 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -152.6 | 42.2 | 161.4 | 59.4 | 0 | 0 | 0 | 0 | 113.6 | R673 | S671-R673 PolarHBondContact O-N 2.81Š| ||
| 672 | S | 23.9 | Very low | 25 | Very low | 123 Ų | 123 | 143 Ų | 143 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | -77.6 | 73.8 | 150.6 | -173.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 673 | R | 23.2 | Very low | 24.7 | Very low | 201 Ų | 201 | 142.1 Ų | 142.1 | 76% | 0.758 | 78% | 0.779 | S | S | * | * | trans | -120.2 | 93.3 | 158.1 | -101.3 | -171.7 | -175.9 | -158.7 | 3.3 | 107.4 | S671 Q675 | S671-R673 PolarHBondContact O-N 2.81Å; R673-Q675 PolarHBondContact O-N 3.3Å | ||
| 674 | R | 22.7 | Very low | 24.4 | Very low | 245 Ų | 245 | 145.4 Ų | 145.4 | 93% | 0.925 | 78% | 0.782 | S | S | * | * | trans | -51.4 | 94.4 | 149.9 | -68.9 | 179.6 | -177.8 | -179.6 | -0.6 | 107.6 | ||||
| 675 | Q | 24.2 | Very low | 24.2 | Very low | 142 Ų | 142 | 142.6 Ų | 142.6 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | trans | -125.2 | 106 | 155.8 | -82.4 | -172.4 | -28.4 | 0 | 0 | 106.1 | R673 E677 | R673-Q675 PolarHBondContact O-N 3.3Å; Q675-E677 PolarHBondContact O-N 2.62Å; Q675-E677 VanDerWaalsContact O-N 3.09Å | ||
| 676 | S | 23.5 | Very low | 24.2 | Very low | 104 Ų | 104 | 144.5 Ų | 144.5 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -31.3 | 110.2 | 163.4 | 50.9 | 0 | 0 | 0 | 0 | 111.2 | R678 | S676-R678 VanDerWaalsContact C-N 3.29Å; S676-R678 PolarHBondContact O-N 3.18Å | ||
| 677 | E | 24.4 | Very low | 24.2 | Very low | 192 Ų | 192 | 142.9 Ų | 142.9 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | trans | -63.1 | 96.4 | 160.5 | -70.7 | -179.5 | 163.9 | 0 | 0 | 106.9 | Q675 | Q675-E677 PolarHBondContact O-N 2.62Å; Q675-E677 VanDerWaalsContact O-N 3.09Å | ||
| 678 | R | 22.6 | Very low | 24.3 | Very low | 216 Ų | 216 | 142.5 Ų | 142.5 | 82% | 0.815 | 78% | 0.78 | S | S | * | * | trans | -80.5 | 130.5 | 154.9 | -79.1 | -175.8 | 174.6 | 175.5 | -1.9 | 106 | S676 L680 | S676-R678 VanDerWaalsContact C-N 3.29Å; S676-R678 PolarHBondContact O-N 3.18Å; R678-L680 PolarHBondContact O-N 3.12Å | ||
| 679 | P | 24.6 | Very low | 24.2 | Very low | 121 Ų | 121 | 140.4 Ų | 140.4 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | -57.3 | 130.4 | -179.7 | 24.7 | -31.7 | 0 | 0 | 0 | 108.2 | A681 | P679-A681 VanDerWaalsContact C-N 3.26Å; P679-A681 PolarHBondContact O-N 3.26Å | ||
| 680 | L | 23 | Very low | 24.2 | Very low | 153 Ų | 153 | 140.3 Ų | 140.3 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | trans | -62.1 | 84 | -177.8 | -75.9 | 163.3 | 0 | 0 | 0 | 110 | R678 I682 | R678-L680 PolarHBondContact O-N 3.12Å; L680-I682 HydrophobicContact CB-CD1 4.17Å; L680-I682 HydrophobicContact CB-CG1 4.07Å; L680-I682 HydrophobicContact CD2-CG1 4.43Å; L680-I682 PolarHBondContact O-N 3.35Å | ||
| 681 | A | 22.6 | Very low | 24.2 | Very low | 98 Ų | 98 | 142.7 Ų | 142.7 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | -71.7 | 80.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | P679 C683 | P679-A681 VanDerWaalsContact C-N 3.26Å; P679-A681 PolarHBondContact O-N 3.26Å; A681-C683 PolarHBondContact O-N 3.26Å | ||
| 682 | I | 23 | Very low | 24.1 | Very low | 106 Ų | 106 | 145.3 Ų | 145.3 | 54% | 0.544 | 79% | 0.787 | S | S | . | * | trans | -79.1 | 100.7 | 174.6 | -63.8 | 169.2 | 0 | 0 | 0 | 107.1 | L680 F684 | L680-I682 HydrophobicContact CB-CD1 4.17Å; L680-I682 HydrophobicContact CB-CG1 4.07Å; L680-I682 HydrophobicContact CD2-CG1 4.43Å; L680-I682 PolarHBondContact O-N 3.35Å; I682-F684 HydrophobicContact CG2-CE1 4.44Å; I682-F684 WeakPolarHBondContact O-CD2 3.44Å; I682-F684 PolarHBondContact O-N 2.97Å | ||
| 683 | C | 19.5 | Very low | 23.9 | Very low | 125 Ų | 125 | 147.3 Ų | 147.3 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | trans | -65 | 113.3 | 162.5 | -85 | 0 | 0 | 0 | 0 | 108.7 | A681 S685 | A681-C683 PolarHBondContact O-N 3.26Å; C683-S685 PolarHBondContact O-N 3.47Å | ||
| 684 | F | 25.1 | Very low | 23.9 | Very low | 182 Ų | 182 | 145.5 Ų | 145.5 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | trans | -74 | 104.8 | 175.9 | -66.5 | -86 | 0 | 0 | 0 | 110.6 | I682 | I682-F684 HydrophobicContact CG2-CE1 4.44Å; I682-F684 WeakPolarHBondContact O-CD2 3.44Å; I682-F684 PolarHBondContact O-N 2.97Å | ||
| 685 | S | 22.8 | Very low | 23.8 | Very low | 102 Ų | 102 | 142 Ų | 142 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | trans | -95.2 | 112.1 | 153.3 | 58.2 | 0 | 0 | 0 | 0 | 107.6 | C683 P687 | C683-S685 PolarHBondContact O-N 3.47Å; S685-P687 WeakPolarHBondContact O-CD 3.32Å; S685-P687 WeakPolarHBondContact O-CG 3.48Å | ||
| 686 | V | 26 | Very low | 23.7 | Very low | 134 Ų | 134 | 142.7 Ų | 142.7 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | -54.6 | 110 | 178.9 | -179.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 687 | P | 27.5 | Very low | 23.6 | Very low | 114 Ų | 114 | 143.6 Ų | 143.6 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | trans | -94.6 | 128.1 | 165.8 | 8.8 | 13.9 | 0 | 0 | 0 | 108.2 | S685 S689 | S685-P687 WeakPolarHBondContact O-CD 3.32Å; S685-P687 WeakPolarHBondContact O-CG 3.48Å; P687-S689 PolarHBondContact O-N 2.91Å | ||
| 688 | N | 29.4 | Very low | 23.6 | Very low | 151 Ų | 151 | 139.7 Ų | 139.7 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | trans | -32.4 | 116.4 | -178.8 | -68.3 | -27.8 | 0 | 0 | 0 | 114.9 | S690 | N688-S690 PolarHBondContact O-N 2.65Å; N688-S690 VanDerWaalsContact O-N 3.11Å | ||
| 689 | S | 25.2 | Very low | 23.7 | Very low | 122 Ų | 122 | 138.4 Ų | 138.4 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -69.9 | 90.7 | 169 | 55.2 | 0 | 0 | 0 | 0 | 110.7 | P687 | P687-S689 PolarHBondContact O-N 2.91Š| ||
| 690 | S | 25.6 | Very low | 23.6 | Very low | 92 Ų | 92 | 142.5 Ų | 142.5 | 64% | 0.643 | 80% | 0.797 | S | S | * | * | trans | -156.7 | 80.6 | 163.3 | 53.7 | 0 | 0 | 0 | 0 | 108.4 | N688 | N688-S690 PolarHBondContact O-N 2.65Å; N688-S690 VanDerWaalsContact O-N 3.11Å | ||
| 691 | D | 24.9 | Very low | 23.6 | Very low | 158 Ų | 158 | 140.4 Ų | 140.4 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 173.2 | 93.9 | 150.8 | -88.4 | -18.7 | 0 | 0 | 0 | 108.5 | ||
| 692 | L | 22.6 | Very low | 23.9 | Very low | 170 Ų | 170 | 141.8 Ų | 141.8 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | trans | 161.2 | 56.7 | 155.9 | -86.3 | 157.3 | 0 | 0 | 0 | 109.8 | ||||
| 693 | M | 20.7 | Very low | 24 | Very low | 166 Ų | 166 | 142.2 Ų | 142.2 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -92 | 105.9 | 153.6 | -101.7 | -158.3 | 72 | 0 | 0 | 107.2 | E695 | M693-E695 VanDerWaalsContact C-N 3.35Å; M693-E695 PolarHBondContact O-N 2.92Å; M693-E695 VanDerWaalsContact O-N 3.08Å | ||
| 694 | L | 22.1 | Very low | 24.2 | Very low | 163 Ų | 163 | 144.3 Ų | 144.3 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | -69.4 | 96.9 | 161.5 | -90 | 152.4 | 0 | 0 | 0 | 107.2 | L696 | L694-L696 PolarHBondContact O-N 2.97Š| ||
| 695 | E | 20.2 | Very low | 24.1 | Very low | 170 Ų | 170 | 140.4 Ų | 140.4 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | -59.9 | 116.4 | 177.3 | -73 | -176.7 | 148.3 | 0 | 0 | 111 | M693 | M693-E695 VanDerWaalsContact C-N 3.35Å; M693-E695 PolarHBondContact O-N 2.92Å; M693-E695 VanDerWaalsContact O-N 3.08Å | ||
| 696 | L | 22.2 | Very low | 24.2 | Very low | 157 Ų | 157 | 141.1 Ų | 141.1 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | trans | -67.6 | 124.5 | 158.1 | -82.8 | 143.9 | 0 | 0 | 0 | 108.2 | L694 S698 | L694-L696 PolarHBondContact O-N 2.97Å; L696-S698 PolarHBondContact O-N 3.2Å | ||
| 697 | P | 22.1 | Very low | 24.2 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | trans | -72 | 97.3 | 179.2 | 28 | -30.7 | 0 | 0 | 0 | 109.3 | Q699 | P697-Q699 PolarHBondContact O-N 3.36Š| ||
| 698 | S | 24.1 | Very low | 23.9 | Very low | 110 Ų | 110 | 142.2 Ų | 142.2 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | trans | -74 | 105.7 | 171.1 | 50.4 | 0 | 0 | 0 | 0 | 109.4 | L696 K700 | L696-S698 PolarHBondContact O-N 3.2Å; S698-K700 PolarHBondContact O-N 3.21Å | ||
| 699 | Q | 24.5 | Very low | 23.5 | Very low | 189 Ų | 189 | 140.8 Ų | 140.8 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | trans | -67.5 | 114.2 | 168.5 | -75 | -172 | -12.7 | 0 | 0 | 109.2 | P697 S701 | P697-Q699 PolarHBondContact O-N 3.36Å; Q699-S701 PolarHBondContact O-N 3.42Å | ||
| 700 | K | 21.7 | Very low | 23.5 | Very low | 208 Ų | 208 | 140 Ų | 140 | 90% | 0.904 | 81% | 0.814 | S | S | * | * | trans | -66.4 | 113.2 | 172.9 | -69.9 | 176 | 176.5 | 176.1 | 0 | 109.9 | S698 | S698-K700 PolarHBondContact O-N 3.21Š| ||
| 701 | S | 23.3 | Very low | 23.3 | Very low | 108 Ų | 108 | 143.5 Ų | 143.5 | 76% | 0.755 | 83% | 0.825 | S | S | * | * | trans | -101.5 | 125 | 156.5 | 50.8 | 0 | 0 | 0 | 0 | 108.7 | Q699 | Q699-S701 PolarHBondContact O-N 3.42Š| ||
| 702 | P | 30.4 | Very low | 23.4 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 83% | 0.831 | 82% | 0.821 | S | S | * | * | trans | -91.2 | 122.9 | 178.9 | 33.5 | -26.8 | 0 | 0 | 0 | 109.1 | ||||
| 703 | S | 24.5 | Very low | 23.5 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -147.3 | 129 | 157.3 | 55.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 704 | N | 24.5 | Very low | 23.7 | Very low | 169 Ų | 169 | 137.2 Ų | 137.2 | 90% | 0.904 | 82% | 0.819 | S | S | * | * | trans | -69.2 | 145.4 | -169.7 | -78.7 | -37.7 | 0 | 0 | 0 | 112.2 | ||||
| 705 | A | 22.3 | Very low | 23.7 | Very low | 99 Ų | 99 | 138.7 Ų | 138.7 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -49.1 | 136.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 706 | S | 25.2 | Very low | 23.9 | Very low | 117 Ų | 117 | 135 Ų | 135 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -145.6 | 116.5 | 143.3 | 55.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 707 | N | 24.4 | Very low | 24.1 | Very low | 159 Ų | 159 | 133.5 Ų | 133.5 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | trans | -54.3 | 133.8 | 168.7 | -76.7 | -22.3 | 0 | 0 | 0 | 110.5 | ||||
| 708 | C | 22.7 | Very low | 24 | Very low | 112 Ų | 112 | 136.6 Ų | 136.6 | 76% | 0.757 | 82% | 0.82 | S | S | * | * | trans | -146.6 | 98.1 | 147.3 | -155.7 | 0 | 0 | 0 | 0 | 109.2 | C710 | C708-C710 VanDerWaalsContact SG-SG 3.68Š| ||
| 709 | C | 21 | Very low | 24.1 | Very low | 121 Ų | 121 | 140 Ų | 140 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -70.9 | 124.9 | 160.2 | -63.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 710 | C | 24.5 | Very low | 23.9 | Very low | 105 Ų | 105 | 136.3 Ų | 136.3 | 71% | 0.709 | 82% | 0.819 | S | S | * | * | trans | -139.2 | 93.9 | 161.4 | -64.4 | 0 | 0 | 0 | 0 | 106.9 | C708 S712 | C708-C710 VanDerWaalsContact SG-SG 3.68Å; C710-S712 PolarHBondContact O-N 2.99Å | ||
| 711 | D | 22.4 | Very low | 24 | Very low | 166 Ų | 166 | 138.2 Ų | 138.2 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | trans | -58.5 | 125.6 | 157.7 | -79.3 | -41.3 | 0 | 0 | 0 | 108.7 | ||||
| 712 | S | 26.5 | Very low | 24.1 | Very low | 109 Ų | 109 | 142 Ų | 142 | 76% | 0.762 | 83% | 0.827 | S | S | * | * | trans | -144.4 | 88.6 | 158.4 | 56.6 | 0 | 0 | 0 | 0 | 108.9 | C710 S714 | C710-S712 PolarHBondContact O-N 2.99Å; S712-S714 PolarHBondContact O-N 3.12Å | ||
| 713 | T | 23.8 | Very low | 24.3 | Very low | 143 Ų | 143 | 141.9 Ų | 141.9 | 88% | 0.877 | 83% | 0.825 | S | S | * | * | trans | -50.4 | 120.8 | 153.1 | 49.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 714 | S | 25.1 | Very low | 24.3 | Very low | 111 Ų | 111 | 145.3 Ų | 145.3 | 78% | 0.776 | 83% | 0.829 | S | S | * | * | trans | -144.6 | 102.4 | 158.5 | -174.2 | 0 | 0 | 0 | 0 | 108.6 | S712 | S712-S714 PolarHBondContact O-N 3.12Š| ||
| 715 | E | 23.2 | Very low | 24.4 | Very low | 193 Ų | 193 | 142.1 Ų | 142.1 | 90% | 0.902 | 82% | 0.82 | S | S | * | * | trans | -56 | 136.6 | 162.5 | -63.9 | 170.2 | 148.8 | 0 | 0 | 110.1 | ||||
| 716 | A | 24 | Very low | 24.4 | Very low | 92 Ų | 92 | 142.3 Ų | 142.3 | 76% | 0.76 | 82% | 0.821 | S | S | * | * | trans | -157.2 | 87.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 717 | V | 25.4 | Very low | 24.3 | Very low | 126 Ų | 126 | 144 Ų | 144 | 76% | 0.764 | 82% | 0.819 | S | S | * | * | trans | 39.6 | 108.7 | 136.7 | -172.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 718 | E | 21.2 | Very low | 24.1 | Very low | 188 Ų | 188 | 145.2 Ų | 145.2 | 88% | 0.879 | 82% | 0.82 | S | S | * | * | trans | -54.3 | 129.7 | 163.4 | -66.7 | 169.9 | 145.7 | 0 | 0 | 112.5 | ||||
| 719 | H | 25 | Very low | 24.1 | Very low | 181 Ų | 181 | 145.9 Ų | 145.9 | 84% | 0.838 | 83% | 0.825 | S | S | * | * | trans | -111.7 | 100.2 | 159.5 | -91.7 | -43.7 | 0 | 0 | 0 | 109.4 | R721 | H719-R721 PolarHBondContact O-N 3.48Š| ||
| 720 | S | 21.8 | Very low | 24.2 | Very low | 112 Ų | 112 | 148.3 Ų | 148.3 | 78% | 0.783 | 83% | 0.829 | S | S | * | * | trans | -61.2 | 121.1 | 164.3 | 53.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 721 | R | 23.5 | Very low | 24.1 | Very low | 248 Ų | 248 | 148 Ų | 148 | 94% | 0.936 | 83% | 0.834 | S | S | * | * | trans | -134.9 | 114.2 | 156.9 | -84.9 | -173.2 | 173.7 | 168.4 | -1.6 | 108.8 | H719 | H719-R721 PolarHBondContact O-N 3.48Š| ||
| 722 | E | 25.3 | Very low | 24.2 | Very low | 189 Ų | 189 | 149 Ų | 149 | 88% | 0.883 | 83% | 0.833 | S | S | * | * | trans | -69.6 | 157 | 173.4 | -74.4 | 176.3 | 150.7 | 0 | 0 | 111.8 | ||||
| 723 | P | 33.8 | Very low | 23.9 | Very low | 124 Ų | 124 | 152.7 Ų | 152.7 | 81% | 0.805 | 84% | 0.838 | S | S | * | * | trans | -96.9 | 139.6 | -168.6 | 36.2 | -29.1 | 0 | 0 | 0 | 112.5 | ||||
| 724 | E | 24.9 | Very low | 23.9 | Very low | 188 Ų | 188 | 151.8 Ų | 151.8 | 88% | 0.879 | 83% | 0.832 | S | S | * | * | trans | -117.3 | 118.9 | 172 | -83.4 | -172.5 | 160.2 | 0 | 0 | 112.7 | ||||
| 725 | S | 25.8 | Very low | 23.9 | Very low | 102 Ų | 102 | 152.4 Ų | 152.4 | 71% | 0.713 | 83% | 0.831 | S | S | * | * | trans | 59.1 | 110.9 | 141.4 | 63.6 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 726 | A | 22.1 | Very low | 24 | Very low | 102 Ų | 102 | 150.5 Ų | 150.5 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | trans | -58 | 139.2 | 155.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 727 | I | 24.5 | Very low | 23.9 | Very low | 152 Ų | 152 | 151.1 Ų | 151.1 | 78% | 0.779 | 82% | 0.824 | S | S | * | * | trans | -112.9 | 108.3 | 171.5 | -65.2 | 174.9 | 0 | 0 | 0 | 107.4 | ||||
| 728 | E | 20.6 | Very low | 23.8 | Very low | 185 Ų | 185 | 152.5 Ų | 152.5 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | trans | -73.6 | 126.5 | 164.2 | -73.3 | 176.3 | 145.2 | 0 | 0 | 109.3 | ||||
| 729 | C | 22.1 | Very low | 24.1 | Very low | 127 Ų | 127 | 151.6 Ų | 151.6 | 86% | 0.858 | 82% | 0.823 | S | S | * | * | trans | -109.8 | 112.2 | 172.8 | -107 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 730 | L | 22.2 | Very low | 24 | Very low | 172 Ų | 172 | 147.4 Ų | 147.4 | 90% | 0.901 | 81% | 0.814 | S | S | * | * | trans | -73.1 | 140.9 | 176.3 | -70.3 | 163.1 | 0 | 0 | 0 | 111.6 | ||||
| 731 | A | 23 | Very low | 24.2 | Very low | 99 Ų | 99 | 149 Ų | 149 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -83.4 | 125 | 173 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 732 | E | 23.7 | Very low | 24.2 | Very low | 185 Ų | 185 | 141.3 Ų | 141.3 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | -102 | 109.8 | 169.5 | -80.5 | -174 | 156.3 | 0 | 0 | 109.9 | ||||
| 733 | E | 21.9 | Very low | 24.2 | Very low | 187 Ų | 187 | 143.3 Ų | 143.3 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -80.7 | 126.6 | 161.5 | -72.6 | -179.4 | 150.4 | 0 | 0 | 109.2 | ||||
| 734 | V | 23.5 | Very low | 23.7 | Very low | 124 Ų | 124 | 144.8 Ų | 144.8 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | -123.5 | 106.4 | 169.9 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 735 | V | 24.1 | Very low | 23.7 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | trans | -66.3 | 144.4 | 161.6 | 173.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 736 | I | 24.7 | Very low | 23.6 | Very low | 153 Ų | 153 | 140 Ų | 140 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -169.1 | 118.6 | 139.6 | -89.9 | 144.4 | 0 | 0 | 0 | 111.4 | ||||
| 737 | S | 23.5 | Very low | 23.6 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | 14.1 | 131.5 | 156.3 | 61.2 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 738 | E | 23.3 | Very low | 23.6 | Very low | 156 Ų | 156 | 139.1 Ų | 139.1 | 73% | 0.729 | 81% | 0.808 | S | S | * | * | trans | -59.9 | 145.2 | 153.9 | -57.1 | 171.8 | 148.3 | 0 | 0 | 113.1 | ||||
| 739 | D | 25.8 | Very low | 23.7 | Very low | 168 Ų | 168 | 139.4 Ų | 139.4 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | trans | -156.8 | 142.2 | 142.3 | -104.6 | -23.6 | 0 | 0 | 0 | 110.5 | ||||
| 740 | S | 24 | Very low | 23.6 | Very low | 93 Ų | 93 | 143.1 Ų | 143.1 | 65% | 0.65 | 81% | 0.811 | S | S | * | * | trans | -85.6 | 156.9 | -165.5 | 50.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 741 | D | 25 | Very low | 23.6 | Very low | 146 Ų | 146 | 141.3 Ų | 141.3 | 78% | 0.781 | 81% | 0.811 | S | S | * | * | 177.5 | 132.4 | 112.3 | -85.2 | -12.7 | 0 | 0 | 0 | 114.1 | |||||
| 742 | S | 23.9 | Very low | 23.6 | Very low | 87 Ų | 87 | 142 Ų | 142 | 61% | 0.608 | 81% | 0.811 | S | S | * | * | trans | -6.3 | 142.9 | 162.9 | 59.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 743 | Y | 25.5 | Very low | 23.6 | Very low | 231 Ų | 231 | 138.2 Ų | 138.2 | 91% | 0.906 | 81% | 0.81 | S | S | * | * | -167.6 | 144.7 | 109.6 | -98.6 | -70.3 | 0 | 0 | 0 | 112.8 | |||||
| 744 | D | 24 | Very low | 23.7 | Very low | 154 Ų | 154 | 137.9 Ų | 137.9 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | trans | -71.7 | 157.5 | -160.7 | -109.6 | -35.8 | 0 | 0 | 0 | 117.5 | ||||
| 745 | S | 24.3 | Very low | 23.8 | Very low | 112 Ų | 112 | 137.9 Ų | 137.9 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | trans | -55.4 | 132.9 | 177.2 | 47 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 746 | G | 22.8 | Very low | 24.1 | Very low | 77 Ų | 77 | 138.2 Ų | 138.2 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | -116.5 | 124.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 747 | S | 23.5 | Very low | 25 | Very low | 131 Ų | 131 | 135.2 Ų | 135.2 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | trans | -59.8 | 128.6 | -176.1 | 35.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 748 | A | 25.1 | Very low | 25.8 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 88% | 0.876 | 79% | 0.792 | S | S | * | * | trans | -111 | 119.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 749 | Q | 22 | Very low | 26.8 | Very low | 191 Ų | 191 | 130 Ų | 130 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | trans | -97.2 | 140.4 | -174.7 | -141.1 | 170.4 | 6.8 | 0 | 0 | 110.3 | ||||
| 750 | F | 20.7 | Very low | 27.9 | Very low | 204 Ų | 204 | 123.7 Ų | 123.7 | 90% | 0.895 | 76% | 0.756 | S | S | * | * | trans | -36.4 | 135.2 | 178.5 | -75.8 | -103 | 0 | 0 | 0 | 116.7 | ||||
| 751 | C | 21.3 | Very low | 29.1 | Very low | 134 Ų | 134 | 120.2 Ų | 120.2 | 91% | 0.905 | 73% | 0.73 | S | S | * | * | trans | -124.2 | 127.3 | 157.8 | -84.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 752 | S | 22.4 | Very low | 30.4 | Very low | 115 Ų | 115 | 118.2 Ų | 118.2 | 80% | 0.804 | 71% | 0.714 | S | S | * | * | trans | -78.6 | 152 | -174.3 | 46.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 753 | A | 23.9 | Very low | 31.9 | Very low | 104 Ų | 104 | 116 Ų | 116 | 86% | 0.86 | 70% | 0.698 | S | S | * | * | trans | -60 | 131.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 754 | E | 24.8 | Very low | 33.3 | Very low | 180 Ų | 180 | 105.6 Ų | 105.6 | 84% | 0.841 | 66% | 0.658 | S | S | * | * | trans | -108.9 | 157.4 | 167.1 | -75.8 | -173.5 | 156.4 | 0 | 0 | 111.5 | ||||
| 755 | S | 26 | Very low | 34.8 | Very low | 124 Ų | 124 | 99.8 Ų | 99.8 | 87% | 0.867 | 63% | 0.627 | S | S | * | * | trans | -84.5 | 137.5 | -164.5 | 43.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 756 | N | 30.7 | Very low | 36.1 | Very low | 132 Ų | 132 | 100.5 Ų | 100.5 | 71% | 0.706 | 62% | 0.621 | S | S | * | * | trans | -104.3 | 17.9 | -151.3 | -90.6 | -17.3 | 0 | 0 | 0 | 119.6 | ||||
| 757 | S | 43.4 | Very low | 37.3 | Very low | 89 Ų | 89 | 98 Ų | 98 | 62% | 0.622 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -85.5 | -33.9 | -172.1 | 74.8 | 0 | 0 | 0 | 0 | 116.5 | ||
| 758 | I | 38.6 | Very low | 38.6 | Very low | 91 Ų | 91 | 97.3 Ų | 97.3 | 47% | 0.467 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -81.3 | -28.7 | -179 | -63 | 175.5 | 0 | 0 | 0 | 111.8 | G760 K762 | I758-G760 PolarHBondContact O-N 3.04Å; I758-K762 HydrophobicContact CG2-CD 4.44Å; I758-K762 PolarHBondContact O-N 3.19Å |
| 759 | A | 45.8 | Very low | 39.8 | Very low | 61 Ų | 61 | 97.5 Ų | 97.5 | 50% | 0.504 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -56.1 | -39.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S763 | A759-S763 WeakPolarHBondContact O-CB 3.5Å; A759-S763 PolarHBondContact O-N 2.99Å |
| 760 | G | 49 | Very low | 41.2 | Very low | 36 Ų | 36 | 90.1 Ų | 90.1 | 37% | 0.371 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.9 | -46.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | I758 S763 M764 | I758-G760 PolarHBondContact O-N 3.04Å; G760-S763 PolarHBondContact O-N 3.22Å; G760-S763 PolarHBondContact O-OG 3.43Å; G760-M764 WeakPolarHBondContact O-CG 3.48Å; G760-M764 PolarHBondContact O-N 3.19Å |
| 761 | M | 49.1 | Very low | 42.3 | Very low | 20 Ų | 20 | 85.8 Ų | 85.8 | 10% | 0.099 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -69.2 | -36.7 | 179.4 | -103.1 | 178.7 | 67.1 | 0 | 0 | 112.2 | E85 L88 W89 M764 L765 | E85-M761 HydrophobicContact CB-CE 4.5Å; E85-M761 VanDerWaalsContact O-CE 3.3Å; E85-M761 WeakPolarHBondContact O-CE 3.36Å; L88-M761 HydrophobicContact CB-CE 3.71Å; W89-M761 HydrophobicContact CB-CE 4.3Å; W89-M761 HydrophobicContact CB-SD 4.29Å; M761-M764 PolarHBondContact O-N 3.15Å; M761-L765 PolarHBondContact O-N 3.45Å |
| 762 | K | 51.5 | Low | 43.6 | Very low | 103 Ų | 103 | 84.1 Ų | 84.1 | 45% | 0.448 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.6 | -41.8 | 174.1 | -94.1 | -172.3 | 173.4 | -176.8 | 0 | 111.7 | I758 L765 L766 | I758-K762 HydrophobicContact CG2-CD 4.44Å; I758-K762 PolarHBondContact O-N 3.19Å; K762-L765 PolarHBondContact O-N 3.21Å; K762-L766 WeakPolarHBondContact O-CB 3.49Å; K762-L766 WeakPolarHBondContact O-CG 3.4Å; K762-L766 PolarHBondContact O-N 3.47Å; K762-L766 VanDerWaalsContact O-N 3.1Å |
| 763 | S | 55.1 | Low | 44.7 | Very low | 40 Ų | 40 | 81.3 Ų | 81.3 | 28% | 0.28 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 177.7 | 109.5 | 0 | 0 | 0 | 0 | 110.2 | A759 G760 L765 L766 S767 E773 | A759-S763 WeakPolarHBondContact O-CB 3.5Å; A759-S763 PolarHBondContact O-N 2.99Å; G760-S763 PolarHBondContact O-N 3.22Å; G760-S763 PolarHBondContact O-OG 3.43Å; S763-L765 VanDerWaalsContact C-N 3.33Å; S763-L765 PolarHBondContact O-N 3.34Å; S763-L766 PolarHBondContact O-N 3.42Å; S763-L766 VanDerWaalsContact O-N 3.15Å; S763-S767 WeakPolarHBondContact O-CB 3.49Å; S763-S767 PolarHBondContact O-N 3.09Å; S763-S767 PolarHBondContact O-OG 3.48Å; S763-E773 WeakPolarHBondContact CB-OE1 3.33Å; S763-E773 PolarHBondContact OG-OE1 3.11Å; S763-E773 PolarHBondContact OG-OE2 2.92Å |
| 764 | M | 56.3 | Low | 45.8 | Very low | 14 Ų | 14 | 76.7 Ų | 76.7 | 7% | 0.069 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -62.3 | -29.9 | 177.8 | -70.6 | -176.8 | 75.9 | 0 | 0 | 115.6 | G126 R129 I130 F233 G760 M761 | G126-M764 WeakPolarHBondContact CA-O 3.41Å; R129-M764 HydrophobicContact CB-CE 3.44Å; R129-M764 VanDerWaalsContact CB-CE 3.44Å; I130-M764 HydrophobicContact CD1-CB 4.3Å; I130-M764 HydrophobicContact CG1-CB 4.16Å; I130-M764 HydrophobicContact CG1-CE 3.9Å; I130-M764 HydrophobicContact CG1-SD 4.17Å; F233-M764 HydrophobicContact CE2-CE 4.15Å; F233-M764 HydrophobicContact CZ-CE 3.54Å; F233-M764 HydrophobicContact CZ-SD 3.99Å; G760-M764 WeakPolarHBondContact O-CG 3.48Å; G760-M764 PolarHBondContact O-N 3.19Å; M761-M764 PolarHBondContact O-N 3.15Å |
| 765 | L | 55.4 | Low | 47.1 | Very low | 32 Ų | 32 | 72.7 Ų | 72.7 | 17% | 0.168 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -82.5 | -29.3 | 176.5 | -75.3 | 170.5 | 0 | 0 | 0 | 112.9 | E85 L127 I130 M761 K762 S763 | E85-L765 HydrophobicContact CG-CD1 3.34Å; L127-L765 HydrophobicContact CD2-CD2 3.56Å; L127-L765 HydrophobicContact CG-CD2 4.29Å; I130-L765 HydrophobicContact CD1-CD1 4.41Å; I130-L765 HydrophobicContact CD1-CD2 3.67Å; I130-L765 HydrophobicContact CD1-CG 3.7Å; M761-L765 PolarHBondContact O-N 3.45Å; K762-L765 PolarHBondContact O-N 3.21Å; S763-L765 VanDerWaalsContact C-N 3.33Å; S763-L765 PolarHBondContact O-N 3.34Å |
| 766 | L | 52 | Low | 48.5 | Very low | 126 Ų | 126 | 67.4 Ų | 67.4 | 66% | 0.66 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -107 | -10.5 | -170.9 | -65.6 | 168.8 | 0 | 0 | 0 | 113.8 | K762 S763 E768 | K762-L766 WeakPolarHBondContact O-CB 3.49Å; K762-L766 WeakPolarHBondContact O-CG 3.4Å; K762-L766 PolarHBondContact O-N 3.47Å; K762-L766 VanDerWaalsContact O-N 3.1Å; S763-L766 PolarHBondContact O-N 3.42Å; S763-L766 VanDerWaalsContact O-N 3.15Å; L766-E768 PolarHBondContact O-N 2.79Å |
| 767 | S | 47.7 | Very low | 49.3 | Very low | 24 Ų | 24 | 63.7 Ų | 63.7 | 17% | 0.168 | 36% | 0.362 | C | S | . | . | trans | -73.3 | 88.2 | 179.5 | 52.5 | 0 | 0 | 0 | 0 | 111.2 | S763 E773 | S763-S767 WeakPolarHBondContact O-CB 3.49Å; S763-S767 PolarHBondContact O-N 3.09Å; S763-S767 PolarHBondContact O-OG 3.48Å; S767-E773 WeakPolarHBondContact CB-OE2 3.12Å; S767-E773 PolarHBondContact OG-OE2 3.24Å | ||
| 768 | E | 49.4 | Very low | 49.4 | Very low | 118 Ų | 118 | 63.2 Ų | 63.2 | 55% | 0.551 | 36% | 0.359 | S | S | * | . | trans | -67.9 | -18.3 | 160.4 | -76.9 | -168.5 | -177.5 | 0 | 0 | 111.3 | Q212 L766 I770 | Q212-E768 PolarHBondContact NE2-OE1 3.11Å; L766-E768 PolarHBondContact O-N 2.79Å; E768-I770 PolarHBondContact O-N 2.96Å; E768-I770 VanDerWaalsContact O-N 3.12Å | ||
| 769 | D | 50.2 | Low | 49.7 | Very low | 110 Ų | 110 | 62.2 Ų | 62.2 | 59% | 0.588 | 36% | 0.357 | S | S | * | . | trans | -84.3 | 83.7 | 172.9 | -71.9 | -28.8 | 0 | 0 | 0 | 110.5 | L771 T772 | D769-L771 PolarHBondContact O-N 2.82Å; D769-T772 HydrophobicContact CB-CG2 4.21Å; D769-T772 WeakPolarHBondContact CB-OG1 3.41Å; D769-T772 PolarHBondContact O-N 2.95Å; D769-T772 PolarHBondContact O-OG1 3.29Å | ||
| 770 | I | 51.5 | Low | 49.3 | Very low | 36 Ų | 36 | 65.4 Ų | 65.4 | 19% | 0.185 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | -18.5 | 177.9 | -71.5 | 161.7 | 0 | 0 | 0 | 113.2 | A217 E768 | A217-I770 HydrophobicContact CB-CD1 3.43Å; A217-I770 VanDerWaalsContact CB-CD1 3.43Å; E768-I770 PolarHBondContact O-N 2.96Å; E768-I770 VanDerWaalsContact O-N 3.12Å |
| 771 | L | 43.9 | Very low | 48.9 | Very low | 112 Ų | 112 | 64.7 Ų | 64.7 | 59% | 0.586 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | -18.6 | -171.5 | -64.5 | 171.2 | 0 | 0 | 0 | 115.8 | M221 D769 | M221-L771 HydrophobicContact CE-CD1 4.08Å; M221-L771 HydrophobicContact CE-CD2 4.16Å; D769-L771 PolarHBondContact O-N 2.82Å |
| 772 | T | 48 | Very low | 48.6 | Very low | 100 Ų | 100 | 67.5 Ų | 67.5 | 61% | 0.613 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -93.8 | -9.7 | -165.6 | 50.5 | 0 | 0 | 0 | 0 | 115.4 | D769 | D769-T772 HydrophobicContact CB-CG2 4.21Å; D769-T772 WeakPolarHBondContact CB-OG1 3.41Å; D769-T772 PolarHBondContact O-N 2.95Å; D769-T772 PolarHBondContact O-OG1 3.29Å |
| 773 | E | 45.9 | Very low | 48 | Very low | 55 Ų | 55 | 68.1 Ų | 68.1 | 26% | 0.257 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -109.3 | 3.3 | -169.7 | -69.5 | -173.9 | 157.8 | 0 | 0 | 115.7 | K229 S763 S767 | K229-E773 PolarHBondContact NZ-O 2.96Å; S763-E773 WeakPolarHBondContact CB-OE1 3.33Å; S763-E773 PolarHBondContact OG-OE1 3.11Å; S763-E773 PolarHBondContact OG-OE2 2.92Å; S767-E773 WeakPolarHBondContact CB-OE2 3.12Å; S767-E773 PolarHBondContact OG-OE2 3.24Å |
| 774 | S | 48.1 | Very low | 47.4 | Very low | 8 Ų | 8 | 68.4 Ų | 68.4 | 6% | 0.056 | 39% | 0.388 | C | S | . | . | trans | -91.2 | 106.2 | 176.5 | 53.2 | 0 | 0 | 0 | 0 | 110.3 | E228 I776 M777 S778 | E228-S774 VanDerWaalsContact OE2-CB 3.23Å; E228-S774 WeakPolarHBondContact OE2-CB 3.17Å; E228-S774 PolarHBondContact OE2-OG 3.47Å; S774-I776 PolarHBondContact O-N 3.47Å; S774-M777 PolarHBondContact O-N 3.43Å; S774-M777 WeakPolarHBondContact OG-CB 3.2Å; S774-S778 PolarHBondContact O-N 3.32Å | ||
| 775 | T | 52.3 | Low | 46.8 | Very low | 95 Ų | 95 | 69.1 Ų | 69.1 | 58% | 0.583 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -22.3 | 170.8 | 22.7 | 0 | 0 | 0 | 0 | 112.7 | M777 | T775-M777 VanDerWaalsContact C-N 3.28Å; T775-M777 PolarHBondContact O-N 2.83Å |
| 776 | I | 55.3 | Low | 46.2 | Very low | 13 Ų | 13 | 70.8 Ų | 70.8 | 7% | 0.067 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -30.6 | 174.6 | -58.5 | 175 | 0 | 0 | 0 | 110.8 | E228 L231 E232 R324 S774 | E228-I776 HydrophobicContact CB-CD1 4.45Å; L231-I776 HydrophobicContact CB-CD1 4.42Å; E232-I776 HydrophobicContact CB-CD1 4.39Å; R324-I776 HydrophobicContact CG-CG2 4.11Å; R324-I776 PolarHBondContact NE-O 3.48Å; R324-I776 PolarHBondContact NH2-O 2.99Å; S774-I776 PolarHBondContact O-N 3.47Å |
| 777 | M | 46.6 | Very low | 45.8 | Very low | 54 Ų | 54 | 69 Ų | 69 | 27% | 0.266 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | -15.5 | -179.1 | -67.7 | -139.2 | 96 | 0 | 0 | 116.5 | Q224 E228 R324 S774 T775 T779 | Q224-M777 PolarHBondContact NE2-SD 3.47Å; E228-M777 WeakPolarHBondContact OE1-CG 3.39Å; E228-M777 VanDerWaalsContact OE1-SD 3.36Å; R324-M777 VanDerWaalsContact NH1-CE 3.28Å; S774-M777 PolarHBondContact O-N 3.43Å; S774-M777 WeakPolarHBondContact OG-CB 3.2Å; T775-M777 VanDerWaalsContact C-N 3.28Å; T775-M777 PolarHBondContact O-N 2.83Å; M777-T779 PolarHBondContact O-N 3.28Å; M777-T779 VanDerWaalsContact O-O 3.09Å |
| 778 | S | 45.9 | Very low | 45.7 | Very low | 79 Ų | 79 | 70.3 Ų | 70.3 | 55% | 0.552 | 40% | 0.402 | S | S | * | . | trans | -69 | 9.4 | -169.5 | 67.4 | 0 | 0 | 0 | 0 | 116 | S774 | S774-S778 PolarHBondContact O-N 3.32Š| ||
| 779 | T | 43.8 | Very low | 45.6 | Very low | 71 Ų | 71 | 65.7 Ų | 65.7 | 44% | 0.436 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -84.7 | 113.2 | 161.8 | 59.5 | 0 | 0 | 0 | 0 | 107.1 | R324 R415 M777 D781 | R324-T779 PolarHBondContact NH2-OG1 3.18Å; R415-T779 PolarHBondContact NH2-OG1 2.85Å; R415-T779 VanDerWaalsContact NH2-OG1 3.12Å; M777-T779 PolarHBondContact O-N 3.28Å; M777-T779 VanDerWaalsContact O-O 3.09Å; T779-D781 WeakPolarHBondContact CB-OD1 3.49Å; T779-D781 PolarHBondContact O-N 3.31Å; T779-D781 PolarHBondContact OG1-OD1 3.08Å |
| 780 | N | 37.9 | Very low | 45.2 | Very low | 127 Ų | 127 | 64.2 Ų | 64.2 | 68% | 0.679 | 38% | 0.379 | S | S | * | . | trans | -61.9 | 83.2 | 175.2 | -86.5 | -9.4 | 0 | 0 | 0 | 109.5 | A782 T784 | N780-A782 PolarHBondContact O-N 2.57Å; N780-T784 PolarHBondContact O-N 2.9Å | ||
| 781 | D | 41.9 | Very low | 44.3 | Very low | 22 Ų | 22 | 69.9 Ų | 69.9 | 12% | 0.118 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -73.6 | -13.6 | -172.2 | -69 | -19 | 0 | 0 | 0 | 112 | R324 R415 T779 T784 V785 | R324-D781 IonicContact CZ-OD2 2.87Å; R324-D781 IonicContact NH1-OD2 3.87Å; R324-D781 PolarHBondContact NH1-OD2 3.19Å; R324-D781 IonicContact NH2-OD1 3.62Å; R324-D781 IonicContact NH2-OD2 3.53Å; R324-D781 PolarHBondContact NH2-OD2 3.11Å; R415-D781 IonicContact CZ-OD2 3.57Å; R415-D781 IonicContact NH1-OD2 3.5Å; R415-D781 PolarHBondContact NH1-OD2 3.42Å; R415-D781 IonicContact NH2-OD1 2.78Å; R415-D781 PolarHBondContact NH2-OD1 3.44Å; R415-D781 IonicContact NH2-OD2 2.68Å; R415-D781 PolarHBondContact NH2-OD2 2.85Å; T779-D781 WeakPolarHBondContact CB-OD1 3.49Å; T779-D781 PolarHBondContact O-N 3.31Å; T779-D781 PolarHBondContact OG1-OD1 3.08Å; D781-T784 WeakPolarHBondContact CA-OG1 3.35Å; D781-T784 CarbonylContact O-C 3.51Å; D781-V785 WeakPolarHBondContact O-CB 3.3Å; D781-V785 WeakPolarHBondContact O-CG2 3.42Å; D781-V785 PolarHBondContact O-N 3.39Å |
| 782 | A | 41.2 | Very low | 43.8 | Very low | 79 Ų | 79 | 69.6 Ų | 69.6 | 65% | 0.653 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -68.9 | -42.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N780 | N780-A782 PolarHBondContact O-N 2.57Å |
| 783 | D | 38.8 | Very low | 43.1 | Very low | 115 Ų | 115 | 71.5 Ų | 71.5 | 62% | 0.615 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -75.3 | -35 | 176.7 | -64 | -28.7 | 0 | 0 | 0 | 110.5 | D787 | D783-D787 PolarHBondContact O-N 3.37Å; D783-D787 VanDerWaalsContact O-N 3.15Å |
| 784 | T | 43.8 | Very low | 42.6 | Very low | 47 Ų | 47 | 77.8 Ų | 77.8 | 29% | 0.288 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -81.4 | -10.2 | 175.2 | 71.2 | 0 | 0 | 0 | 0 | 114.5 | N780 D781 E788 | N780-T784 PolarHBondContact O-N 2.9Å; D781-T784 WeakPolarHBondContact CA-OG1 3.35Å; D781-T784 CarbonylContact O-C 3.51Å; T784-E788 WeakPolarHBondContact O-CA 3.24Å; T784-E788 WeakPolarHBondContact O-CB 3.41Å; T784-E788 WeakPolarHBondContact O-CG 3.46Å; T784-E788 PolarHBondContact O-N 2.91Å |
| 785 | V | 42.4 | Very low | 42.2 | Very low | 28 Ų | 28 | 80.7 Ų | 80.7 | 17% | 0.17 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -73.3 | -38.9 | 171.1 | 160.2 | 0 | 0 | 0 | 0 | 108.7 | V410 D781 F789 | V410-V785 HydrophobicContact CG1-CG1 3.96Å; V410-V785 HydrophobicContact CG1-CG2 4.42Å; D781-V785 WeakPolarHBondContact O-CB 3.3Å; D781-V785 WeakPolarHBondContact O-CG2 3.42Å; D781-V785 PolarHBondContact O-N 3.39Å; V785-F789 HydrophobicContact CG1-CD2 3.9Å; V785-F789 HydrophobicContact CG1-CE2 4.3Å; V785-F789 VanDerWaalsContact O-CB 3.3Å; V785-F789 WeakPolarHBondContact O-CB 3.5Å; V785-F789 WeakPolarHBondContact O-CD2 3.24Å; V785-F789 PolarHBondContact O-N 3.29Å |
| 786 | S | 43.9 | Very low | 41.6 | Very low | 68 Ų | 68 | 83.5 Ų | 83.5 | 48% | 0.476 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.2 | -51.9 | 168.2 | -49.8 | 0 | 0 | 0 | 0 | 109.4 | S790 | S786-S790 VanDerWaalsContact O-CA 3.25Å; S786-S790 WeakPolarHBondContact O-CA 3.37Å; S786-S790 WeakPolarHBondContact O-CB 3.2Å; S786-S790 PolarHBondContact O-N 3.46Å; S786-S790 PolarHBondContact O-OG 3.45Å |
| 787 | D | 43.2 | Very low | 41 | Very low | 89 Ų | 89 | 89.8 Ų | 89.8 | 48% | 0.476 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.8 | -36.6 | 179.6 | -73.2 | -23.4 | 0 | 0 | 0 | 113.7 | D783 Y791 | D783-D787 PolarHBondContact O-N 3.37Å; D783-D787 VanDerWaalsContact O-N 3.15Å; D787-Y791 HydrophobicContact CB-CD2 4.07Å; D787-Y791 VanDerWaalsContact O-CA 3.29Å; D787-Y791 WeakPolarHBondContact O-CA 3.42Å; D787-Y791 WeakPolarHBondContact O-CB 3.5Å; D787-Y791 WeakPolarHBondContact O-CD2 3.38Å; D787-Y791 PolarHBondContact O-N 3.25Å |
| 788 | E | 46.2 | Very low | 41.1 | Very low | 50 Ų | 50 | 87.5 Ų | 87.5 | 23% | 0.234 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -73.5 | -35.3 | -179.2 | -74.1 | -177.6 | 172.6 | 0 | 0 | 110.7 | R418 R489 T784 | R418-E788 IonicContact CZ-OE1 3.81Å; R418-E788 IonicContact NH1-OE1 2.63Å; R418-E788 PolarHBondContact NH1-OE1 3.46Å; R489-E788 PolarHBondContact NH1-O 3.01Å; R489-E788 PolarHBondContact NH2-O 3.18Å; T784-E788 WeakPolarHBondContact O-CA 3.24Å; T784-E788 WeakPolarHBondContact O-CB 3.41Å; T784-E788 WeakPolarHBondContact O-CG 3.46Å; T784-E788 PolarHBondContact O-N 2.91Å |
| 789 | F | 46 | Very low | 41.4 | Very low | 22 Ų | 22 | 86 Ų | 86 | 10% | 0.096 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -85.3 | -20.9 | 172.6 | -70 | -80.1 | 0 | 0 | 0 | 114.8 | V410 A414 I486 R489 V785 | V410-F789 HydrophobicContact CG2-CE2 3.82Å; V410-F789 HydrophobicContact CG2-CZ 3.95Å; A414-F789 HydrophobicContact CB-CD2 4.39Å; A414-F789 HydrophobicContact CB-CE1 4.46Å; A414-F789 HydrophobicContact CB-CE2 3.31Å; A414-F789 HydrophobicContact CB-CZ 3.35Å; I486-F789 HydrophobicContact CG1-CE1 3.95Å; I486-F789 HydrophobicContact CG1-CZ 4.23Å; R489-F789 VanDerWaalsContact CZ-CA 3.41Å; R489-F789 PolarHBondContact NH2-O 2.8Å; V785-F789 HydrophobicContact CG1-CD2 3.9Å; V785-F789 HydrophobicContact CG1-CE2 4.3Å; V785-F789 VanDerWaalsContact O-CB 3.3Å; V785-F789 WeakPolarHBondContact O-CB 3.5Å; V785-F789 WeakPolarHBondContact O-CD2 3.24Å; V785-F789 PolarHBondContact O-N 3.29Å |
| 790 | S | 41.6 | Very low | 41.9 | Very low | 78 Ų | 78 | 82.9 Ų | 82.9 | 55% | 0.545 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -103.3 | -10.2 | 178.7 | -44.9 | 0 | 0 | 0 | 0 | 114.1 | S786 S792 | S786-S790 VanDerWaalsContact O-CA 3.25Å; S786-S790 WeakPolarHBondContact O-CA 3.37Å; S786-S790 WeakPolarHBondContact O-CB 3.2Å; S786-S790 PolarHBondContact O-N 3.46Å; S786-S790 PolarHBondContact O-OG 3.45Å; S790-S792 PolarHBondContact O-N 3.09Å; S790-S792 PolarHBondContact O-OG 2.88Å |
| 791 | Y | 33 | Very low | 42.9 | Very low | 155 Ų | 155 | 84.7 Ų | 84.7 | 61% | 0.608 | 46% | 0.455 | S | S | * | . | trans | -64.2 | 90.3 | 171.6 | -116.3 | -99.8 | 0 | 0 | 0 | 108.1 | D787 Q793 | D787-Y791 HydrophobicContact CB-CD2 4.07Å; D787-Y791 VanDerWaalsContact O-CA 3.29Å; D787-Y791 WeakPolarHBondContact O-CA 3.42Å; D787-Y791 WeakPolarHBondContact O-CB 3.5Å; D787-Y791 WeakPolarHBondContact O-CD2 3.38Å; D787-Y791 PolarHBondContact O-N 3.25Å; Y791-Q793 HydrophobicContact CD1-CB 4.23Å; Y791-Q793 PolarHBondContact O-N 3.39Å | ||
| 792 | S | 33.7 | Very low | 43.8 | Very low | 106 Ų | 106 | 84.6 Ų | 84.6 | 74% | 0.741 | 46% | 0.456 | S | S | * | . | trans | -77.5 | 61.8 | 163.3 | -53.5 | 0 | 0 | 0 | 0 | 106.3 | S790 E794 | S790-S792 PolarHBondContact O-N 3.09Å; S790-S792 PolarHBondContact O-OG 2.88Å; S792-E794 PolarHBondContact O-N 3.3Å | ||
| 793 | Q | 34.6 | Very low | 45.2 | Very low | 140 Ų | 140 | 81 Ų | 81 | 65% | 0.654 | 43% | 0.426 | S | S | * | . | trans | -61.2 | 113.8 | 165.3 | -148.1 | 177.5 | 15.8 | 0 | 0 | 104.6 | Y791 V795 | Y791-Q793 HydrophobicContact CD1-CB 4.23Å; Y791-Q793 PolarHBondContact O-N 3.39Å; Q793-V795 PolarHBondContact O-N 3.03Å | ||
| 794 | E | 33.4 | Very low | 46.2 | Very low | 188 Ų | 188 | 76.5 Ų | 76.5 | 88% | 0.879 | 40% | 0.403 | S | S | * | . | trans | -63.5 | 51.6 | -179.5 | -63.8 | 179.1 | 157.1 | 0 | 0 | 111.7 | S792 E796 | S792-E794 PolarHBondContact O-N 3.3Å; E794-E796 PolarHBondContact O-N 3Å | ||
| 795 | V | 39.8 | Very low | 47.2 | Very low | 69 Ų | 69 | 80.9 Ų | 80.9 | 42% | 0.418 | 42% | 0.42 | S | S | . | . | trans | -63 | 98.6 | 150.1 | -178 | 0 | 0 | 0 | 0 | 103 | Q793 Q797 | Q793-V795 PolarHBondContact O-N 3.03Å; V795-Q797 PolarHBondContact O-N 3.4Å | ||
| 796 | E | 39.7 | Very low | 48.3 | Very low | 153 Ų | 153 | 82.3 Ų | 82.3 | 72% | 0.715 | 42% | 0.422 | S | S | * | . | trans | -32 | 103.9 | 176.6 | -80.7 | -176.2 | 154.4 | 0 | 0 | 108 | E794 P798 | E794-E796 PolarHBondContact O-N 3Å; E796-P798 VanDerWaalsContact O-CD 3.25Å; E796-P798 WeakPolarHBondContact O-CD 3.38Å | ||
| 797 | Q | 43.2 | Very low | 49.4 | Very low | 146 Ų | 146 | 79.6 Ų | 79.6 | 68% | 0.682 | 40% | 0.402 | S | S | * | . | trans | -56.5 | 120.9 | 177.9 | -74.3 | -177.9 | -2.8 | 0 | 0 | 103.8 | V795 S799 | V795-Q797 PolarHBondContact O-N 3.4Å; Q797-S799 PolarHBondContact O-N 2.82Å | ||
| 798 | P | 48.2 | Very low | 50.2 | Low | 6 Ų | 6 | 76.2 Ų | 76.2 | 4% | 0.039 | 39% | 0.386 | C | S | . | . | trans | -63 | 93.7 | -178 | 21.5 | -29.4 | 0 | 0 | 0 | 105.9 | K495 C499 E796 | K495-P798 HydrophobicContact CD-CG 4.21Å; K495-P798 WeakPolarHBondContact CE-O 3.2Å; K495-P798 HydrophobicContact CG-CG 4.19Å; K495-P798 PolarHBondContact NZ-O 3.36Å; C499-P798 HydrophobicContact CB-CB 3.99Å; C499-P798 HydrophobicContact CB-CG 4.28Å; E796-P798 VanDerWaalsContact O-CD 3.25Å; E796-P798 WeakPolarHBondContact O-CD 3.38Å | ||
| 799 | S | 53.5 | Low | 50.7 | Low | 48 Ų | 48 | 78.3 Ų | 78.3 | 34% | 0.336 | 40% | 0.399 | S | S | . | . | trans | -75.8 | 160.4 | -179.4 | 66 | 0 | 0 | 0 | 0 | 107.1 | Q797 Q801 S802 | Q797-S799 PolarHBondContact O-N 2.82Å; S799-Q801 PolarHBondContact O-N 3.2Å; S799-Q801 WeakPolarHBondContact OG-CB 3.42Å; S799-Q801 PolarHBondContact OG-N 2.92Å; S799-S802 PolarHBondContact N-OG 2.83Å; S799-S802 PolarHBondContact O-N 2.76Å; S799-S802 VanDerWaalsContact O-N 3.14Å; S799-S802 PolarHBondContact O-OG 3.14Å | ||
| 800 | A | 53.5 | Low | 51.1 | Low | 5 Ų | 5 | 78.6 Ų | 78.6 | 4% | 0.041 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -51.9 | -29.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111 | K588 S592 M803 | K588-A800 HydrophobicContact CB-CB 4.03Å; S592-A800 WeakPolarHBondContact CB-O 3.45Å; S592-A800 VanDerWaalsContact OG-C 3.23Å; S592-A800 PolarHBondContact OG-O 3.31Å; A800-M803 WeakPolarHBondContact O-CB 3.39Å; A800-M803 PolarHBondContact O-N 3.26Å |
| 801 | Q | 58.6 | Low | 51.7 | Low | 165 Ų | 165 | 77 Ų | 77 | 77% | 0.771 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -70.5 | -27.5 | -178.3 | -61.1 | 174.6 | -17.8 | 0 | 0 | 114.8 | S799 M803 P804 | S799-Q801 PolarHBondContact O-N 3.2Å; S799-Q801 WeakPolarHBondContact OG-CB 3.42Å; S799-Q801 PolarHBondContact OG-N 2.92Å; Q801-M803 VanDerWaalsContact C-N 3.32Å; Q801-P804 WeakPolarHBondContact O-CD 3.18Å |
| 802 | S | 62.5 | Low | 52.5 | Low | 20 Ų | 20 | 77 Ų | 77 | 14% | 0.14 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -84.8 | -6.5 | 177.3 | 64.6 | 0 | 0 | 0 | 0 | 113.7 | S799 P804 Q805 R806 | S799-S802 PolarHBondContact N-OG 2.83Å; S799-S802 PolarHBondContact O-N 2.76Å; S799-S802 VanDerWaalsContact O-N 3.14Å; S799-S802 PolarHBondContact O-OG 3.14Å; S802-P804 VanDerWaalsContact C-CD 3.47Å; S802-Q805 PolarHBondContact O-N 3.14Å; S802-R806 PolarHBondContact O-N 2.94Å |
| 803 | M | 69.3 | Low | 53.1 | Low | 3 Ų | 3 | 77.5 Ų | 77.5 | 2% | 0.015 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -56.6 | -43 | 179.8 | -172.8 | -173.1 | -82.4 | 0 | 0 | 114 | V550 V553 F554 I593 A800 Q801 Q805 R806 I807 | V550-M803 HydrophobicContact CB-CE 3.91Å; V550-M803 HydrophobicContact CG1-CE 3.67Å; V550-M803 HydrophobicContact CG2-CE 3.66Å; V553-M803 HydrophobicContact CB-CE 4.36Å; V553-M803 HydrophobicContact CG1-CE 4.44Å; V553-M803 HydrophobicContact CG1-SD 4.1Å; F554-M803 HydrophobicContact CE2-CE 4.08Å; F554-M803 HydrophobicContact CE2-CG 3.96Å; F554-M803 HydrophobicContact CZ-CG 4.13Å; I593-M803 HydrophobicContact CG1-SD 4.04Å; A800-M803 WeakPolarHBondContact O-CB 3.39Å; A800-M803 PolarHBondContact O-N 3.26Å; Q801-M803 VanDerWaalsContact C-N 3.32Å; M803-Q805 PolarHBondContact O-N 3.43Å; M803-R806 PolarHBondContact O-N 3.49Å; M803-I807 HydrophobicContact CG-CD1 3.63Å; M803-I807 HydrophobicContact CG-CG1 4.17Å; M803-I807 WeakPolarHBondContact O-CG1 3.38Å; M803-I807 PolarHBondContact O-N 3.02Å; M803-I807 HydrophobicContact SD-CD1 4.18Å |
| 804 | P | 60.7 | Low | 53.6 | Low | 21 Ų | 21 | 74.2 Ų | 74.2 | 14% | 0.136 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.7 | -45 | -178.4 | -21.4 | 33 | 0 | 0 | 0 | 113.3 | R595 A596 Q801 S802 R806 I807 A808 | R595-P804 HydrophobicContact CB-CG 4.14Å; A596-P804 HydrophobicContact CB-CB 4.25Å; Q801-P804 WeakPolarHBondContact O-CD 3.18Å; S802-P804 VanDerWaalsContact C-CD 3.47Å; P804-R806 VanDerWaalsContact C-N 3.31Å; P804-R806 PolarHBondContact O-N 3.48Å; P804-I807 PolarHBondContact O-N 3.16Å; P804-A808 PolarHBondContact O-N 3.31Å |
| 805 | Q | 64.6 | Low | 53.9 | Low | 139 Ų | 139 | 68.7 Ų | 68.7 | 65% | 0.65 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -63.3 | -37.7 | 178.2 | -70 | 172.5 | -15.6 | 0 | 0 | 111.8 | S802 M803 A808 L809 | S802-Q805 PolarHBondContact O-N 3.14Å; M803-Q805 PolarHBondContact O-N 3.43Å; Q805-A808 PolarHBondContact O-N 3.38Å; Q805-L809 WeakPolarHBondContact O-CG 3.34Å; Q805-L809 PolarHBondContact O-N 3.38Å; Q805-L809 VanDerWaalsContact O-N 3.11Å |
| 806 | R | 65.2 | Low | 53.9 | Low | 58 Ų | 58 | 69.5 Ų | 69.5 | 22% | 0.219 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -73.1 | -36.2 | 177.7 | -70.3 | -169.8 | -172.5 | -144.1 | 1.9 | 113 | C499 F554 S802 M803 P804 A808 L809 L810 | C499-R806 VanDerWaalsContact C-NH1 3.27Å; C499-R806 WeakPolarHBondContact O-CD 3.47Å; C499-R806 PolarHBondContact O-NH1 3.13Å; F554-R806 HydrophobicContact CE1-CB 4.34Å; F554-R806 HydrophobicContact CZ-CB 4.14Å; S802-R806 PolarHBondContact O-N 2.94Å; M803-R806 PolarHBondContact O-N 3.49Å; P804-R806 VanDerWaalsContact C-N 3.31Å; P804-R806 PolarHBondContact O-N 3.48Å; R806-A808 VanDerWaalsContact C-N 3.29Å; R806-L809 PolarHBondContact O-N 2.93Å; R806-L810 WeakPolarHBondContact O-CG 3.29Å; R806-L810 PolarHBondContact O-N 3.14Å; R806-L810 VanDerWaalsContact O-N 3.17Å |
| 807 | I | 66.9 | Low | 53.7 | Low | 11 Ų | 11 | 70.3 Ų | 70.3 | 6% | 0.056 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.5 | -40.1 | 173.5 | -68.2 | 171.8 | 0 | 0 | 0 | 109.9 | V553 L557 A596 E600 M803 P804 L810 S811 L826 | V553-I807 HydrophobicContact CG1-CD1 4.42Å; L557-I807 HydrophobicContact CD1-CD1 4.08Å; L557-I807 HydrophobicContact CD1-CG1 3.95Å; L557-I807 HydrophobicContact CD1-CG2 4.25Å; A596-I807 HydrophobicContact CB-CB 4.31Å; A596-I807 HydrophobicContact CB-CD1 3.83Å; A596-I807 HydrophobicContact CB-CG2 4.25Å; E600-I807 HydrophobicContact CG-CG2 4.35Å; M803-I807 HydrophobicContact CG-CD1 3.63Å; M803-I807 HydrophobicContact CG-CG1 4.17Å; M803-I807 WeakPolarHBondContact O-CG1 3.38Å; M803-I807 PolarHBondContact O-N 3.02Å; M803-I807 HydrophobicContact SD-CD1 4.18Å; P804-I807 PolarHBondContact O-N 3.16Å; I807-L810 PolarHBondContact O-N 3.43Å; I807-S811 PolarHBondContact O-N 3.34Å; I807-L826 HydrophobicContact CD1-CD1 4.3Å; I807-L826 HydrophobicContact CG2-CD1 4.37Å; I807-L826 HydrophobicContact CG2-CD2 4.24Å |
| 808 | A | 59.7 | Low | 53.2 | Low | 17 Ų | 17 | 66 Ų | 66 | 14% | 0.14 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L599 E600 P804 Q805 R806 L810 S811 E812 | L599-A808 HydrophobicContact CD2-CB 4.11Å; E600-A808 VanDerWaalsContact OE1-CA 3.22Å; E600-A808 WeakPolarHBondContact OE1-CA 3.37Å; E600-A808 WeakPolarHBondContact OE1-CB 3.35Å; P804-A808 PolarHBondContact O-N 3.31Å; Q805-A808 PolarHBondContact O-N 3.38Å; R806-A808 VanDerWaalsContact C-N 3.29Å; A808-L810 VanDerWaalsContact C-N 3.31Å; A808-L810 PolarHBondContact O-N 3.21Å; A808-S811 WeakPolarHBondContact O-CB 3.48Å; A808-S811 PolarHBondContact O-N 2.86Å; A808-S811 VanDerWaalsContact O-N 3.11Å; A808-E812 PolarHBondContact O-N 2.88Å |
| 809 | L | 56.5 | Low | 52.6 | Low | 95 Ų | 95 | 72.6 Ų | 72.6 | 50% | 0.497 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.6 | -32.9 | 176.5 | -72.2 | 169.8 | 0 | 0 | 0 | 113.6 | Q805 R806 S811 E812 Q813 | Q805-L809 WeakPolarHBondContact O-CG 3.34Å; Q805-L809 PolarHBondContact O-N 3.38Å; Q805-L809 VanDerWaalsContact O-N 3.11Å; R806-L809 PolarHBondContact O-N 2.93Å; L809-S811 VanDerWaalsContact C-N 3.3Å; L809-E812 PolarHBondContact O-N 3.3Å; L809-Q813 WeakPolarHBondContact O-CG 3.44Å; L809-Q813 PolarHBondContact O-N 3.31Å |
| 810 | L | 56 | Low | 51.9 | Low | 28 Ų | 28 | 73.7 Ų | 73.7 | 15% | 0.147 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -65 | -37.3 | 173.7 | -70.3 | 169.3 | 0 | 0 | 0 | 111.1 | F554 R806 I807 A808 | F554-L810 HydrophobicContact CD1-CD1 4.05Å; F554-L810 HydrophobicContact CE1-CD1 3.99Å; R806-L810 WeakPolarHBondContact O-CG 3.29Å; R806-L810 PolarHBondContact O-N 3.14Å; R806-L810 VanDerWaalsContact O-N 3.17Å; I807-L810 PolarHBondContact O-N 3.43Å; A808-L810 VanDerWaalsContact C-N 3.31Å; A808-L810 PolarHBondContact O-N 3.21Å |
| 811 | S | 52.8 | Low | 51.8 | Low | 44 Ų | 44 | 77.9 Ų | 77.9 | 31% | 0.308 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 177.5 | -157.8 | 0 | 0 | 0 | 0 | 112.2 | E600 I807 A808 L809 | E600-S811 WeakPolarHBondContact OE2-CB 3.41Å; E600-S811 PolarHBondContact OE2-OG 3.23Å; I807-S811 PolarHBondContact O-N 3.34Å; A808-S811 WeakPolarHBondContact O-CB 3.48Å; A808-S811 PolarHBondContact O-N 2.86Å; A808-S811 VanDerWaalsContact O-N 3.11Å; L809-S811 VanDerWaalsContact C-N 3.3Å |
| 812 | E | 49.5 | Very low | 52.1 | Low | 154 Ų | 154 | 71.8 Ų | 71.8 | 72% | 0.72 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -69.6 | -34.1 | 179.7 | -70 | -172.9 | 165.6 | 0 | 0 | 113.5 | A808 L809 G815 | A808-E812 PolarHBondContact O-N 2.88Å; L809-E812 PolarHBondContact O-N 3.3Å; E812-G815 PolarHBondContact O-N 3.38Å |
| 813 | Q | 47.9 | Very low | 52.5 | Low | 117 Ų | 117 | 73 Ų | 73 | 55% | 0.547 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -73.8 | -27 | -175.9 | -73.4 | -176.9 | -2.2 | 0 | 0 | 113.5 | L809 G815 | L809-Q813 WeakPolarHBondContact O-CG 3.44Å; L809-Q813 PolarHBondContact O-N 3.31Å; Q813-G815 PolarHBondContact O-N 2.99Å |
| 814 | D | 43.6 | Very low | 52.6 | Low | 72 Ų | 72 | 80 Ų | 80 | 39% | 0.385 | 48% | 0.482 | S | S | . | . | G | 310 helix | trans | -76.2 | -7.2 | 178.1 | -79.7 | -22.7 | 0 | 0 | 0 | 113.7 | A816 N817 | D814-A816 PolarHBondContact O-N 3.25Å; D814-N817 PolarHBondContact O-N 3.48Å |
| 815 | G | 39.3 | Very low | 53.5 | Low | 72 Ų | 72 | 80.5 Ų | 80.5 | 74% | 0.742 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -61.8 | -11.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | E812 Q813 | E812-G815 PolarHBondContact O-N 3.38Å; Q813-G815 PolarHBondContact O-N 2.99Å |
| 816 | A | 40.4 | Very low | 54.5 | Low | 86 Ų | 86 | 74 Ų | 74 | 71% | 0.711 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -89.4 | -24.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | D814 | D814-A816 PolarHBondContact O-N 3.25Š|
| 817 | N | 35.1 | Very low | 55.5 | Low | 169 Ų | 169 | 72.5 Ų | 72.5 | 90% | 0.904 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -171.9 | 84.1 | 179 | -92.8 | -28.6 | 0 | 0 | 0 | 111.4 | D814 | D814-N817 PolarHBondContact O-N 3.48Š|
| 818 | G | 33.7 | Very low | 56.4 | Low | 57 Ų | 57 | 75.5 Ų | 75.5 | 59% | 0.588 | 48% | 0.479 | S | S | * | . | S | Bend | trans | 169.7 | 128 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 819 | N | 35.4 | Very low | 57.8 | Low | 144 Ų | 144 | 75 Ų | 75 | 77% | 0.77 | 47% | 0.474 | S | S | * | . | trans | -48.5 | 137.2 | -177.8 | -62.3 | -34.6 | 0 | 0 | 0 | 113.1 | T821 | N819-T821 HydrophobicContact CB-CG2 4.34Å; N819-T821 WeakPolarHBondContact O-CG2 3.31Å; N819-T821 PolarHBondContact O-N 3.27Å; N819-T821 PolarHBondContact O-OG1 3.47Å | ||
| 820 | G | 38.5 | Very low | 59.5 | Low | 70 Ų | 70 | 70.8 Ų | 70.8 | 72% | 0.722 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -58.9 | 59.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 821 | T | 52.1 | Low | 61.1 | Low | 93 Ų | 93 | 74.9 Ų | 74.9 | 57% | 0.571 | 47% | 0.468 | S | S | * | . | trans | -94.1 | -16.7 | -174.3 | 50.6 | 0 | 0 | 0 | 0 | 113.3 | N819 E824 A825 | N819-T821 HydrophobicContact CB-CG2 4.34Å; N819-T821 WeakPolarHBondContact O-CG2 3.31Å; N819-T821 PolarHBondContact O-N 3.27Å; N819-T821 PolarHBondContact O-OG1 3.47Å; T821-E824 PolarHBondContact O-N 3.17Å; T821-A825 WeakPolarHBondContact O-CB 3.48Å; T821-A825 PolarHBondContact O-N 2.87Å | ||
| 822 | A | 64.7 | Low | 62.9 | Low | 37 Ų | 37 | 77.5 Ų | 77.5 | 31% | 0.306 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.4 | -48.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | E824 A825 L826 | A822-E824 PolarHBondContact O-N 3.45Å; A822-A825 PolarHBondContact O-N 3.31Å; A822-L826 PolarHBondContact O-N 2.88Å |
| 823 | P | 70.3 | Confident | 65 | Low | 47 Ų | 47 | 70.2 Ų | 70.2 | 31% | 0.305 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -68.4 | -35.9 | -178.7 | 22.6 | -31.1 | 0 | 0 | 0 | 112.8 | V601 L826 G827 | V601-P823 HydrophobicContact CG2-CB 3.9Å; P823-L826 PolarHBondContact O-N 3.39Å; P823-G827 PolarHBondContact O-N 3.03Å; P823-G827 VanDerWaalsContact O-N 3.16Å |
| 824 | E | 73 | Confident | 67 | Low | 149 Ų | 149 | 64.8 Ų | 64.8 | 70% | 0.696 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -65.1 | -42.8 | 174.8 | -66.9 | -175.3 | 172.1 | 0 | 0 | 111.3 | T821 A822 L826 G827 V828 | T821-E824 PolarHBondContact O-N 3.17Å; A822-E824 PolarHBondContact O-N 3.45Å; E824-L826 VanDerWaalsContact C-N 3.34Å; E824-L826 PolarHBondContact O-N 2.84Å; E824-G827 PolarHBondContact O-N 2.98Å; E824-V828 WeakPolarHBondContact O-CG2 3.35Å; E824-V828 PolarHBondContact O-N 3.39Å; E824-V828 VanDerWaalsContact O-N 3.12Å |
| 825 | A | 78.8 | Confident | 69.3 | Low | 31 Ų | 31 | 63.9 Ų | 63.9 | 26% | 0.256 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.5 | -44 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L557 T821 A822 G827 V828 V829 | L557-A825 HydrophobicContact CD2-CB 4.35Å; T821-A825 WeakPolarHBondContact O-CB 3.48Å; T821-A825 PolarHBondContact O-N 2.87Å; A822-A825 PolarHBondContact O-N 3.31Å; A825-G827 VanDerWaalsContact C-N 3.33Å; A825-G827 PolarHBondContact O-N 2.92Å; A825-V828 PolarHBondContact O-N 2.98Å; A825-V829 VanDerWaalsContact O-CG2 3.29Å; A825-V829 WeakPolarHBondContact O-CG2 3.38Å; A825-V829 PolarHBondContact O-N 3.31Å |
| 826 | L | 85.4 | Confident | 71.8 | Confident | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.01 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.6 | -41.5 | 177.2 | -174.3 | 62.8 | 0 | 0 | 0 | 112.4 | L557 I593 A596 L597 E600 V601 I807 A822 P823 E824 V829 W830 | L557-L826 HydrophobicContact CD1-CD1 4.31Å; L557-L826 HydrophobicContact CD2-CB 4.15Å; L557-L826 HydrophobicContact CD2-CD1 4.12Å; I593-L826 HydrophobicContact CG2-CD1 3.99Å; A596-L826 HydrophobicContact CB-CD2 4.21Å; L597-L826 HydrophobicContact CD1-CD2 4.38Å; L597-L826 HydrophobicContact CD1-CG 4.18Å; E600-L826 HydrophobicContact CB-CD2 4.06Å; E600-L826 HydrophobicContact CG-CD2 4.37Å; V601-L826 HydrophobicContact CG2-CD2 4.43Å; I807-L826 HydrophobicContact CD1-CD1 4.3Å; I807-L826 HydrophobicContact CG2-CD1 4.37Å; I807-L826 HydrophobicContact CG2-CD2 4.24Å; A822-L826 PolarHBondContact O-N 2.88Å; P823-L826 PolarHBondContact O-N 3.39Å; E824-L826 VanDerWaalsContact C-N 3.34Å; E824-L826 PolarHBondContact O-N 2.84Å; L826-V829 PolarHBondContact O-N 2.74Å; L826-W830 WeakPolarHBondContact O-CB 3.4Å; L826-W830 PolarHBondContact O-N 3.38Å |
| 827 | G | 85.2 | Confident | 74.1 | Confident | 27 Ų | 27 | 56.6 Ų | 56.6 | 28% | 0.278 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | P823 E824 A825 K831 | P823-G827 PolarHBondContact O-N 3.03Å; P823-G827 VanDerWaalsContact O-N 3.16Å; E824-G827 PolarHBondContact O-N 2.98Å; A825-G827 VanDerWaalsContact C-N 3.33Å; A825-G827 PolarHBondContact O-N 2.92Å; G827-K831 PolarHBondContact O-N 3.12Å; G827-K831 VanDerWaalsContact O-N 3.16Å |
| 828 | V | 86.5 | Confident | 76.7 | Confident | 75 Ų | 75 | 49.1 Ų | 49.1 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.9 | -43.6 | 175.9 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | E824 A825 K831 R832 | E824-V828 WeakPolarHBondContact O-CG2 3.35Å; E824-V828 PolarHBondContact O-N 3.39Å; E824-V828 VanDerWaalsContact O-N 3.12Å; A825-V828 PolarHBondContact O-N 2.98Å; V828-K831 PolarHBondContact O-N 3.45Å; V828-R832 WeakPolarHBondContact O-CG 3.05Å; V828-R832 PolarHBondContact O-N 3.1Å |
| 829 | V | 89 | Confident | 79.3 | Confident | 5 Ų | 5 | 48.2 Ų | 48.2 | 3% | 0.03 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.3 | -48 | 178.2 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | V553 L557 A825 L826 K831 R832 I833 | V553-V829 HydrophobicContact CG1-CG1 4.26Å; V553-V829 HydrophobicContact CG2-CG1 4.33Å; L557-V829 HydrophobicContact CD2-CG2 4.35Å; A825-V829 VanDerWaalsContact O-CG2 3.29Å; A825-V829 WeakPolarHBondContact O-CG2 3.38Å; A825-V829 PolarHBondContact O-N 3.31Å; L826-V829 PolarHBondContact O-N 2.74Å; V829-K831 VanDerWaalsContact C-N 3.29Å; V829-K831 PolarHBondContact O-N 3.23Å; V829-R832 PolarHBondContact O-N 3.46Å; V829-R832 VanDerWaalsContact O-N 3.13Å; V829-I833 HydrophobicContact CG1-CG1 4.12Å; V829-I833 WeakPolarHBondContact O-CG1 3.29Å; V829-I833 PolarHBondContact O-N 2.97Å |
| 830 | W | 92.1 | Very high | 81.8 | Confident | 7 Ų | 7 | 41.5 Ų | 41.5 | 3% | 0.027 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -52.3 | -48 | 175.9 | 177.5 | 88.4 | 0 | 0 | 0 | 111.5 | M590 I593 T594 L597 L826 R832 I833 L834 V859 L863 P879 L882 | M590-W830 HydrophobicContact CE-CG 4.46Å; M590-W830 HydrophobicContact CE-CZ2 4.47Å; I593-W830 HydrophobicContact CG2-CB 3.81Å; I593-W830 HydrophobicContact CG2-CG 4.21Å; T594-W830 PolarHBondContact OG1-NE1 3.43Å; L597-W830 HydrophobicContact CD2-CD2 4.32Å; L597-W830 HydrophobicContact CD2-CG 4.25Å; L826-W830 WeakPolarHBondContact O-CB 3.4Å; L826-W830 PolarHBondContact O-N 3.38Å; W830-R832 PolarHBondContact O-N 3.19Å; W830-I833 PolarHBondContact O-N 2.79Å; W830-L834 HydrophobicContact CH2-CD2 3.78Å; W830-L834 HydrophobicContact CZ2-CD2 4.25Å; W830-L834 HydrophobicContact CZ3-CD2 4.08Å; W830-L834 WeakPolarHBondContact O-CB 3.43Å; W830-L834 PolarHBondContact O-N 2.94Å; W830-V859 HydrophobicContact CZ2-CG1 3.78Å; W830-L863 HydrophobicContact CH2-CD1 4.12Å; W830-L863 HydrophobicContact CZ2-CD1 3.97Å; W830-L863 HydrophobicContact CZ2-CD2 4.27Å; W830-P879 HydrophobicContact CH2-CG 4.09Å; W830-P879 HydrophobicContact CZ3-CG 3.91Å; W830-L882 HydrophobicContact CH2-CD2 4.38Å; W830-L882 HydrophobicContact CZ3-CD2 4.07Å |
| 831 | K | 90.7 | Very high | 84.4 | Confident | 115 Ų | 115 | 38.8 Ų | 38.8 | 50% | 0.5 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.2 | -40.1 | 179.3 | -173.9 | 176.1 | 179.3 | 178.1 | 0 | 112.6 | G827 V828 V829 C835 | G827-K831 PolarHBondContact O-N 3.12Å; G827-K831 VanDerWaalsContact O-N 3.16Å; V828-K831 PolarHBondContact O-N 3.45Å; V829-K831 VanDerWaalsContact C-N 3.29Å; V829-K831 PolarHBondContact O-N 3.23Å; K831-C835 PolarHBondContact O-N 2.9Å; K831-C835 PolarHBondContact O-SG 2.9Å; K831-C835 VanDerWaalsContact O-SG 3.4Å |
| 832 | R | 90.4 | Very high | 86.2 | Confident | 99 Ų | 99 | 43.9 Ų | 43.9 | 37% | 0.374 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -68.7 | -40.5 | 179.2 | -74.2 | -177.5 | 175.3 | 178.8 | 0.9 | 112.3 | W566 V828 V829 W830 C835 C836 | W566-R832 HydrophobicContact CE3-CB 4.01Å; W566-R832 HydrophobicContact CH2-CB 3.83Å; W566-R832 HydrophobicContact CZ2-CB 4.39Å; W566-R832 HydrophobicContact CZ3-CB 3.64Å; V828-R832 WeakPolarHBondContact O-CG 3.05Å; V828-R832 PolarHBondContact O-N 3.1Å; V829-R832 PolarHBondContact O-N 3.46Å; V829-R832 VanDerWaalsContact O-N 3.13Å; W830-R832 PolarHBondContact O-N 3.19Å; R832-C835 CarbonylContact O-C 3.55Å; R832-C835 PolarHBondContact O-N 3.5Å; R832-C836 PolarHBondContact O-N 3.48Å; R832-C836 VanDerWaalsContact O-N 3.12Å |
| 833 | I | 92.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -70.3 | -37.6 | 176.9 | -59.5 | -66.8 | 0 | 0 | 0 | 110.9 | V553 W566 L569 W586 V589 M590 I593 V829 W830 C835 C836 | V553-I833 HydrophobicContact CG2-CD1 4.42Å; V553-I833 HydrophobicContact CG2-CG1 4.25Å; W566-I833 HydrophobicContact CH2-CD1 4.08Å; W566-I833 HydrophobicContact CZ3-CD1 3.91Å; L569-I833 HydrophobicContact CD2-CD1 4.44Å; W586-I833 PolarHBondContact NE1-O 3.49Å; V589-I833 HydrophobicContact CG1-CG2 4.32Å; M590-I833 HydrophobicContact CG-CG2 4.38Å; M590-I833 HydrophobicContact SD-CB 3.99Å; M590-I833 HydrophobicContact SD-CG2 3.59Å; M590-I833 VanDerWaalsContact SD-CG2 3.59Å; I593-I833 HydrophobicContact CD1-CB 4.26Å; I593-I833 HydrophobicContact CD1-CG1 4.19Å; I593-I833 HydrophobicContact CD1-CG2 4.19Å; V829-I833 HydrophobicContact CG1-CG1 4.12Å; V829-I833 WeakPolarHBondContact O-CG1 3.29Å; V829-I833 PolarHBondContact O-N 2.97Å; W830-I833 PolarHBondContact O-N 2.79Å; I833-C835 PolarHBondContact O-N 3.42Å; I833-C836 PolarHBondContact O-N 2.88Å; I833-C836 PolarHBondContact O-SG 3.16Å |
| 834 | L | 91.3 | Very high | 88 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.5 | -40.8 | 172.8 | 179.7 | 67.6 | 0 | 0 | 0 | 111.4 | W586 M590 W830 I856 L882 L883 W886 | W586-L834 HydrophobicContact CZ2-CD1 4.32Å; M590-L834 HydrophobicContact CE-CB 3.79Å; M590-L834 HydrophobicContact CE-CD1 3.85Å; M590-L834 HydrophobicContact CE-CG 4.39Å; M590-L834 HydrophobicContact SD-CB 4.22Å; M590-L834 PolarHBondContact SD-N 3.16Å; W830-L834 HydrophobicContact CH2-CD2 3.78Å; W830-L834 HydrophobicContact CZ2-CD2 4.25Å; W830-L834 HydrophobicContact CZ3-CD2 4.08Å; W830-L834 WeakPolarHBondContact O-CB 3.43Å; W830-L834 PolarHBondContact O-N 2.94Å; L834-I856 HydrophobicContact CD1-CD1 4.06Å; L834-L882 HydrophobicContact CD2-CD2 3.89Å; L834-L883 HydrophobicContact CD1-CD2 4.44Å; L834-L883 HydrophobicContact CD2-CD2 4.12Å; L834-W886 HydrophobicContact CD1-CZ3 4.19Å; L834-W886 HydrophobicContact CG-CH2 4.28Å; L834-W886 HydrophobicContact CG-CZ3 4.18Å |
| 835 | C | 91 | Very high | 88.8 | Confident | 53 Ų | 53 | 39.8 Ų | 39.8 | 36% | 0.358 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 3.2 | -177.7 | -60.9 | 0 | 0 | 0 | 0 | 114.6 | K831 R832 I833 L837 G838 | K831-C835 PolarHBondContact O-N 2.9Å; K831-C835 PolarHBondContact O-SG 2.9Å; K831-C835 VanDerWaalsContact O-SG 3.4Å; R832-C835 CarbonylContact O-C 3.55Å; R832-C835 PolarHBondContact O-N 3.5Å; I833-C835 PolarHBondContact O-N 3.42Å; C835-L837 VanDerWaalsContact C-N 3.28Å; C835-L837 PolarHBondContact O-N 3.36Å; C835-G838 PolarHBondContact O-N 3.37Å |
| 836 | C | 90.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -25.3 | -170.6 | 74.9 | 0 | 0 | 0 | 0 | 113.6 | L569 C573 R832 I833 G838 | L569-C836 HydrophobicContact CD2-CB 4.35Å; C573-C836 WeakPolarHBondContact CB-O 3.44Å; R832-C836 PolarHBondContact O-N 3.48Å; R832-C836 VanDerWaalsContact O-N 3.12Å; I833-C836 PolarHBondContact O-N 2.88Å; I833-C836 PolarHBondContact O-SG 3.16Å; C836-G838 PolarHBondContact O-N 3.02Å |
| 837 | L | 90.2 | Very high | 89.6 | Confident | 6 Ų | 6 | 47.7 Ų | 47.7 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -2.1 | 174.3 | -55.6 | -173.2 | 0 | 0 | 0 | 112.9 | C573 L582 W586 C835 M852 | C573-L837 HydrophobicContact CB-CD2 3.92Å; L582-L837 HydrophobicContact CD1-CD2 4.2Å; L582-L837 HydrophobicContact CD2-CD2 3.91Å; L582-L837 HydrophobicContact CG-CD2 3.97Å; W586-L837 HydrophobicContact CB-CD1 4.3Å; W586-L837 HydrophobicContact CD2-CD1 3.47Å; W586-L837 VanDerWaalsContact CD2-CD1 3.47Å; W586-L837 HydrophobicContact CD2-CG 4.16Å; W586-L837 HydrophobicContact CE3-CD1 3.61Å; W586-L837 HydrophobicContact CG-CD1 3.78Å; W586-L837 HydrophobicContact CG-CG 4.16Å; W586-L837 HydrophobicContact CH2-CD1 4.44Å; W586-L837 HydrophobicContact CZ2-CD1 4.35Å; W586-L837 HydrophobicContact CZ3-CD1 4.08Å; C835-L837 VanDerWaalsContact C-N 3.28Å; C835-L837 PolarHBondContact O-N 3.36Å; L837-M852 HydrophobicContact CD1-CE 3.95Å |
| 838 | G | 88.2 | Confident | 89.9 | Confident | 12 Ų | 12 | 47.1 Ų | 47.1 | 12% | 0.124 | 24% | 0.237 | C | C | . | . | trans | 77.5 | -148.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | C835 C836 I840 | C835-G838 PolarHBondContact O-N 3.37Å; C836-G838 PolarHBondContact O-N 3.02Å; G838-I840 PolarHBondContact O-N 2.97Å | ||
| 839 | N | 88.5 | Confident | 90.3 | Very high | 38 Ų | 38 | 43.5 Ų | 43.5 | 20% | 0.203 | 22% | 0.215 | C | C | . | . | trans | -80.2 | 111 | 174.9 | -174.7 | -1.9 | 0 | 0 | 0 | 109.5 | N841 R842 E889 | N839-N841 PolarHBondContact O-N 3.22Å; N839-N841 VanDerWaalsContact O-N 3.16Å; N839-N841 WeakPolarHBondContact OD1-CB 3.34Å; N839-N841 PolarHBondContact OD1-N 3.47Å; N839-N841 VanDerWaalsContact OD1-N 3.07Å; N839-R842 HydrophobicContact CB-CG 4.04Å; N839-R842 WeakPolarHBondContact O-CB 3.43Å; N839-R842 PolarHBondContact O-N 3.45Å; N839-E889 PolarHBondContact ND2-OE1 3.42Å; N839-E889 PolarHBondContact ND2-OE2 2.68Å; N839-E889 PolarHBondContact OD1-OE2 2.63Å | ||
| 840 | I | 89.5 | Confident | 90.5 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.015 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -53.1 | -34.6 | 178.5 | -66.6 | 171.2 | 0 | 0 | 0 | 111.8 | W586 G838 R842 V843 H849 M852 M853 I856 W886 | W586-I840 HydrophobicContact CH2-CD1 4.18Å; G838-I840 PolarHBondContact O-N 2.97Å; I840-R842 PolarHBondContact O-N 3.24Å; I840-R842 VanDerWaalsContact O-N 3.12Å; I840-V843 WeakPolarHBondContact O-CG2 3.28Å; I840-V843 PolarHBondContact O-N 2.9Å; I840-H849 PolarHBondContact O-CD2 2.93Å; I840-H849 VanDerWaalsContact O-CD2 3.3Å; I840-M852 HydrophobicContact CB-SD 4.23Å; I840-M852 HydrophobicContact CG1-SD 4.1Å; I840-M852 HydrophobicContact CG2-CB 3.68Å; I840-M852 HydrophobicContact CG2-CG 4.34Å; I840-M852 HydrophobicContact CG2-SD 3.72Å; I840-M853 HydrophobicContact CG2-SD 4.43Å; I840-I856 HydrophobicContact CD1-CD1 3.75Å; I840-I856 HydrophobicContact CD1-CG1 3.83Å; I840-W886 HydrophobicContact CD1-CD2 4.39Å; I840-W886 HydrophobicContact CD1-CE3 3.71Å; I840-W886 HydrophobicContact CD1-CH2 4.03Å; I840-W886 HydrophobicContact CD1-CZ3 3.51Å; I840-W886 HydrophobicContact CG1-CH2 4.45Å; I840-W886 HydrophobicContact CG1-CZ3 4.36Å |
| 841 | N | 91.5 | Very high | 90.5 | Very high | 12 Ų | 12 | 49.5 Ų | 49.5 | 6% | 0.064 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -72.7 | -1.9 | -179.2 | -62.3 | -51.2 | 0 | 0 | 0 | 114.2 | N839 H849 W886 E889 T890 L893 | N839-N841 PolarHBondContact O-N 3.22Å; N839-N841 VanDerWaalsContact O-N 3.16Å; N839-N841 WeakPolarHBondContact OD1-CB 3.34Å; N839-N841 PolarHBondContact OD1-N 3.47Å; N839-N841 VanDerWaalsContact OD1-N 3.07Å; N841-H849 PolarHBondContact OD1-NE2 3.24Å; N841-W886 PolarHBondContact ND2-O 2.81Å; N841-E889 HydrophobicContact CB-CG 3.9Å; N841-E889 WeakPolarHBondContact ND2-CB 3.21Å; N841-E889 PolarHBondContact ND2-OE2 3.26Å; N841-E889 VanDerWaalsContact ND2-OE2 3.09Å; N841-T890 WeakPolarHBondContact OD1-CA 3.28Å; N841-T890 WeakPolarHBondContact OD1-CB 3.39Å; N841-T890 PolarHBondContact OD1-N 3.49Å; N841-T890 PolarHBondContact OD1-OG1 3.24Å; N841-L893 HydrophobicContact CB-CD1 4.45Å |
| 842 | R | 89.6 | Confident | 90.7 | Very high | 200 Ų | 200 | 44 Ų | 44 | 76% | 0.755 | 22% | 0.222 | S | C | * | . | G | 310 helix | trans | -92.9 | -2.9 | 174.3 | -66.4 | -176.3 | 178.8 | 177.5 | -0.6 | 113.6 | N839 I840 | N839-R842 HydrophobicContact CB-CG 4.04Å; N839-R842 WeakPolarHBondContact O-CB 3.43Å; N839-R842 PolarHBondContact O-N 3.45Å; I840-R842 PolarHBondContact O-N 3.24Å; I840-R842 VanDerWaalsContact O-N 3.12Å |
| 843 | V | 88.3 | Confident | 90.8 | Very high | 7 Ų | 7 | 39.5 Ų | 39.5 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | trans | -69.6 | 133.6 | 178.7 | 176 | 0 | 0 | 0 | 0 | 110.3 | T577 I840 I848 M852 | T577-V843 HydrophobicContact CG2-CG2 4.34Å; I840-V843 WeakPolarHBondContact O-CG2 3.28Å; I840-V843 PolarHBondContact O-N 2.9Å; V843-I848 HydrophobicContact CG1-CB 4.21Å; V843-I848 HydrophobicContact CG1-CG2 4.06Å; V843-M852 HydrophobicContact CG2-CE 3.64Å; V843-M852 HydrophobicContact CG2-SD 3.71Å | ||
| 844 | T | 85.7 | Confident | 90.9 | Very high | 108 Ų | 108 | 41.8 Ų | 41.8 | 66% | 0.663 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -80.9 | -37 | -175.8 | 52.1 | 0 | 0 | 0 | 0 | 112.5 | D578 P846 | D578-T844 PolarHBondContact OD1-OG1 3.24Å; T844-P846 WeakPolarHBondContact O-CD 3.33Å |
| 845 | S | 89.5 | Confident | 90.9 | Very high | 32 Ų | 32 | 42.4 Ų | 42.4 | 22% | 0.224 | 22% | 0.221 | C | C | . | . | trans | -78.5 | 120.7 | -179 | 175.4 | 0 | 0 | 0 | 0 | 111.9 | E847 I848 H849 | S845-E847 VanDerWaalsContact C-N 3.35Å; S845-E847 PolarHBondContact O-N 2.71Å; S845-I848 PolarHBondContact O-N 2.99Å; S845-H849 WeakPolarHBondContact O-CB 3.5Å; S845-H849 PolarHBondContact O-N 2.94Å; S845-H849 VanDerWaalsContact O-N 3.09Å | ||
| 846 | P | 90.7 | Very high | 91.1 | Very high | 50 Ų | 50 | 40.1 Ų | 40.1 | 33% | 0.325 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -67.1 | -33.7 | 179 | 26.3 | -33.1 | 0 | 0 | 0 | 112.7 | T844 H849 V850 P896 F897 | T844-P846 WeakPolarHBondContact O-CD 3.33Å; P846-H849 PolarHBondContact O-N 3.31Å; P846-V850 WeakPolarHBondContact O-CG2 3.44Å; P846-V850 PolarHBondContact O-N 2.94Å; P846-P896 VanDerWaalsContact CB-O 3.32Å; P846-P896 WeakPolarHBondContact CB-O 3.2Å; P846-F897 HydrophobicContact CB-CD1 4.17Å; P846-F897 HydrophobicContact CB-CE1 4.21Å |
| 847 | E | 90 | Very high | 91.2 | Very high | 150 Ų | 150 | 45.6 Ų | 45.6 | 70% | 0.701 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -64.1 | -45.2 | 178.4 | -64.2 | 179 | 178.6 | 0 | 0 | 111.6 | S845 H849 V850 H851 | S845-E847 VanDerWaalsContact C-N 3.35Å; S845-E847 PolarHBondContact O-N 2.71Å; E847-H849 VanDerWaalsContact C-N 3.33Å; E847-H849 PolarHBondContact O-N 3.34Å; E847-V850 PolarHBondContact O-N 3.34Å; E847-H851 PolarHBondContact O-CD2 3.03Å; E847-H851 PolarHBondContact O-N 3.28Å |
| 848 | I | 91 | Very high | 91.3 | Very high | 14 Ų | 14 | 47.5 Ų | 47.5 | 7% | 0.072 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.6 | -39.7 | 177.6 | -62.7 | 178.4 | 0 | 0 | 0 | 110.4 | T577 D578 V583 V843 S845 V850 H851 M852 | T577-I848 WeakPolarHBondContact O-CG2 3.48Å; D578-I848 VanDerWaalsContact C-CD1 3.43Å; D578-I848 VanDerWaalsContact CA-CD1 3.5Å; D578-I848 HydrophobicContact CB-CD1 4.46Å; D578-I848 WeakPolarHBondContact O-CD1 3.25Å; V583-I848 HydrophobicContact CG2-CG2 3.71Å; V843-I848 HydrophobicContact CG1-CB 4.21Å; V843-I848 HydrophobicContact CG1-CG2 4.06Å; S845-I848 PolarHBondContact O-N 2.99Å; I848-V850 VanDerWaalsContact C-N 3.29Å; I848-V850 PolarHBondContact O-N 3.44Å; I848-H851 PolarHBondContact O-N 3.17Å; I848-M852 HydrophobicContact CG2-CE 3.96Å; I848-M852 WeakPolarHBondContact O-CG 3.33Å; I848-M852 PolarHBondContact O-N 3.47Å |
| 849 | H | 94.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.6 | -38.7 | 177.1 | -168.8 | -74.9 | 0 | 0 | 0 | 111.6 | I840 N841 S845 P846 E847 H851 M852 M853 F897 S900 | I840-H849 PolarHBondContact O-CD2 2.93Å; I840-H849 VanDerWaalsContact O-CD2 3.3Å; N841-H849 PolarHBondContact OD1-NE2 3.24Å; S845-H849 WeakPolarHBondContact O-CB 3.5Å; S845-H849 PolarHBondContact O-N 2.94Å; S845-H849 VanDerWaalsContact O-N 3.09Å; P846-H849 PolarHBondContact O-N 3.31Å; E847-H849 VanDerWaalsContact C-N 3.33Å; E847-H849 PolarHBondContact O-N 3.34Å; H849-H851 PolarHBondContact O-N 3.38Å; H849-M852 PolarHBondContact O-N 3.36Å; H849-M853 VanDerWaalsContact O-CG 3.3Å; H849-M853 WeakPolarHBondContact O-CG 3.42Å; H849-M853 PolarHBondContact O-N 2.98Å; H849-F897 HydrophobicContact CB-CD1 3.91Å; H849-F897 HydrophobicContact CB-CE1 3.88Å; H849-F897 AromaticContact CG-CD1 3.79Å; H849-S900 WeakPolarHBondContact ND1-CB 3.44Å; H849-S900 PolarHBondContact ND1-OG 3.42Å |
| 850 | V | 94.1 | Very high | 91.6 | Very high | 34 Ų | 34 | 45.2 Ų | 45.2 | 21% | 0.206 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.7 | -47.4 | 174.2 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | P846 E847 I848 M852 M853 D854 A899 S900 I903 | P846-V850 WeakPolarHBondContact O-CG2 3.44Å; P846-V850 PolarHBondContact O-N 2.94Å; E847-V850 PolarHBondContact O-N 3.34Å; I848-V850 VanDerWaalsContact C-N 3.29Å; I848-V850 PolarHBondContact O-N 3.44Å; V850-M852 VanDerWaalsContact C-N 3.34Å; V850-M852 PolarHBondContact O-N 3.11Å; V850-M853 PolarHBondContact O-N 2.68Å; V850-M853 VanDerWaalsContact O-N 3.12Å; V850-D854 PolarHBondContact O-N 3.17Å; V850-A899 HydrophobicContact CG2-CB 3.67Å; V850-S900 WeakPolarHBondContact CA-OG 3.21Å; V850-S900 VanDerWaalsContact CG2-OG 3.3Å; V850-S900 WeakPolarHBondContact CG2-OG 3.41Å; V850-S900 PolarHBondContact N-OG 3.48Å; V850-I903 HydrophobicContact CG1-CD1 3.98Å |
| 851 | H | 91.8 | Very high | 91.6 | Very high | 104 Ų | 104 | 46.7 Ų | 46.7 | 48% | 0.481 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.6 | -39.6 | 177.2 | -68.7 | -44.5 | 0 | 0 | 0 | 112.9 | V583 E847 I848 H849 M853 D854 V855 | V583-H851 HydrophobicContact CG1-CB 4.19Å; E847-H851 PolarHBondContact O-CD2 3.03Å; E847-H851 PolarHBondContact O-N 3.28Å; I848-H851 PolarHBondContact O-N 3.17Å; H849-H851 PolarHBondContact O-N 3.38Å; H851-M853 VanDerWaalsContact C-N 3.32Å; H851-M853 PolarHBondContact O-N 3.17Å; H851-D854 PolarHBondContact O-N 2.85Å; H851-V855 WeakPolarHBondContact O-CG2 3.28Å; H851-V855 PolarHBondContact O-N 2.71Å; H851-V855 VanDerWaalsContact O-N 3.11Å |
| 852 | M | 94 | Very high | 91.5 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.9 | -43 | 173.7 | -69.5 | -171.2 | -179.8 | 0 | 0 | 111.3 | T577 V583 L837 I840 V843 I848 H849 V850 D854 V855 I856 | T577-M852 HydrophobicContact CG2-CE 4.31Å; V583-M852 HydrophobicContact CG1-CB 4.44Å; V583-M852 HydrophobicContact CG1-CG 3.53Å; V583-M852 HydrophobicContact CG2-CE 3.43Å; V583-M852 VanDerWaalsContact CG2-CE 3.43Å; V583-M852 HydrophobicContact CG2-CG 4.18Å; L837-M852 HydrophobicContact CD1-CE 3.95Å; I840-M852 HydrophobicContact CB-SD 4.23Å; I840-M852 HydrophobicContact CG1-SD 4.1Å; I840-M852 HydrophobicContact CG2-CB 3.68Å; I840-M852 HydrophobicContact CG2-CG 4.34Å; I840-M852 HydrophobicContact CG2-SD 3.72Å; V843-M852 HydrophobicContact CG2-CE 3.64Å; V843-M852 HydrophobicContact CG2-SD 3.71Å; I848-M852 HydrophobicContact CG2-CE 3.96Å; I848-M852 WeakPolarHBondContact O-CG 3.33Å; I848-M852 PolarHBondContact O-N 3.47Å; H849-M852 PolarHBondContact O-N 3.36Å; V850-M852 VanDerWaalsContact C-N 3.34Å; V850-M852 PolarHBondContact O-N 3.11Å; M852-D854 VanDerWaalsContact C-N 3.32Å; M852-D854 PolarHBondContact O-N 3.34Å; M852-V855 PolarHBondContact O-N 3.5Å; M852-I856 WeakPolarHBondContact O-CG1 3.41Å; M852-I856 PolarHBondContact O-N 3.26Å |
| 853 | M | 94.1 | Very high | 91.5 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.015 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.5 | -32.4 | 177.7 | -64.6 | -58.3 | -82.1 | 0 | 0 | 112.9 | I840 H849 V850 H851 I856 R857 L887 T890 I903 A904 | I840-M853 HydrophobicContact CG2-SD 4.43Å; H849-M853 VanDerWaalsContact O-CG 3.3Å; H849-M853 WeakPolarHBondContact O-CG 3.42Å; H849-M853 PolarHBondContact O-N 2.98Å; V850-M853 PolarHBondContact O-N 2.68Å; V850-M853 VanDerWaalsContact O-N 3.12Å; H851-M853 VanDerWaalsContact C-N 3.32Å; H851-M853 PolarHBondContact O-N 3.17Å; M853-I856 PolarHBondContact O-N 3.43Å; M853-R857 WeakPolarHBondContact O-CB 3.39Å; M853-R857 PolarHBondContact O-N 2.95Å; M853-L887 HydrophobicContact CE-CD2 3.84Å; M853-T890 HydrophobicContact CE-CG2 3.61Å; M853-T890 WeakPolarHBondContact CE-OG1 3.18Å; M853-T890 HydrophobicContact SD-CG2 4.34Å; M853-I903 HydrophobicContact CB-CB 4.28Å; M853-I903 HydrophobicContact CB-CD1 4.28Å; M853-I903 HydrophobicContact CB-CG2 3.97Å; M853-A904 HydrophobicContact CE-CB 3.55Å |
| 854 | D | 93.5 | Very high | 91.3 | Very high | 48 Ų | 48 | 36.9 Ų | 36.9 | 26% | 0.257 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65.5 | -38.2 | 172.2 | -89.2 | -43.5 | 0 | 0 | 0 | 113 | V850 H851 M852 R857 L858 | V850-D854 PolarHBondContact O-N 3.17Å; H851-D854 PolarHBondContact O-N 2.85Å; M852-D854 VanDerWaalsContact C-N 3.32Å; M852-D854 PolarHBondContact O-N 3.34Å; D854-R857 WeakPolarHBondContact O-CB 3.49Å; D854-R857 PolarHBondContact O-N 3.01Å; D854-R857 IonicContact OD1-CZ 2.74Å; D854-R857 IonicContact OD1-NE 3.73Å; D854-R857 PolarHBondContact OD1-NE 3.25Å; D854-R857 IonicContact OD1-NH2 3.81Å; D854-R857 PolarHBondContact OD1-NH2 2.74Å; D854-L858 PolarHBondContact O-N 2.86Å |
| 855 | V | 92.6 | Very high | 91.2 | Very high | 17 Ų | 17 | 37.2 Ų | 37.2 | 10% | 0.103 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.5 | -43.2 | 171.9 | 175.4 | 0 | 0 | 0 | 0 | 110.5 | W586 M590 H851 M852 R857 L858 V859 | W586-V855 HydrophobicContact CE3-CB 4.17Å; W586-V855 HydrophobicContact CE3-CG1 3.84Å; W586-V855 HydrophobicContact CE3-CG2 4.15Å; W586-V855 HydrophobicContact CH2-CB 4.12Å; W586-V855 HydrophobicContact CH2-CG1 3.69Å; W586-V855 HydrophobicContact CZ2-CG1 4.41Å; W586-V855 HydrophobicContact CZ3-CB 3.52Å; W586-V855 HydrophobicContact CZ3-CG1 3.37Å; W586-V855 HydrophobicContact CZ3-CG2 3.92Å; M590-V855 HydrophobicContact CB-CG1 4.34Å; H851-V855 WeakPolarHBondContact O-CG2 3.28Å; H851-V855 PolarHBondContact O-N 2.71Å; H851-V855 VanDerWaalsContact O-N 3.11Å; M852-V855 PolarHBondContact O-N 3.5Å; V855-R857 VanDerWaalsContact C-N 3.31Å; V855-R857 PolarHBondContact O-N 3.26Å; V855-L858 WeakPolarHBondContact O-CB 3.32Å; V855-L858 PolarHBondContact O-N 3.49Å; V855-L858 VanDerWaalsContact O-N 3.16Å; V855-V859 HydrophobicContact CG1-CG2 4.27Å; V855-V859 WeakPolarHBondContact O-CG2 3.26Å; V855-V859 PolarHBondContact O-N 3.48Å |
| 856 | I | 93.5 | Very high | 90.9 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.7 | -41.7 | 175.9 | -64.1 | -55.2 | 0 | 0 | 0 | 111.1 | W586 L834 I840 M852 M853 L858 V859 L860 L883 W886 L907 | W586-I856 HydrophobicContact CH2-CD1 4.09Å; L834-I856 HydrophobicContact CD1-CD1 4.06Å; I840-I856 HydrophobicContact CD1-CD1 3.75Å; I840-I856 HydrophobicContact CD1-CG1 3.83Å; M852-I856 WeakPolarHBondContact O-CG1 3.41Å; M852-I856 PolarHBondContact O-N 3.26Å; M853-I856 PolarHBondContact O-N 3.43Å; I856-L858 PolarHBondContact O-N 2.88Å; I856-V859 PolarHBondContact O-N 3.17Å; I856-L860 VanDerWaalsContact O-CB 3.28Å; I856-L860 WeakPolarHBondContact O-CB 3.31Å; I856-L860 PolarHBondContact O-N 3.35Å; I856-L883 HydrophobicContact CD1-CD2 4.14Å; I856-L883 HydrophobicContact CG2-CD1 4.06Å; I856-L883 HydrophobicContact CG2-CD2 4.39Å; I856-W886 HydrophobicContact CD1-CE3 4.09Å; I856-W886 HydrophobicContact CD1-CZ3 3.86Å; I856-L907 HydrophobicContact CG2-CD1 4.22Å |
| 857 | R | 93.8 | Very high | 90.4 | Very high | 115 Ų | 115 | 34.1 Ų | 34.1 | 43% | 0.434 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -57.8 | -47.1 | 172.7 | 173.4 | 177.3 | 66.8 | 69.7 | 3.9 | 111.7 | M853 D854 V855 L860 S861 I903 L907 | M853-R857 WeakPolarHBondContact O-CB 3.39Å; M853-R857 PolarHBondContact O-N 2.95Å; D854-R857 WeakPolarHBondContact O-CB 3.49Å; D854-R857 PolarHBondContact O-N 3.01Å; D854-R857 IonicContact OD1-CZ 2.74Å; D854-R857 IonicContact OD1-NE 3.73Å; D854-R857 PolarHBondContact OD1-NE 3.25Å; D854-R857 IonicContact OD1-NH2 3.81Å; D854-R857 PolarHBondContact OD1-NH2 2.74Å; V855-R857 VanDerWaalsContact C-N 3.31Å; V855-R857 PolarHBondContact O-N 3.26Å; R857-L860 PolarHBondContact O-N 2.92Å; R857-S861 WeakPolarHBondContact O-CB 3.22Å; R857-S861 PolarHBondContact O-N 3.17Å; R857-I903 HydrophobicContact CB-CG2 4.46Å; R857-L907 HydrophobicContact CB-CD1 3.99Å; R857-L907 HydrophobicContact CB-CD2 3.73Å; R857-L907 HydrophobicContact CB-CG 4.32Å; R857-L907 HydrophobicContact CG-CD2 3.81Å |
| 858 | L | 92.5 | Very high | 89.8 | Confident | 47 Ų | 47 | 29.9 Ų | 29.9 | 25% | 0.246 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.8 | -53.4 | 178.2 | 176.8 | 63.4 | 0 | 0 | 0 | 111.4 | E591 D854 V855 I856 L860 S861 L862 | E591-L858 HydrophobicContact CB-CD2 3.88Å; E591-L858 HydrophobicContact CG-CD2 3.79Å; E591-L858 HydrophobicContact CG-CG 4.31Å; D854-L858 PolarHBondContact O-N 2.86Å; V855-L858 WeakPolarHBondContact O-CB 3.32Å; V855-L858 PolarHBondContact O-N 3.49Å; V855-L858 VanDerWaalsContact O-N 3.16Å; I856-L858 PolarHBondContact O-N 2.88Å; L858-L860 VanDerWaalsContact C-N 3.31Å; L858-L860 PolarHBondContact O-N 3.24Å; L858-S861 PolarHBondContact O-N 3.12Å; L858-S861 VanDerWaalsContact O-N 3.16Å; L858-S861 PolarHBondContact O-OG 3.19Å; L858-L862 HydrophobicContact CD1-CD1 4.44Å; L858-L862 HydrophobicContact CG-CD1 4.41Å; L858-L862 WeakPolarHBondContact O-CG 3.48Å; L858-L862 PolarHBondContact O-N 3.12Å |
| 859 | V | 91.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56.3 | -47.6 | 178.9 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | M590 W830 V855 I856 S861 L862 L863 | M590-V859 HydrophobicContact CB-CG2 4.01Å; M590-V859 HydrophobicContact CE-CG2 4.27Å; W830-V859 HydrophobicContact CZ2-CG1 3.78Å; V855-V859 HydrophobicContact CG1-CG2 4.27Å; V855-V859 WeakPolarHBondContact O-CG2 3.26Å; V855-V859 PolarHBondContact O-N 3.48Å; I856-V859 PolarHBondContact O-N 3.17Å; V859-S861 PolarHBondContact O-N 3.19Å; V859-L862 PolarHBondContact O-N 3.46Å; V859-L863 HydrophobicContact CG1-CD1 4.21Å; V859-L863 HydrophobicContact CG1-CG 4.46Å; V859-L863 WeakPolarHBondContact O-CG 3.41Å; V859-L863 PolarHBondContact O-N 2.85Å |
| 860 | L | 90.6 | Very high | 88.1 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.1 | -42.5 | 179.3 | -177.3 | 68.8 | 0 | 0 | 0 | 112.1 | I856 R857 L858 L862 L863 V864 T880 L883 L907 F910 L911 | I856-L860 VanDerWaalsContact O-CB 3.28Å; I856-L860 WeakPolarHBondContact O-CB 3.31Å; I856-L860 PolarHBondContact O-N 3.35Å; R857-L860 PolarHBondContact O-N 2.92Å; L858-L860 VanDerWaalsContact C-N 3.31Å; L858-L860 PolarHBondContact O-N 3.24Å; L860-L862 VanDerWaalsContact C-N 3.26Å; L860-L862 PolarHBondContact O-N 3.27Å; L860-L863 PolarHBondContact O-N 3Å; L860-V864 HydrophobicContact CD1-CG2 4.31Å; L860-V864 HydrophobicContact CG-CG2 4.39Å; L860-V864 WeakPolarHBondContact O-CG2 3.39Å; L860-V864 PolarHBondContact O-N 3.27Å; L860-T880 HydrophobicContact CD1-CG2 4.15Å; L860-L883 HydrophobicContact CB-CD1 4.27Å; L860-L883 HydrophobicContact CD1-CD1 4.27Å; L860-L907 HydrophobicContact CD2-CB 4.41Å; L860-L907 HydrophobicContact CD2-CD2 3.93Å; L860-F910 HydrophobicContact CD2-CD1 4.1Å; L860-L911 HydrophobicContact CD1-CD2 3.39Å; L860-L911 HydrophobicContact CD1-CG 4.17Å; L860-L911 HydrophobicContact CD2-CD1 4.07Å; L860-L911 HydrophobicContact CD2-CD2 3.72Å; L860-L911 HydrophobicContact CD2-CG 3.59Å; L860-L911 HydrophobicContact CG-CD2 4.11Å; L860-L911 HydrophobicContact CG-CG 4.5Å |
| 861 | S | 89.1 | Confident | 86.7 | Confident | 35 Ų | 35 | 36.1 Ų | 36.1 | 25% | 0.245 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.4 | -38.8 | 177.5 | 78 | 0 | 0 | 0 | 0 | 111.8 | R857 L858 V859 K865 | R857-S861 WeakPolarHBondContact O-CB 3.22Å; R857-S861 PolarHBondContact O-N 3.17Å; L858-S861 PolarHBondContact O-N 3.12Å; L858-S861 VanDerWaalsContact O-N 3.16Å; L858-S861 PolarHBondContact O-OG 3.19Å; V859-S861 PolarHBondContact O-N 3.19Å; S861-K865 WeakPolarHBondContact O-CB 3.49Å; S861-K865 VanDerWaalsContact O-CG 3.25Å; S861-K865 WeakPolarHBondContact O-CG 3.49Å; S861-K865 PolarHBondContact O-N 2.95Å |
| 862 | L | 89.4 | Confident | 85.2 | Confident | 7 Ų | 7 | 33.3 Ų | 33.3 | 4% | 0.037 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.1 | -45.7 | 175.7 | -65.3 | 172.4 | 0 | 0 | 0 | 111.1 | E591 T594 R595 L606 L858 V859 L860 V864 K865 I866 | E591-L862 HydrophobicContact CG-CD1 3.95Å; T594-L862 HydrophobicContact CG2-CB 3.71Å; T594-L862 HydrophobicContact CG2-CD1 4.06Å; R595-L862 HydrophobicContact CG-CD1 4.45Å; L606-L862 HydrophobicContact CD1-CB 4.48Å; L606-L862 HydrophobicContact CD1-CD2 3.92Å; L858-L862 HydrophobicContact CD1-CD1 4.44Å; L858-L862 HydrophobicContact CG-CD1 4.41Å; L858-L862 WeakPolarHBondContact O-CG 3.48Å; L858-L862 PolarHBondContact O-N 3.12Å; V859-L862 PolarHBondContact O-N 3.46Å; L860-L862 VanDerWaalsContact C-N 3.26Å; L860-L862 PolarHBondContact O-N 3.27Å; L862-V864 VanDerWaalsContact C-N 3.3Å; L862-V864 PolarHBondContact O-N 3.39Å; L862-K865 WeakPolarHBondContact O-CB 3.47Å; L862-K865 PolarHBondContact O-N 3.36Å; L862-K865 VanDerWaalsContact O-N 3.17Å; L862-I866 VanDerWaalsContact O-CG1 3.24Å; L862-I866 WeakPolarHBondContact O-CG1 3.44Å; L862-I866 PolarHBondContact O-N 2.85Å |
| 863 | L | 89.6 | Confident | 83.7 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.4 | -41.1 | 176.9 | -67.1 | 176.3 | 0 | 0 | 0 | 112.4 | T594 L597 W830 V859 L860 I866 R867 P878 T880 | T594-L863 HydrophobicContact CG2-CD2 4.12Å; T594-L863 HydrophobicContact CG2-CG 4.41Å; L597-L863 HydrophobicContact CD2-CD2 4.49Å; W830-L863 HydrophobicContact CH2-CD1 4.12Å; W830-L863 HydrophobicContact CZ2-CD1 3.97Å; W830-L863 HydrophobicContact CZ2-CD2 4.27Å; V859-L863 HydrophobicContact CG1-CD1 4.21Å; V859-L863 HydrophobicContact CG1-CG 4.46Å; V859-L863 WeakPolarHBondContact O-CG 3.41Å; V859-L863 PolarHBondContact O-N 2.85Å; L860-L863 PolarHBondContact O-N 3Å; L863-I866 HydrophobicContact CD2-CD1 4.4Å; L863-I866 WeakPolarHBondContact O-CB 3.41Å; L863-I866 PolarHBondContact O-N 3.38Å; L863-R867 PolarHBondContact O-N 3.09Å; L863-P878 HydrophobicContact CB-CB 4.24Å; L863-P878 HydrophobicContact CD2-CB 4.16Å; L863-T880 HydrophobicContact CB-CG2 3.97Å |
| 864 | V | 84.7 | Confident | 82.2 | Confident | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.03 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.1 | -40.3 | 176.1 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | L860 L862 I866 R867 N868 T880 F910 Q914 | L860-V864 HydrophobicContact CD1-CG2 4.31Å; L860-V864 HydrophobicContact CG-CG2 4.39Å; L860-V864 WeakPolarHBondContact O-CG2 3.39Å; L860-V864 PolarHBondContact O-N 3.27Å; L862-V864 VanDerWaalsContact C-N 3.3Å; L862-V864 PolarHBondContact O-N 3.39Å; V864-I866 VanDerWaalsContact C-N 3.34Å; V864-I866 PolarHBondContact O-N 3.32Å; V864-R867 PolarHBondContact O-N 2.83Å; V864-N868 WeakPolarHBondContact O-CB 3.36Å; V864-N868 PolarHBondContact O-N 2.85Å; V864-N868 PolarHBondContact O-ND2 3.36Å; V864-T880 HydrophobicContact CG2-CG2 4.04Å; V864-F910 HydrophobicContact CB-CE1 4.05Å; V864-F910 HydrophobicContact CB-CZ 4.19Å; V864-F910 HydrophobicContact CG1-CE1 4.02Å; V864-F910 HydrophobicContact CG1-CZ 3.72Å; V864-F910 HydrophobicContact CG2-CE1 3.75Å; V864-F910 HydrophobicContact CG2-CZ 4.32Å; V864-Q914 HydrophobicContact CG1-CG 4.03Å; V864-Q914 HydrophobicContact CG2-CG 3.88Å |
| 865 | K | 82.9 | Confident | 81 | Confident | 116 Ų | 116 | 44.1 Ų | 44.1 | 50% | 0.504 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.6 | -41.1 | 172.8 | -78.5 | 178.3 | 179.7 | -170.2 | 0 | 112.5 | L606 S861 L862 N868 N869 | L606-K865 HydrophobicContact CD2-CB 3.94Å; S861-K865 WeakPolarHBondContact O-CB 3.49Å; S861-K865 VanDerWaalsContact O-CG 3.25Å; S861-K865 WeakPolarHBondContact O-CG 3.49Å; S861-K865 PolarHBondContact O-N 2.95Å; L862-K865 WeakPolarHBondContact O-CB 3.47Å; L862-K865 PolarHBondContact O-N 3.36Å; L862-K865 VanDerWaalsContact O-N 3.17Å; K865-N868 PolarHBondContact O-N 2.97Å; K865-N869 PolarHBondContact O-N 3.31Å; K865-N869 VanDerWaalsContact O-N 3.16Å; K865-N869 PolarHBondContact O-ND2 3.39Å |
| 866 | I | 84.8 | Confident | 80.3 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.6 | -54.2 | 173.1 | -66.3 | 165.3 | 0 | 0 | 0 | 108.9 | A598 Y602 V604 L606 L862 L863 V864 N868 N869 Q870 P878 | A598-I866 HydrophobicContact CB-CD1 3.5Å; A598-I866 HydrophobicContact CB-CG1 3.53Å; Y602-I866 HydrophobicContact CD1-CG2 4.25Å; Y602-I866 HydrophobicContact CD2-CD1 4.25Å; Y602-I866 HydrophobicContact CD2-CG2 3.62Å; Y602-I866 HydrophobicContact CE2-CG2 4.37Å; Y602-I866 HydrophobicContact CG-CG2 3.53Å; V604-I866 HydrophobicContact CB-CG2 4.49Å; V604-I866 HydrophobicContact CG2-CG2 4.3Å; L606-I866 HydrophobicContact CD1-CG1 4.12Å; L606-I866 HydrophobicContact CD2-CG1 4.1Å; L606-I866 HydrophobicContact CG-CG1 4.42Å; L862-I866 VanDerWaalsContact O-CG1 3.24Å; L862-I866 WeakPolarHBondContact O-CG1 3.44Å; L862-I866 PolarHBondContact O-N 2.85Å; L863-I866 HydrophobicContact CD2-CD1 4.4Å; L863-I866 WeakPolarHBondContact O-CB 3.41Å; L863-I866 PolarHBondContact O-N 3.38Å; V864-I866 VanDerWaalsContact C-N 3.34Å; V864-I866 PolarHBondContact O-N 3.32Å; I866-N868 VanDerWaalsContact C-N 3.32Å; I866-N868 PolarHBondContact O-N 3.38Å; I866-N869 PolarHBondContact O-N 3.33Å; I866-N869 VanDerWaalsContact O-N 3.12Å; I866-Q870 WeakPolarHBondContact O-CG 3.39Å; I866-Q870 PolarHBondContact O-N 3.5Å; I866-P878 HydrophobicContact CB-CG 4.14Å; I866-P878 HydrophobicContact CG2-CG 3.7Å |
| 867 | R | 80.1 | Confident | 79.6 | Confident | 16 Ų | 16 | 49.8 Ų | 49.8 | 6% | 0.06 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.5 | -42.3 | -177.4 | 178.9 | 54.3 | -173.4 | 130.2 | -16.6 | 112.7 | L863 V864 N869 Q870 D871 P878 D917 | L863-R867 PolarHBondContact O-N 3.09Å; V864-R867 PolarHBondContact O-N 2.83Å; R867-N869 PolarHBondContact O-N 3.04Å; R867-Q870 VanDerWaalsContact CD-OE1 3.29Å; R867-Q870 PolarHBondContact O-N 3.4Å; R867-Q870 VanDerWaalsContact O-N 3.14Å; R867-D871 PolarHBondContact NH1-O 3.16Å; R867-D871 VanDerWaalsContact NH1-O 3.1Å; R867-P878 HydrophobicContact CB-CG 4.07Å; R867-D917 IonicContact CZ-OD1 4Å; R867-D917 IonicContact CZ-OD2 3.17Å; R867-D917 VanDerWaalsContact CZ-OD2 3.3Å; R867-D917 IonicContact NE-OD1 2.71Å; R867-D917 IonicContact NE-OD2 2.73Å; R867-D917 PolarHBondContact NE-OD2 3.21Å; R867-D917 IonicContact NH2-OD1 3.92Å; R867-D917 PolarHBondContact NH2-OD1 3.33Å; R867-D917 IonicContact NH2-OD2 2.71Å; R867-D917 PolarHBondContact NH2-OD2 3.13Å; R867-D917 VanDerWaalsContact NH2-OD2 3.12Å |
| 868 | N | 76.3 | Confident | 79.3 | Confident | 62 Ų | 62 | 44.4 Ų | 44.4 | 33% | 0.332 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.1 | -35.9 | 179.6 | -75 | -16.2 | 0 | 0 | 0 | 111.2 | L611 V864 K865 I866 R1560 | L611-N868 WeakPolarHBondContact CD1-O 3.45Å; V864-N868 WeakPolarHBondContact O-CB 3.36Å; V864-N868 PolarHBondContact O-N 2.85Å; V864-N868 PolarHBondContact O-ND2 3.36Å; K865-N868 PolarHBondContact O-N 2.97Å; I866-N868 VanDerWaalsContact C-N 3.32Å; I866-N868 PolarHBondContact O-N 3.38Å; N868-R1560 PolarHBondContact O-NH2 3.03Å |
| 869 | N | 76.3 | Confident | 78.8 | Confident | 25 Ų | 25 | 44.6 Ų | 44.6 | 13% | 0.134 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -84.4 | -2.1 | 178.3 | -75.3 | -78 | 0 | 0 | 0 | 114.9 | V604 P610 L611 K865 I866 R867 | V604-N869 HydrophobicContact CG1-CB 3.67Å; V604-N869 HydrophobicContact CG2-CB 4.33Å; P610-N869 WeakPolarHBondContact CD-OD1 3.36Å; P610-N869 HydrophobicContact CG-CB 4.23Å; L611-N869 WeakPolarHBondContact CB-OD1 3.47Å; L611-N869 PolarHBondContact N-OD1 3.48Å; K865-N869 PolarHBondContact O-N 3.31Å; K865-N869 VanDerWaalsContact O-N 3.16Å; K865-N869 PolarHBondContact O-ND2 3.39Å; I866-N869 PolarHBondContact O-N 3.33Å; I866-N869 VanDerWaalsContact O-N 3.12Å; R867-N869 PolarHBondContact O-N 3.04Å |
| 870 | Q | 74.9 | Confident | 78.3 | Confident | 17 Ų | 17 | 45.9 Ų | 45.9 | 8% | 0.079 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -81.8 | 154.7 | 171.6 | -69.2 | 179 | -57.1 | 0 | 0 | 111.8 | V604 I866 R867 P874 L876 R1560 | V604-Q870 HydrophobicContact CG2-CG 4.11Å; I866-Q870 WeakPolarHBondContact O-CG 3.39Å; I866-Q870 PolarHBondContact O-N 3.5Å; R867-Q870 VanDerWaalsContact CD-OE1 3.29Å; R867-Q870 PolarHBondContact O-N 3.4Å; R867-Q870 VanDerWaalsContact O-N 3.14Å; Q870-P874 HydrophobicContact CB-CB 4.2Å; Q870-P874 HydrophobicContact CB-CG 4.49Å; Q870-L876 PolarHBondContact NE2-O 3.47Å; Q870-R1560 PolarHBondContact O-NH2 3.33Å |
| 871 | D | 64.5 | Low | 77.9 | Confident | 137 Ų | 137 | 48.8 Ų | 48.8 | 73% | 0.733 | 29% | 0.287 | S | S | * | . | trans | -63.6 | 171.4 | 173.1 | -72.2 | -27.3 | 0 | 0 | 0 | 112.3 | R867 C873 P874 | R867-D871 PolarHBondContact NH1-O 3.16Å; R867-D871 VanDerWaalsContact NH1-O 3.1Å; D871-C873 VanDerWaalsContact C-N 3.27Å; D871-C873 PolarHBondContact O-N 3.01Å; D871-P874 WeakPolarHBondContact O-CD 3.4Å | ||
| 872 | S | 61 | Low | 77.7 | Confident | 45 Ų | 45 | 50.4 Ų | 50.4 | 32% | 0.315 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -61 | -29.2 | -174.8 | -60.4 | 0 | 0 | 0 | 0 | 114.4 | R915 | S872-R915 PolarHBondContact O-NH1 3.4Å; S872-R915 PolarHBondContact O-NH2 3.5Å |
| 873 | C | 60.7 | Low | 77.6 | Confident | 121 Ų | 121 | 50.1 Ų | 50.1 | 82% | 0.818 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -131.4 | 71 | -179 | -68 | 0 | 0 | 0 | 0 | 111.1 | D871 | D871-C873 VanDerWaalsContact C-N 3.27Å; D871-C873 PolarHBondContact O-N 3.01Å |
| 874 | P | 62.9 | Low | 77.4 | Confident | 35 Ų | 35 | 50.6 Ų | 50.6 | 23% | 0.227 | 29% | 0.293 | C | S | . | . | trans | -73.4 | 150.7 | -179.8 | 34.3 | -35 | 0 | 0 | 0 | 110.7 | Q870 D871 L876 V877 | Q870-P874 HydrophobicContact CB-CB 4.2Å; Q870-P874 HydrophobicContact CB-CG 4.49Å; D871-P874 WeakPolarHBondContact O-CD 3.4Å; P874-L876 VanDerWaalsContact C-N 3.32Å; P874-V877 HydrophobicContact CG-CG2 4.26Å | ||
| 875 | S | 69.2 | Low | 77.6 | Confident | 122 Ų | 122 | 54.4 Ų | 54.4 | 85% | 0.853 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -69.8 | -29.2 | 172.9 | 51.6 | 0 | 0 | 0 | 0 | 112.9 | ||
| 876 | L | 78 | Confident | 78 | Confident | 87 Ų | 87 | 51 Ų | 51 | 46% | 0.455 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -129.1 | 131.5 | -176.2 | -69.5 | 165.5 | 0 | 0 | 0 | 110.2 | V601 Y602 Q870 P874 | V601-L876 HydrophobicContact CG1-CD1 4.03Å; Y602-L876 HydrophobicContact CD1-CB 4.11Å; Y602-L876 HydrophobicContact CE1-CB 3.83Å; Q870-L876 PolarHBondContact NE2-O 3.47Å; P874-L876 VanDerWaalsContact C-N 3.32Å |
| 877 | V | 79.4 | Confident | 78.4 | Confident | 52 Ų | 52 | 51.1 Ų | 51.1 | 32% | 0.315 | 30% | 0.303 | S | S | . | . | trans | -111.9 | 130.8 | -179.4 | -178.7 | 0 | 0 | 0 | 0 | 109.9 | P874 D917 | P874-V877 HydrophobicContact CG-CG2 4.26Å; V877-D917 HydrophobicContact CG1-CB 4.12Å; V877-D917 HydrophobicContact CG2-CB 4.26Å | ||
| 878 | P | 85.8 | Confident | 78.9 | Confident | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.019 | 30% | 0.303 | C | S | . | . | trans | -57.3 | 135.5 | 173.1 | -27.5 | 36.6 | 0 | 0 | 0 | 113.3 | Y602 L863 I866 R867 T880 | Y602-P878 HydrophobicContact CD1-CG 4.29Å; Y602-P878 HydrophobicContact CE1-CG 3.89Å; Y602-P878 HydrophobicContact CE2-CG 4.24Å; Y602-P878 WeakPolarHBondContact OH-CA 3.43Å; L863-P878 HydrophobicContact CB-CB 4.24Å; L863-P878 HydrophobicContact CD2-CB 4.16Å; I866-P878 HydrophobicContact CB-CG 4.14Å; I866-P878 HydrophobicContact CG2-CG 3.7Å; R867-P878 HydrophobicContact CB-CG 4.07Å; P878-T880 VanDerWaalsContact C-N 3.25Å; P878-T880 PolarHBondContact O-N 3.3Å | ||
| 879 | P | 82.6 | Confident | 79.7 | Confident | 50 Ų | 50 | 51.5 Ų | 51.5 | 33% | 0.325 | 30% | 0.304 | S | S | . | . | trans | -80.5 | 60.1 | -173 | 34.3 | -38 | 0 | 0 | 0 | 113 | W830 V881 L882 | W830-P879 HydrophobicContact CH2-CG 4.09Å; W830-P879 HydrophobicContact CZ3-CG 3.91Å; P879-V881 PolarHBondContact O-N 3.12Å; P879-L882 WeakPolarHBondContact O-CB 3.33Å; P879-L882 PolarHBondContact O-N 3.5Å | ||
| 880 | T | 82.1 | Confident | 80.5 | Confident | 28 Ų | 28 | 50.3 Ų | 50.3 | 17% | 0.172 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -63 | -29.1 | -178.6 | 53.8 | 0 | 0 | 0 | 0 | 113.4 | L860 L863 V864 P878 L882 | L860-T880 HydrophobicContact CD1-CG2 4.15Å; L863-T880 HydrophobicContact CB-CG2 3.97Å; V864-T880 HydrophobicContact CG2-CG2 4.04Å; P878-T880 VanDerWaalsContact C-N 3.25Å; P878-T880 PolarHBondContact O-N 3.3Å; T880-L882 VanDerWaalsContact C-N 3.28Å; T880-L882 PolarHBondContact O-N 2.9Å |
| 881 | V | 80.9 | Confident | 81.3 | Confident | 61 Ų | 61 | 50.2 Ų | 50.2 | 37% | 0.37 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -72.2 | -18.8 | -178.1 | -178.2 | 0 | 0 | 0 | 0 | 112.9 | P879 L883 I884 L920 | P879-V881 PolarHBondContact O-N 3.12Å; V881-L883 PolarHBondContact O-N 3.18Å; V881-L883 VanDerWaalsContact O-N 3.12Å; V881-I884 HydrophobicContact CB-CD1 4.45Å; V881-I884 HydrophobicContact CG1-CD1 3.9Å; V881-I884 PolarHBondContact O-N 2.95Å; V881-L920 HydrophobicContact CG1-CD2 3.68Å; V881-L920 HydrophobicContact CG2-CD2 4.04Å |
| 882 | L | 84.7 | Confident | 82.6 | Confident | 69 Ų | 69 | 50 Ų | 50 | 36% | 0.361 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -58.8 | -28.4 | -177.1 | -176.5 | 69.6 | 0 | 0 | 0 | 113.1 | W830 L834 P879 T880 | W830-L882 HydrophobicContact CH2-CD2 4.38Å; W830-L882 HydrophobicContact CZ3-CD2 4.07Å; L834-L882 HydrophobicContact CD2-CD2 3.89Å; P879-L882 WeakPolarHBondContact O-CB 3.33Å; P879-L882 PolarHBondContact O-N 3.5Å; T880-L882 VanDerWaalsContact C-N 3.28Å; T880-L882 PolarHBondContact O-N 2.9Å |
| 883 | L | 87.7 | Confident | 84.1 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -89 | -10.8 | -173.2 | -63.4 | 169.9 | 0 | 0 | 0 | 113.7 | L834 I856 L860 V881 W886 L887 | L834-L883 HydrophobicContact CD1-CD2 4.44Å; L834-L883 HydrophobicContact CD2-CD2 4.12Å; I856-L883 HydrophobicContact CD1-CD2 4.14Å; I856-L883 HydrophobicContact CG2-CD1 4.06Å; I856-L883 HydrophobicContact CG2-CD2 4.39Å; L860-L883 HydrophobicContact CB-CD1 4.27Å; L860-L883 HydrophobicContact CD1-CD1 4.27Å; V881-L883 PolarHBondContact O-N 3.18Å; V881-L883 VanDerWaalsContact O-N 3.12Å; L883-W886 HydrophobicContact CD2-CE3 3.77Å; L883-W886 HydrophobicContact CD2-CZ3 3.99Å; L883-W886 PolarHBondContact O-N 3.27Å; L883-L887 WeakPolarHBondContact O-CG 3.5Å; L883-L887 PolarHBondContact O-N 2.9Å; L883-L887 VanDerWaalsContact O-N 3.14Å |
| 884 | I | 86.9 | Confident | 85.4 | Confident | 9 Ų | 9 | 47.2 Ų | 47.2 | 5% | 0.046 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.5 | -43.3 | -176.2 | -64.8 | -178.3 | 0 | 0 | 0 | 113.2 | V881 W886 L887 S888 Y908 L911 L920 T924 | V881-I884 HydrophobicContact CB-CD1 4.45Å; V881-I884 HydrophobicContact CG1-CD1 3.9Å; V881-I884 PolarHBondContact O-N 2.95Å; I884-W886 VanDerWaalsContact C-N 3.3Å; I884-W886 PolarHBondContact O-N 2.61Å; I884-L887 PolarHBondContact O-N 3.45Å; I884-S888 VanDerWaalsContact O-CB 3.31Å; I884-S888 WeakPolarHBondContact O-CB 3.05Å; I884-S888 PolarHBondContact O-N 2.91Å; I884-Y908 HydrophobicContact CG2-CE1 4.39Å; I884-Y908 HydrophobicContact CG2-CE2 3.97Å; I884-Y908 WeakPolarHBondContact CG2-OH 3.33Å; I884-L911 HydrophobicContact CG1-CD1 3.92Å; I884-L920 HydrophobicContact CD1-CD1 4.4Å; I884-L920 HydrophobicContact CD1-CD2 3.45Å; I884-L920 VanDerWaalsContact CD1-CD2 3.45Å; I884-T924 HydrophobicContact CD1-CG2 4.34Å; I884-T924 HydrophobicContact CG2-CG2 3.6Å |
| 885 | P | 88.9 | Confident | 86.5 | Confident | 85 Ų | 85 | 52.3 Ų | 52.3 | 55% | 0.552 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -59.1 | -39.7 | 178 | -25.6 | 35.9 | 0 | 0 | 0 | 113.2 | S888 E889 | P885-S888 PolarHBondContact O-N 3.47Å; P885-E889 PolarHBondContact O-N 3.24Å |
| 886 | W | 91.3 | Very high | 87.4 | Confident | 46 Ų | 46 | 50.8 Ų | 50.8 | 17% | 0.174 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.5 | -46.5 | 176.4 | -74.9 | -12.9 | 0 | 0 | 0 | 111.7 | L834 I840 N841 I856 L883 I884 S888 E889 T890 | L834-W886 HydrophobicContact CD1-CZ3 4.19Å; L834-W886 HydrophobicContact CG-CH2 4.28Å; L834-W886 HydrophobicContact CG-CZ3 4.18Å; I840-W886 HydrophobicContact CD1-CD2 4.39Å; I840-W886 HydrophobicContact CD1-CE3 3.71Å; I840-W886 HydrophobicContact CD1-CH2 4.03Å; I840-W886 HydrophobicContact CD1-CZ3 3.51Å; I840-W886 HydrophobicContact CG1-CH2 4.45Å; I840-W886 HydrophobicContact CG1-CZ3 4.36Å; N841-W886 PolarHBondContact ND2-O 2.81Å; I856-W886 HydrophobicContact CD1-CE3 4.09Å; I856-W886 HydrophobicContact CD1-CZ3 3.86Å; L883-W886 HydrophobicContact CD2-CE3 3.77Å; L883-W886 HydrophobicContact CD2-CZ3 3.99Å; L883-W886 PolarHBondContact O-N 3.27Å; I884-W886 VanDerWaalsContact C-N 3.3Å; I884-W886 PolarHBondContact O-N 2.61Å; W886-S888 VanDerWaalsContact C-N 3.32Å; W886-S888 PolarHBondContact O-N 2.92Å; W886-E889 PolarHBondContact O-N 3.04Å; W886-T890 PolarHBondContact O-N 3.27Å; W886-T890 PolarHBondContact O-OG1 2.82Å |
| 887 | L | 92.1 | Very high | 88.1 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 177.5 | -62.4 | 175.8 | 0 | 0 | 0 | 111.9 | M853 L883 I884 T890 L891 A904 L907 Y908 L911 | M853-L887 HydrophobicContact CE-CD2 3.84Å; L883-L887 WeakPolarHBondContact O-CG 3.5Å; L883-L887 PolarHBondContact O-N 2.9Å; L883-L887 VanDerWaalsContact O-N 3.14Å; I884-L887 PolarHBondContact O-N 3.45Å; L887-T890 PolarHBondContact O-N 2.93Å; L887-L891 WeakPolarHBondContact O-CG 3.29Å; L887-L891 PolarHBondContact O-N 3.11Å; L887-L891 VanDerWaalsContact O-N 3.14Å; L887-A904 HydrophobicContact CD2-CB 4.26Å; L887-L907 HydrophobicContact CD1-CB 4.01Å; L887-L907 HydrophobicContact CD2-CB 3.99Å; L887-L907 HydrophobicContact CD2-CD1 3.87Å; L887-Y908 HydrophobicContact CB-CD1 4.13Å; L887-L911 HydrophobicContact CD1-CD1 3.48Å; L887-L911 VanDerWaalsContact CD1-CD1 3.48Å |
| 888 | S | 90.4 | Very high | 88.5 | Confident | 8 Ų | 8 | 46.9 Ų | 46.9 | 6% | 0.056 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.3 | -45.8 | 177.4 | 178.1 | 0 | 0 | 0 | 0 | 111.2 | I884 P885 W886 L891 R892 D927 I931 | I884-S888 VanDerWaalsContact O-CB 3.31Å; I884-S888 WeakPolarHBondContact O-CB 3.05Å; I884-S888 PolarHBondContact O-N 2.91Å; P885-S888 PolarHBondContact O-N 3.47Å; W886-S888 VanDerWaalsContact C-N 3.32Å; W886-S888 PolarHBondContact O-N 2.92Å; S888-L891 PolarHBondContact O-N 3.35Å; S888-R892 PolarHBondContact O-NH1 3.22Å; S888-R892 PolarHBondContact OG-NH1 3.34Å; S888-R892 PolarHBondContact OG-NH2 3.4Å; S888-D927 PolarHBondContact OG-OD2 2.98Å; S888-I931 VanDerWaalsContact OG-CD1 3.26Å; S888-I931 WeakPolarHBondContact OG-CD1 3.36Å |
| 889 | E | 92.5 | Very high | 88.7 | Confident | 77 Ų | 77 | 49.2 Ų | 49.2 | 36% | 0.36 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.7 | -38.8 | 176.7 | -177.8 | -179 | -155.7 | 0 | 0 | 112.3 | N839 N841 P885 W886 L891 R892 | N839-E889 PolarHBondContact ND2-OE1 3.42Å; N839-E889 PolarHBondContact ND2-OE2 2.68Å; N839-E889 PolarHBondContact OD1-OE2 2.63Å; N841-E889 HydrophobicContact CB-CG 3.9Å; N841-E889 WeakPolarHBondContact ND2-CB 3.21Å; N841-E889 PolarHBondContact ND2-OE2 3.26Å; N841-E889 VanDerWaalsContact ND2-OE2 3.09Å; P885-E889 PolarHBondContact O-N 3.24Å; W886-E889 PolarHBondContact O-N 3.04Å; E889-L891 VanDerWaalsContact C-N 3.27Å; E889-L891 PolarHBondContact O-N 3.45Å; E889-R892 PolarHBondContact O-N 3.29Å |
| 890 | T | 94.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.9 | -40.9 | 174.9 | -53.9 | 0 | 0 | 0 | 0 | 111.9 | N841 M853 W886 L887 R892 L893 K901 A904 | N841-T890 WeakPolarHBondContact OD1-CA 3.28Å; N841-T890 WeakPolarHBondContact OD1-CB 3.39Å; N841-T890 PolarHBondContact OD1-N 3.49Å; N841-T890 PolarHBondContact OD1-OG1 3.24Å; M853-T890 HydrophobicContact CE-CG2 3.61Å; M853-T890 WeakPolarHBondContact CE-OG1 3.18Å; M853-T890 HydrophobicContact SD-CG2 4.34Å; W886-T890 PolarHBondContact O-N 3.27Å; W886-T890 PolarHBondContact O-OG1 2.82Å; L887-T890 PolarHBondContact O-N 2.93Å; T890-R892 PolarHBondContact O-N 3.46Å; T890-L893 HydrophobicContact CG2-CD1 4.2Å; T890-L893 VanDerWaalsContact O-CB 3.32Å; T890-L893 WeakPolarHBondContact O-CB 3.45Å; T890-L893 WeakPolarHBondContact O-CG 3.5Å; T890-L893 PolarHBondContact O-N 3.45Å; T890-L893 VanDerWaalsContact O-N 3.11Å; T890-K901 WeakPolarHBondContact O-CG 3.14Å; T890-A904 HydrophobicContact CG2-CB 3.79Å |
| 891 | L | 92.4 | Very high | 89.7 | Confident | 15 Ų | 15 | 46.1 Ų | 46.1 | 8% | 0.079 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -15.8 | 179.9 | -69.5 | 174 | 0 | 0 | 0 | 113.7 | L887 S888 E889 K901 A904 T905 Y908 I931 I935 | L887-L891 WeakPolarHBondContact O-CG 3.29Å; L887-L891 PolarHBondContact O-N 3.11Å; L887-L891 VanDerWaalsContact O-N 3.14Å; S888-L891 PolarHBondContact O-N 3.35Å; E889-L891 VanDerWaalsContact C-N 3.27Å; E889-L891 PolarHBondContact O-N 3.45Å; L891-K901 HydrophobicContact CD2-CB 4.43Å; L891-K901 WeakPolarHBondContact CD2-O 3.41Å; L891-A904 HydrophobicContact CD2-CB 3.82Å; L891-A904 HydrophobicContact CG-CB 4.01Å; L891-T905 WeakPolarHBondContact CD2-OG1 3.39Å; L891-Y908 HydrophobicContact CD1-CD1 3.71Å; L891-Y908 HydrophobicContact CD1-CE1 4.44Å; L891-I931 HydrophobicContact CB-CG2 3.79Å; L891-I931 HydrophobicContact CD1-CG2 3.64Å; L891-I931 HydrophobicContact CG-CG2 4.32Å; L891-I935 HydrophobicContact CD1-CD1 4.33Å; L891-I935 HydrophobicContact CD2-CD1 4.09Å |
| 892 | R | 91 | Very high | 90.2 | Very high | 133 Ų | 133 | 45.5 Ų | 45.5 | 50% | 0.502 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 1 | 175.9 | -61.7 | -173.5 | -170.6 | 84.3 | -6.6 | 113.7 | S888 E889 T890 D927 | S888-R892 PolarHBondContact O-NH1 3.22Å; S888-R892 PolarHBondContact OG-NH1 3.34Å; S888-R892 PolarHBondContact OG-NH2 3.4Å; E889-R892 PolarHBondContact O-N 3.29Å; T890-R892 PolarHBondContact O-N 3.46Å; R892-D927 IonicContact CZ-OD1 3.15Å; R892-D927 IonicContact CZ-OD2 2.77Å; R892-D927 IonicContact NH2-OD1 3.8Å; R892-D927 PolarHBondContact NH2-OD1 3.22Å; R892-D927 IonicContact NH2-OD2 2.77Å; R892-D927 PolarHBondContact NH2-OD2 3Å |
| 893 | L | 91.6 | Very high | 90.5 | Very high | 29 Ų | 29 | 43 Ų | 43 | 15% | 0.152 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -69.2 | 155.9 | 177.4 | -69.7 | 179.1 | 0 | 0 | 0 | 112.3 | N841 T890 F897 | N841-L893 HydrophobicContact CB-CD1 4.45Å; T890-L893 HydrophobicContact CG2-CD1 4.2Å; T890-L893 VanDerWaalsContact O-CB 3.32Å; T890-L893 WeakPolarHBondContact O-CB 3.45Å; T890-L893 WeakPolarHBondContact O-CG 3.5Å; T890-L893 PolarHBondContact O-N 3.45Å; T890-L893 VanDerWaalsContact O-N 3.11Å; L893-F897 HydrophobicContact CB-CB 4.02Å; L893-F897 HydrophobicContact CB-CD2 4.16Å; L893-F897 HydrophobicContact CB-CG 4.21Å; L893-F897 HydrophobicContact CD1-CB 4.26Å; L893-F897 HydrophobicContact CD1-CD1 4.22Å; L893-F897 HydrophobicContact CD1-CD2 4.49Å; L893-F897 HydrophobicContact CD1-CG 4.07Å |
| 894 | P | 89.8 | Confident | 90.8 | Very high | 79 Ų | 79 | 42.9 Ų | 42.9 | 51% | 0.513 | 23% | 0.232 | S | C | . | . | trans | -69.9 | 169.7 | -179.4 | 29.8 | -35.6 | 0 | 0 | 0 | 113 | P896 F897 | P894-P896 HydrophobicContact CG-CG 4.42Å; P894-F897 HydrophobicContact CG-CD2 3.98Å; P894-F897 HydrophobicContact CG-CE2 4.15Å; P894-F897 PolarHBondContact O-N 3.2Å; P894-F897 VanDerWaalsContact O-N 3.08Å | ||
| 895 | E | 85 | Confident | 90.9 | Very high | 141 Ų | 141 | 42.5 Ų | 42.5 | 66% | 0.659 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -48 | -39.2 | -174.2 | -165.2 | 170 | -167.9 | 0 | 0 | 117.5 | F897 A898 | E895-F897 PolarHBondContact O-N 3.26Å; E895-A898 WeakPolarHBondContact O-CB 3.45Å; E895-A898 PolarHBondContact O-N 2.67Å |
| 896 | P | 88.6 | Confident | 90.9 | Very high | 91 Ų | 91 | 44.3 Ų | 44.3 | 59% | 0.591 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -59.9 | -17.8 | 178.5 | 22.1 | -34.4 | 0 | 0 | 0 | 114 | P846 P894 A898 | P846-P896 VanDerWaalsContact CB-O 3.32Å; P846-P896 WeakPolarHBondContact CB-O 3.2Å; P894-P896 HydrophobicContact CG-CG 4.42Å; P896-A898 VanDerWaalsContact C-N 3.34Å |
| 897 | F | 91.6 | Very high | 90.8 | Very high | 22 Ų | 22 | 42.6 Ų | 42.6 | 10% | 0.096 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -92 | 17.2 | 176.7 | -61.6 | -87.5 | 0 | 0 | 0 | 113.4 | P846 H849 L893 P894 E895 A899 S900 K901 | P846-F897 HydrophobicContact CB-CD1 4.17Å; P846-F897 HydrophobicContact CB-CE1 4.21Å; H849-F897 HydrophobicContact CB-CD1 3.91Å; H849-F897 HydrophobicContact CB-CE1 3.88Å; H849-F897 AromaticContact CG-CD1 3.79Å; L893-F897 HydrophobicContact CB-CB 4.02Å; L893-F897 HydrophobicContact CB-CD2 4.16Å; L893-F897 HydrophobicContact CB-CG 4.21Å; L893-F897 HydrophobicContact CD1-CB 4.26Å; L893-F897 HydrophobicContact CD1-CD1 4.22Å; L893-F897 HydrophobicContact CD1-CD2 4.49Å; L893-F897 HydrophobicContact CD1-CG 4.07Å; P894-F897 HydrophobicContact CG-CD2 3.98Å; P894-F897 HydrophobicContact CG-CE2 4.15Å; P894-F897 PolarHBondContact O-N 3.2Å; P894-F897 VanDerWaalsContact O-N 3.08Å; E895-F897 PolarHBondContact O-N 3.26Å; F897-A899 VanDerWaalsContact C-N 3.34Å; F897-A899 PolarHBondContact O-N 3.33Å; F897-S900 WeakPolarHBondContact O-CA 3.12Å; F897-S900 WeakPolarHBondContact O-CB 3.25Å; F897-S900 PolarHBondContact O-N 3.36Å; F897-K901 WeakPolarHBondContact O-CG 3.22Å; F897-K901 PolarHBondContact O-N 2.92Å |
| 898 | A | 89.1 | Confident | 90.5 | Very high | 35 Ų | 35 | 42.6 Ų | 42.6 | 29% | 0.289 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -49.2 | -47.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | E895 P896 S900 K901 M902 | E895-A898 WeakPolarHBondContact O-CB 3.45Å; E895-A898 PolarHBondContact O-N 2.67Å; P896-A898 VanDerWaalsContact C-N 3.34Å; A898-S900 VanDerWaalsContact C-N 3.31Å; A898-S900 PolarHBondContact O-N 3.31Å; A898-K901 WeakPolarHBondContact O-CB 3.29Å; A898-K901 PolarHBondContact O-N 3.5Å; A898-M902 WeakPolarHBondContact O-CG 3.39Å; A898-M902 PolarHBondContact O-N 3.21Å |
| 899 | A | 89.8 | Confident | 90.2 | Very high | 51 Ų | 51 | 42.2 Ų | 42.2 | 42% | 0.421 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.1 | -38.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V850 F897 M902 I903 | V850-A899 HydrophobicContact CG2-CB 3.67Å; F897-A899 VanDerWaalsContact C-N 3.34Å; F897-A899 PolarHBondContact O-N 3.33Å; A899-M902 PolarHBondContact O-N 2.99Å; A899-I903 WeakPolarHBondContact O-CG1 3.41Å; A899-I903 PolarHBondContact O-N 2.87Å |
| 900 | S | 92.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70 | -39.1 | 175.8 | -69.2 | 0 | 0 | 0 | 0 | 112.4 | H849 V850 F897 A898 M902 I903 A904 | H849-S900 WeakPolarHBondContact ND1-CB 3.44Å; H849-S900 PolarHBondContact ND1-OG 3.42Å; V850-S900 WeakPolarHBondContact CA-OG 3.21Å; V850-S900 VanDerWaalsContact CG2-OG 3.3Å; V850-S900 WeakPolarHBondContact CG2-OG 3.41Å; V850-S900 PolarHBondContact N-OG 3.48Å; F897-S900 WeakPolarHBondContact O-CA 3.12Å; F897-S900 WeakPolarHBondContact O-CB 3.25Å; F897-S900 PolarHBondContact O-N 3.36Å; A898-S900 VanDerWaalsContact C-N 3.31Å; A898-S900 PolarHBondContact O-N 3.31Å; S900-M902 VanDerWaalsContact C-N 3.3Å; S900-M902 PolarHBondContact O-N 3.41Å; S900-I903 PolarHBondContact O-N 2.96Å; S900-A904 WeakPolarHBondContact O-CB 3.5Å; S900-A904 PolarHBondContact O-N 3.44Å |
| 901 | K | 93.3 | Very high | 89 | Confident | 14 Ų | 14 | 43 Ų | 43 | 6% | 0.061 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.3 | -42.4 | 173.4 | -67.9 | 168.4 | 69.1 | -166.6 | 0 | 110.7 | T890 L891 F897 A898 I903 A904 T905 E940 L943 | T890-K901 WeakPolarHBondContact O-CG 3.14Å; L891-K901 HydrophobicContact CD2-CB 4.43Å; L891-K901 WeakPolarHBondContact CD2-O 3.41Å; F897-K901 WeakPolarHBondContact O-CG 3.22Å; F897-K901 PolarHBondContact O-N 2.92Å; A898-K901 WeakPolarHBondContact O-CB 3.29Å; A898-K901 PolarHBondContact O-N 3.5Å; K901-I903 PolarHBondContact O-N 3.23Å; K901-A904 WeakPolarHBondContact O-CB 3.42Å; K901-A904 PolarHBondContact O-N 3.17Å; K901-T905 PolarHBondContact O-N 2.93Å; K901-T905 PolarHBondContact O-OG1 3.1Å; K901-E940 IonicContact NZ-OE1 3.3Å; K901-E940 PolarHBondContact NZ-OE1 3.17Å; K901-E940 IonicContact NZ-OE2 3.46Å; K901-E940 PolarHBondContact NZ-OE2 2.82Å; K901-L943 HydrophobicContact CB-CD1 3.84Å |
| 902 | M | 90.3 | Very high | 88.2 | Confident | 47 Ų | 47 | 42.5 Ų | 42.5 | 23% | 0.232 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.8 | -43.7 | 176.2 | -69.2 | 169.4 | 77.7 | 0 | 0 | 112.6 | A898 A899 S900 T905 R906 L943 T946 | A898-M902 WeakPolarHBondContact O-CG 3.39Å; A898-M902 PolarHBondContact O-N 3.21Å; A899-M902 PolarHBondContact O-N 2.99Å; S900-M902 VanDerWaalsContact C-N 3.3Å; S900-M902 PolarHBondContact O-N 3.41Å; M902-T905 PolarHBondContact O-N 2.7Å; M902-R906 PolarHBondContact O-N 2.86Å; M902-R906 VanDerWaalsContact O-N 3.17Å; M902-L943 HydrophobicContact CG-CD1 4.1Å; M902-T946 HydrophobicContact CB-CG2 4Å; M902-T946 WeakPolarHBondContact CE-OG1 3.24Å; M902-T946 HydrophobicContact CG-CG2 4.33Å |
| 903 | I | 91.8 | Very high | 87.2 | Confident | 16 Ų | 16 | 36.4 Ų | 36.4 | 8% | 0.082 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.8 | -46 | 174.4 | -62.4 | 169.2 | 0 | 0 | 0 | 110.1 | V850 M853 R857 A899 S900 K901 T905 R906 L907 | V850-I903 HydrophobicContact CG1-CD1 3.98Å; M853-I903 HydrophobicContact CB-CB 4.28Å; M853-I903 HydrophobicContact CB-CD1 4.28Å; M853-I903 HydrophobicContact CB-CG2 3.97Å; R857-I903 HydrophobicContact CB-CG2 4.46Å; A899-I903 WeakPolarHBondContact O-CG1 3.41Å; A899-I903 PolarHBondContact O-N 2.87Å; S900-I903 PolarHBondContact O-N 2.96Å; K901-I903 PolarHBondContact O-N 3.23Å; I903-T905 VanDerWaalsContact C-N 3.31Å; I903-T905 PolarHBondContact O-N 3.44Å; I903-R906 PolarHBondContact O-N 2.99Å; I903-L907 HydrophobicContact CG2-CD1 3.9Å; I903-L907 HydrophobicContact CG2-CG 4.3Å; I903-L907 VanDerWaalsContact O-CG 3.31Å; I903-L907 WeakPolarHBondContact O-CG 3.35Å; I903-L907 PolarHBondContact O-N 3.44Å |
| 904 | A | 92.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.8 | -42.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | M853 L887 T890 L891 S900 K901 L907 Y908 | M853-A904 HydrophobicContact CE-CB 3.55Å; L887-A904 HydrophobicContact CD2-CB 4.26Å; T890-A904 HydrophobicContact CG2-CB 3.79Å; L891-A904 HydrophobicContact CD2-CB 3.82Å; L891-A904 HydrophobicContact CG-CB 4.01Å; S900-A904 WeakPolarHBondContact O-CB 3.5Å; S900-A904 PolarHBondContact O-N 3.44Å; K901-A904 WeakPolarHBondContact O-CB 3.42Å; K901-A904 PolarHBondContact O-N 3.17Å; A904-L907 PolarHBondContact O-N 3.24Å; A904-Y908 WeakPolarHBondContact O-CB 3.44Å; A904-Y908 PolarHBondContact O-N 3.21Å |
| 905 | T | 89.9 | Confident | 84.8 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.4 | -50.1 | 176.8 | -62.3 | 0 | 0 | 0 | 0 | 111 | L891 K901 M902 I903 L907 Y908 C909 F947 | L891-T905 WeakPolarHBondContact CD2-OG1 3.39Å; K901-T905 PolarHBondContact O-N 2.93Å; K901-T905 PolarHBondContact O-OG1 3.1Å; M902-T905 PolarHBondContact O-N 2.7Å; I903-T905 VanDerWaalsContact C-N 3.31Å; I903-T905 PolarHBondContact O-N 3.44Å; T905-L907 VanDerWaalsContact C-N 3.32Å; T905-L907 PolarHBondContact O-N 2.63Å; T905-Y908 PolarHBondContact O-N 2.64Å; T905-C909 WeakPolarHBondContact O-CB 3.46Å; T905-C909 PolarHBondContact O-N 3.38Å; T905-C909 PolarHBondContact O-SG 3.39Å; T905-C909 VanDerWaalsContact O-SG 3.36Å; T905-F947 HydrophobicContact CG2-CB 3.81Å; T905-F947 HydrophobicContact CG2-CD2 3.57Å; T905-F947 HydrophobicContact CG2-CG 4.1Å |
| 906 | R | 88.3 | Confident | 83.6 | Confident | 123 Ų | 123 | 33.8 Ų | 33.8 | 46% | 0.464 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -55.9 | -47.4 | 176.6 | -75.5 | 168.8 | -175.7 | 141.2 | 2.5 | 111.5 | M902 I903 F910 T946 S950 | M902-R906 PolarHBondContact O-N 2.86Å; M902-R906 VanDerWaalsContact O-N 3.17Å; I903-R906 PolarHBondContact O-N 2.99Å; R906-F910 WeakPolarHBondContact O-CB 3.4Å; R906-F910 PolarHBondContact O-N 2.97Å; R906-T946 HydrophobicContact CG-CG2 3.93Å; R906-S950 WeakPolarHBondContact CG-OG 3.46Å |
| 907 | L | 88.7 | Confident | 82.3 | Confident | 9 Ų | 9 | 31.9 Ų | 31.9 | 5% | 0.047 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.4 | -41.3 | -179.4 | -67 | 175.3 | 0 | 0 | 0 | 113 | I856 R857 L860 L887 I903 A904 T905 F910 L911 | I856-L907 HydrophobicContact CG2-CD1 4.22Å; R857-L907 HydrophobicContact CB-CD1 3.99Å; R857-L907 HydrophobicContact CB-CD2 3.73Å; R857-L907 HydrophobicContact CB-CG 4.32Å; R857-L907 HydrophobicContact CG-CD2 3.81Å; L860-L907 HydrophobicContact CD2-CB 4.41Å; L860-L907 HydrophobicContact CD2-CD2 3.93Å; L887-L907 HydrophobicContact CD1-CB 4.01Å; L887-L907 HydrophobicContact CD2-CB 3.99Å; L887-L907 HydrophobicContact CD2-CD1 3.87Å; I903-L907 HydrophobicContact CG2-CD1 3.9Å; I903-L907 HydrophobicContact CG2-CG 4.3Å; I903-L907 VanDerWaalsContact O-CG 3.31Å; I903-L907 WeakPolarHBondContact O-CG 3.35Å; I903-L907 PolarHBondContact O-N 3.44Å; A904-L907 PolarHBondContact O-N 3.24Å; T905-L907 VanDerWaalsContact C-N 3.32Å; T905-L907 PolarHBondContact O-N 2.63Å; L907-F910 PolarHBondContact O-N 3.24Å; L907-L911 WeakPolarHBondContact O-CB 3.41Å; L907-L911 WeakPolarHBondContact O-CG 3.35Å; L907-L911 PolarHBondContact O-N 2.94Å |
| 908 | Y | 87 | Confident | 81 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.8 | -45.6 | -179.9 | -151.9 | 154.4 | 0 | 0 | 0 | 110.4 | I884 L887 L891 A904 T905 F910 L911 L912 F928 I931 | I884-Y908 HydrophobicContact CG2-CE1 4.39Å; I884-Y908 HydrophobicContact CG2-CE2 3.97Å; I884-Y908 WeakPolarHBondContact CG2-OH 3.33Å; L887-Y908 HydrophobicContact CB-CD1 4.13Å; L891-Y908 HydrophobicContact CD1-CD1 3.71Å; L891-Y908 HydrophobicContact CD1-CE1 4.44Å; A904-Y908 WeakPolarHBondContact O-CB 3.44Å; A904-Y908 PolarHBondContact O-N 3.21Å; T905-Y908 PolarHBondContact O-N 2.64Å; Y908-F910 VanDerWaalsContact C-N 3.34Å; Y908-F910 PolarHBondContact O-N 3.42Å; Y908-L911 PolarHBondContact O-N 3.27Å; Y908-L912 HydrophobicContact CD2-CD1 3.83Å; Y908-L912 HydrophobicContact CD2-CG 4.03Å; Y908-L912 HydrophobicContact CE2-CD1 4.03Å; Y908-L912 HydrophobicContact CE2-CD2 4.46Å; Y908-L912 HydrophobicContact CE2-CG 4.21Å; Y908-L912 WeakPolarHBondContact O-CG 3.46Å; Y908-L912 PolarHBondContact O-N 3.42Å; Y908-F928 HydrophobicContact CD1-CD2 4.11Å; Y908-F928 AromaticContact CD2-CD2 3.67Å; Y908-F928 HydrophobicContact CD2-CD2 3.67Å; Y908-F928 HydrophobicContact CD2-CE2 4.09Å; Y908-F928 HydrophobicContact CE1-CD2 4.03Å; Y908-F928 HydrophobicContact CE2-CB 4.04Å; Y908-F928 AromaticContact CE2-CD2 3.59Å; Y908-F928 HydrophobicContact CE2-CD2 3.59Å; Y908-F928 HydrophobicContact CE2-CE2 4.44Å; Y908-F928 HydrophobicContact CE2-CG 4.1Å; Y908-F928 AromaticContact CG-CD2 3.93Å; Y908-F928 HydrophobicContact CG-CD2 3.93Å; Y908-F928 HydrophobicContact CG-CE2 4.19Å; Y908-F928 AromaticContact CZ-CD2 3.77Å; Y908-I931 HydrophobicContact CE1-CD1 4.31Å |
| 909 | C | 84 | Confident | 80 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.9 | -45.9 | 173 | -68 | 0 | 0 | 0 | 0 | 111.6 | T905 L911 L912 S913 S954 | T905-C909 WeakPolarHBondContact O-CB 3.46Å; T905-C909 PolarHBondContact O-N 3.38Å; T905-C909 PolarHBondContact O-SG 3.39Å; T905-C909 VanDerWaalsContact O-SG 3.36Å; C909-L911 PolarHBondContact O-N 3.23Å; C909-L912 PolarHBondContact O-N 2.99Å; C909-S913 PolarHBondContact O-N 3.47Å; C909-S913 PolarHBondContact O-OG 2.95Å; C909-S954 PolarHBondContact O-OG 3.41Å; C909-S954 VanDerWaalsContact O-OG 3.13Å |
| 910 | F | 81.5 | Confident | 79.3 | Confident | 78 Ų | 78 | 38.1 Ų | 38.1 | 34% | 0.342 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -60.6 | -42.5 | 177.1 | 177.6 | -105.8 | 0 | 0 | 0 | 112.7 | L860 V864 R906 L907 Y908 L912 S913 Q914 | L860-F910 HydrophobicContact CD2-CD1 4.1Å; V864-F910 HydrophobicContact CB-CE1 4.05Å; V864-F910 HydrophobicContact CB-CZ 4.19Å; V864-F910 HydrophobicContact CG1-CE1 4.02Å; V864-F910 HydrophobicContact CG1-CZ 3.72Å; V864-F910 HydrophobicContact CG2-CE1 3.75Å; V864-F910 HydrophobicContact CG2-CZ 4.32Å; R906-F910 WeakPolarHBondContact O-CB 3.4Å; R906-F910 PolarHBondContact O-N 2.97Å; L907-F910 PolarHBondContact O-N 3.24Å; Y908-F910 VanDerWaalsContact C-N 3.34Å; Y908-F910 PolarHBondContact O-N 3.42Å; F910-L912 VanDerWaalsContact C-N 3.32Å; F910-L912 PolarHBondContact O-N 2.87Å; F910-S913 PolarHBondContact O-N 2.8Å; F910-S913 PolarHBondContact O-OG 3.26Å; F910-Q914 HydrophobicContact CE1-CG 4.37Å; F910-Q914 VanDerWaalsContact O-CG 3.28Å; F910-Q914 WeakPolarHBondContact O-CG 3.15Å; F910-Q914 PolarHBondContact O-N 3.09Å; F910-Q914 PolarHBondContact O-NE2 3.29Å |
| 911 | L | 80 | Confident | 78.7 | Confident | 16 Ų | 16 | 41.1 Ų | 41.1 | 8% | 0.084 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.7 | -42.2 | 175.4 | -85.8 | 175.9 | 0 | 0 | 0 | 112.3 | L860 I884 L887 L907 Y908 C909 S913 Q914 | L860-L911 HydrophobicContact CD1-CD2 3.39Å; L860-L911 HydrophobicContact CD1-CG 4.17Å; L860-L911 HydrophobicContact CD2-CD1 4.07Å; L860-L911 HydrophobicContact CD2-CD2 3.72Å; L860-L911 HydrophobicContact CD2-CG 3.59Å; L860-L911 HydrophobicContact CG-CD2 4.11Å; L860-L911 HydrophobicContact CG-CG 4.5Å; I884-L911 HydrophobicContact CG1-CD1 3.92Å; L887-L911 HydrophobicContact CD1-CD1 3.48Å; L887-L911 VanDerWaalsContact CD1-CD1 3.48Å; L907-L911 WeakPolarHBondContact O-CB 3.41Å; L907-L911 WeakPolarHBondContact O-CG 3.35Å; L907-L911 PolarHBondContact O-N 2.94Å; Y908-L911 PolarHBondContact O-N 3.27Å; C909-L911 PolarHBondContact O-N 3.23Å; L911-S913 PolarHBondContact O-N 3.3Å; L911-Q914 PolarHBondContact O-N 3.08Å |
| 912 | L | 74.5 | Confident | 77.9 | Confident | 5 Ų | 5 | 46.6 Ų | 46.6 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -71.4 | -21 | -177.3 | -73.2 | 168.8 | 0 | 0 | 0 | 113.5 | Y908 C909 F910 R916 L920 F928 W960 | Y908-L912 HydrophobicContact CD2-CD1 3.83Å; Y908-L912 HydrophobicContact CD2-CG 4.03Å; Y908-L912 HydrophobicContact CE2-CD1 4.03Å; Y908-L912 HydrophobicContact CE2-CD2 4.46Å; Y908-L912 HydrophobicContact CE2-CG 4.21Å; Y908-L912 WeakPolarHBondContact O-CG 3.46Å; Y908-L912 PolarHBondContact O-N 3.42Å; C909-L912 PolarHBondContact O-N 2.99Å; F910-L912 VanDerWaalsContact C-N 3.32Å; F910-L912 PolarHBondContact O-N 2.87Å; L912-R916 PolarHBondContact O-NH2 2.88Å; L912-L920 HydrophobicContact CD2-CD1 3.54Å; L912-F928 HydrophobicContact CD1-CB 4.42Å; L912-F928 HydrophobicContact CD1-CD1 3.44Å; L912-F928 VanDerWaalsContact CD1-CD1 3.44Å; L912-F928 HydrophobicContact CD1-CD2 3.35Å; L912-F928 HydrophobicContact CD1-CE1 3.35Å; L912-F928 HydrophobicContact CD1-CE2 3.24Å; L912-F928 HydrophobicContact CD1-CG 3.44Å; L912-F928 VanDerWaalsContact CD1-CG 3.44Å; L912-F928 HydrophobicContact CD1-CZ 3.23Å; L912-W960 HydrophobicContact CB-CH2 3.84Å; L912-W960 HydrophobicContact CB-CZ2 3.3Å; L912-W960 HydrophobicContact CD1-CH2 3.97Å; L912-W960 HydrophobicContact CD1-CZ2 4.25Å; L912-W960 HydrophobicContact CD1-CZ3 4.39Å; L912-W960 HydrophobicContact CG-CZ2 4.41Å; L912-W960 PolarHBondContact O-NE1 2.89Å; L912-W960 VanDerWaalsContact O-NE1 3.13Å |
| 913 | S | 70.5 | Confident | 77.6 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 4% | 0.035 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -5.2 | 172.1 | 58.5 | 0 | 0 | 0 | 0 | 114 | C909 F910 L911 S954 R957 | C909-S913 PolarHBondContact O-N 3.47Å; C909-S913 PolarHBondContact O-OG 2.95Å; F910-S913 PolarHBondContact O-N 2.8Å; F910-S913 PolarHBondContact O-OG 3.26Å; L911-S913 PolarHBondContact O-N 3.3Å; S913-S954 VanDerWaalsContact CB-CB 3.49Å; S913-S954 VanDerWaalsContact CB-OG 3.29Å; S913-S954 WeakPolarHBondContact CB-OG 3.09Å; S913-S954 PolarHBondContact OG-OG 2.84Å; S913-R957 PolarHBondContact O-NH2 3.1Å |
| 914 | Q | 71.2 | Confident | 77.2 | Confident | 20 Ų | 20 | 50.9 Ų | 50.9 | 9% | 0.093 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -78.8 | 151.1 | 173.3 | -58.8 | -42.6 | -63.3 | 0 | 0 | 111 | V864 F910 L911 R916 | V864-Q914 HydrophobicContact CG1-CG 4.03Å; V864-Q914 HydrophobicContact CG2-CG 3.88Å; F910-Q914 HydrophobicContact CE1-CG 4.37Å; F910-Q914 VanDerWaalsContact O-CG 3.28Å; F910-Q914 WeakPolarHBondContact O-CG 3.15Å; F910-Q914 PolarHBondContact O-N 3.09Å; F910-Q914 PolarHBondContact O-NE2 3.29Å; L911-Q914 PolarHBondContact O-N 3.08Å; Q914-R916 PolarHBondContact O-N 3.38Å; Q914-R916 VanDerWaalsContact O-N 3.13Å |
| 915 | R | 59 | Low | 76.5 | Confident | 86 Ų | 86 | 52.6 Ų | 52.6 | 33% | 0.325 | 27% | 0.27 | S | S | . | . | trans | -47.1 | 118.8 | 173.5 | 176.6 | 175.6 | 167.1 | 170 | -1.3 | 111.1 | S872 D917 | S872-R915 PolarHBondContact O-NH1 3.4Å; S872-R915 PolarHBondContact O-NH2 3.5Å; R915-D917 IonicContact CZ-OD1 3.33Å; R915-D917 VanDerWaalsContact CZ-OD1 3.3Å; R915-D917 IonicContact NE-OD1 3.61Å; R915-D917 PolarHBondContact NE-OD1 3.07Å; R915-D917 IonicContact NH2-OD1 3.94Å; R915-D917 PolarHBondContact NH2-OD1 3.36Å; R915-D917 PolarHBondContact O-N 2.93Å | ||
| 916 | R | 60.1 | Low | 76.1 | Confident | 87 Ų | 87 | 54.9 Ų | 54.9 | 33% | 0.328 | 29% | 0.289 | S | S | . | . | trans | -85.4 | 85.1 | 175.1 | -59.1 | -176.7 | -165.2 | 177.7 | 4.9 | 110 | L912 Q914 I918 | L912-R916 PolarHBondContact O-NH2 2.88Å; Q914-R916 PolarHBondContact O-N 3.38Å; Q914-R916 VanDerWaalsContact O-N 3.13Å; R916-I918 PolarHBondContact O-N 3.18Å | ||
| 917 | D | 62 | Low | 76 | Confident | 52 Ų | 52 | 51.4 Ų | 51.4 | 28% | 0.278 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -64.7 | -32.9 | 167.6 | -62.4 | -55.1 | 0 | 0 | 0 | 111.6 | R867 V877 R915 | R867-D917 IonicContact CZ-OD1 4Å; R867-D917 IonicContact CZ-OD2 3.17Å; R867-D917 VanDerWaalsContact CZ-OD2 3.3Å; R867-D917 IonicContact NE-OD1 2.71Å; R867-D917 IonicContact NE-OD2 2.73Å; R867-D917 PolarHBondContact NE-OD2 3.21Å; R867-D917 IonicContact NH2-OD1 3.92Å; R867-D917 PolarHBondContact NH2-OD1 3.33Å; R867-D917 IonicContact NH2-OD2 2.71Å; R867-D917 PolarHBondContact NH2-OD2 3.13Å; R867-D917 VanDerWaalsContact NH2-OD2 3.12Å; V877-D917 HydrophobicContact CG1-CB 4.12Å; V877-D917 HydrophobicContact CG2-CB 4.26Å; R915-D917 IonicContact CZ-OD1 3.33Å; R915-D917 VanDerWaalsContact CZ-OD1 3.3Å; R915-D917 IonicContact NE-OD1 3.61Å; R915-D917 PolarHBondContact NE-OD1 3.07Å; R915-D917 IonicContact NH2-OD1 3.94Å; R915-D917 PolarHBondContact NH2-OD1 3.36Å; R915-D917 PolarHBondContact O-N 2.93Å |
| 918 | I | 65.3 | Low | 75.8 | Confident | 108 Ų | 108 | 51.1 Ų | 51.1 | 55% | 0.554 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -113.6 | 118.4 | 175.6 | -55.8 | 171.2 | 0 | 0 | 0 | 106.5 | R916 L920 | R916-I918 PolarHBondContact O-N 3.18Å; I918-L920 PolarHBondContact O-N 3.39Å |
| 919 | P | 67.9 | Low | 75.6 | Confident | 111 Ų | 111 | 51.8 Ų | 51.8 | 72% | 0.721 | 28% | 0.281 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 132.6 | 176.6 | 25 | -31.7 | 0 | 0 | 0 | 109.6 | ||
| 920 | L | 74.8 | Confident | 75.6 | Confident | 19 Ų | 19 | 55.5 Ų | 55.5 | 10% | 0.099 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 144.8 | 170.7 | -67.7 | 172 | 0 | 0 | 0 | 109.1 | V881 I884 L912 I918 T924 I925 | V881-L920 HydrophobicContact CG1-CD2 3.68Å; V881-L920 HydrophobicContact CG2-CD2 4.04Å; I884-L920 HydrophobicContact CD1-CD1 4.4Å; I884-L920 HydrophobicContact CD1-CD2 3.45Å; I884-L920 VanDerWaalsContact CD1-CD2 3.45Å; L912-L920 HydrophobicContact CD2-CD1 3.54Å; I918-L920 PolarHBondContact O-N 3.39Å; L920-T924 HydrophobicContact CD2-CG2 4.49Å; L920-I925 HydrophobicContact CB-CD1 4.06Å; L920-I925 HydrophobicContact CB-CG1 3.79Å; L920-I925 HydrophobicContact CD1-CG1 4.46Å |
| 921 | S | 79 | Confident | 75.8 | Confident | 63 Ų | 63 | 52.3 Ų | 52.3 | 44% | 0.441 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 144.8 | 174.3 | 80.7 | 0 | 0 | 0 | 0 | 110.3 | V923 T924 I925 | S921-V923 PolarHBondContact O-N 3.3Å; S921-V923 VanDerWaalsContact O-N 3.1Å; S921-T924 WeakPolarHBondContact O-CB 3.49Å; S921-T924 PolarHBondContact O-N 2.99Å; S921-T924 PolarHBondContact OG-N 3.23Å; S921-T924 PolarHBondContact OG-OG1 3.46Å; S921-I925 PolarHBondContact O-N 2.78Å; S921-I925 VanDerWaalsContact O-N 3.08Å |
| 922 | D | 78.5 | Confident | 76.2 | Confident | 130 Ų | 130 | 51.6 Ų | 51.6 | 70% | 0.695 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -54.8 | -32.2 | 177.6 | -66 | -23.6 | 0 | 0 | 0 | 111.8 | I925 A926 | D922-I925 PolarHBondContact O-N 3.05Å; D922-A926 VanDerWaalsContact O-CB 3.31Å; D922-A926 WeakPolarHBondContact O-CB 3.37Å; D922-A926 PolarHBondContact O-N 3.48Å |
| 923 | V | 83.7 | Confident | 76.8 | Confident | 115 Ų | 115 | 51.6 Ų | 51.6 | 70% | 0.697 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -64.1 | -45.7 | 175.3 | -177.6 | 0 | 0 | 0 | 0 | 111.4 | S921 I925 A926 D927 | S921-V923 PolarHBondContact O-N 3.3Å; S921-V923 VanDerWaalsContact O-N 3.1Å; V923-I925 VanDerWaalsContact C-N 3.31Å; V923-I925 PolarHBondContact O-N 3.45Å; V923-A926 PolarHBondContact O-N 2.87Å; V923-D927 VanDerWaalsContact O-CB 3.31Å; V923-D927 WeakPolarHBondContact O-CB 3.26Å; V923-D927 PolarHBondContact O-N 2.66Å |
| 924 | T | 82.2 | Confident | 77.6 | Confident | 38 Ų | 38 | 55.1 Ų | 55.1 | 23% | 0.233 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.5 | -37.1 | 178.4 | -49.4 | 0 | 0 | 0 | 0 | 111.9 | I884 L920 S921 F928 | I884-T924 HydrophobicContact CD1-CG2 4.34Å; I884-T924 HydrophobicContact CG2-CG2 3.6Å; L920-T924 HydrophobicContact CD2-CG2 4.49Å; S921-T924 WeakPolarHBondContact O-CB 3.49Å; S921-T924 PolarHBondContact O-N 2.99Å; S921-T924 PolarHBondContact OG-N 3.23Å; S921-T924 PolarHBondContact OG-OG1 3.46Å; T924-F928 PolarHBondContact O-N 3.44Å; T924-F928 VanDerWaalsContact O-N 3.08Å |
| 925 | I | 79.6 | Confident | 78.4 | Confident | 35 Ų | 35 | 54.7 Ų | 54.7 | 18% | 0.179 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.5 | -48.6 | 176.7 | -64.7 | 174.4 | 0 | 0 | 0 | 109.8 | L920 S921 D922 V923 D927 F928 F929 | L920-I925 HydrophobicContact CB-CD1 4.06Å; L920-I925 HydrophobicContact CB-CG1 3.79Å; L920-I925 HydrophobicContact CD1-CG1 4.46Å; S921-I925 PolarHBondContact O-N 2.78Å; S921-I925 VanDerWaalsContact O-N 3.08Å; D922-I925 PolarHBondContact O-N 3.05Å; V923-I925 VanDerWaalsContact C-N 3.31Å; V923-I925 PolarHBondContact O-N 3.45Å; I925-D927 VanDerWaalsContact C-N 3.31Å; I925-D927 PolarHBondContact O-N 3.49Å; I925-F928 WeakPolarHBondContact O-CB 3.3Å; I925-F928 PolarHBondContact O-N 2.96Å; I925-F929 HydrophobicContact CG2-CD2 3.73Å; I925-F929 HydrophobicContact CG2-CE2 3.42Å; I925-F929 VanDerWaalsContact CG2-CE2 3.42Å; I925-F929 WeakPolarHBondContact O-CD2 3.42Å; I925-F929 PolarHBondContact O-N 2.89Å; I925-F929 VanDerWaalsContact O-N 3.09Å |
| 926 | A | 81.4 | Confident | 79.7 | Confident | 51 Ų | 51 | 50.8 Ų | 50.8 | 42% | 0.421 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.2 | -41.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | D922 V923 F929 C930 | D922-A926 VanDerWaalsContact O-CB 3.31Å; D922-A926 WeakPolarHBondContact O-CB 3.37Å; D922-A926 PolarHBondContact O-N 3.48Å; V923-A926 PolarHBondContact O-N 2.87Å; A926-F929 PolarHBondContact O-N 3.32Å; A926-C930 PolarHBondContact O-N 3.43Å; A926-C930 PolarHBondContact O-SG 3.04Å |
| 927 | D | 84.5 | Confident | 81 | Confident | 49 Ų | 49 | 49.5 Ų | 49.5 | 26% | 0.262 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.8 | -45.6 | 176.5 | -168.3 | 50.9 | 0 | 0 | 0 | 111.7 | S888 R892 V923 I925 F929 C930 I931 | S888-D927 PolarHBondContact OG-OD2 2.98Å; R892-D927 IonicContact CZ-OD1 3.15Å; R892-D927 IonicContact CZ-OD2 2.77Å; R892-D927 IonicContact NH2-OD1 3.8Å; R892-D927 PolarHBondContact NH2-OD1 3.22Å; R892-D927 IonicContact NH2-OD2 2.77Å; R892-D927 PolarHBondContact NH2-OD2 3Å; V923-D927 VanDerWaalsContact O-CB 3.31Å; V923-D927 WeakPolarHBondContact O-CB 3.26Å; V923-D927 PolarHBondContact O-N 2.66Å; I925-D927 VanDerWaalsContact C-N 3.31Å; I925-D927 PolarHBondContact O-N 3.49Å; D927-F929 VanDerWaalsContact C-N 3.34Å; D927-F929 PolarHBondContact O-N 2.94Å; D927-C930 PolarHBondContact O-N 3.37Å; D927-I931 VanDerWaalsContact O-CG1 3.28Å; D927-I931 WeakPolarHBondContact O-CG1 3.25Å; D927-I931 PolarHBondContact O-N 3.47Å |
| 928 | F | 85.6 | Confident | 82.2 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.018 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57 | -46.9 | 174.3 | 171.1 | -101.5 | 0 | 0 | 0 | 112.1 | Y908 L912 T924 I925 C930 I931 A932 F947 W960 | Y908-F928 HydrophobicContact CD1-CD2 4.11Å; Y908-F928 AromaticContact CD2-CD2 3.67Å; Y908-F928 HydrophobicContact CD2-CD2 3.67Å; Y908-F928 HydrophobicContact CD2-CE2 4.09Å; Y908-F928 HydrophobicContact CE1-CD2 4.03Å; Y908-F928 HydrophobicContact CE2-CB 4.04Å; Y908-F928 AromaticContact CE2-CD2 3.59Å; Y908-F928 HydrophobicContact CE2-CD2 3.59Å; Y908-F928 HydrophobicContact CE2-CE2 4.44Å; Y908-F928 HydrophobicContact CE2-CG 4.1Å; Y908-F928 AromaticContact CG-CD2 3.93Å; Y908-F928 HydrophobicContact CG-CD2 3.93Å; Y908-F928 HydrophobicContact CG-CE2 4.19Å; Y908-F928 AromaticContact CZ-CD2 3.77Å; L912-F928 HydrophobicContact CD1-CB 4.42Å; L912-F928 HydrophobicContact CD1-CD1 3.44Å; L912-F928 VanDerWaalsContact CD1-CD1 3.44Å; L912-F928 HydrophobicContact CD1-CD2 3.35Å; L912-F928 HydrophobicContact CD1-CE1 3.35Å; L912-F928 HydrophobicContact CD1-CE2 3.24Å; L912-F928 HydrophobicContact CD1-CG 3.44Å; L912-F928 VanDerWaalsContact CD1-CG 3.44Å; L912-F928 HydrophobicContact CD1-CZ 3.23Å; T924-F928 PolarHBondContact O-N 3.44Å; T924-F928 VanDerWaalsContact O-N 3.08Å; I925-F928 WeakPolarHBondContact O-CB 3.3Å; I925-F928 PolarHBondContact O-N 2.96Å; F928-C930 VanDerWaalsContact C-N 3.31Å; F928-C930 PolarHBondContact O-N 3.36Å; F928-I931 PolarHBondContact O-N 3.16Å; F928-A932 HydrophobicContact CE1-CB 4.37Å; F928-A932 HydrophobicContact CZ-CB 4.31Å; F928-A932 VanDerWaalsContact O-CB 3.3Å; F928-A932 WeakPolarHBondContact O-CB 3.35Å; F928-A932 PolarHBondContact O-N 3.28Å; F928-F947 HydrophobicContact CE2-CE2 4.46Å; F928-F947 HydrophobicContact CZ-CE2 4.27Å; F928-F947 HydrophobicContact CZ-CZ 4.26Å; F928-W960 HydrophobicContact CE1-CE3 4.16Å; F928-W960 HydrophobicContact CE1-CH2 4.14Å; F928-W960 AromaticContact CE1-CZ3 3.53Å; F928-W960 HydrophobicContact CE1-CZ3 3.53Å; F928-W960 HydrophobicContact CZ-CH2 4.06Å; F928-W960 AromaticContact CZ-CZ3 3.83Å; F928-W960 HydrophobicContact CZ-CZ3 3.83Å |
| 929 | F | 83.1 | Confident | 83 | Confident | 16 Ų | 16 | 54.5 Ų | 54.5 | 7% | 0.07 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.6 | -37.2 | 179.7 | -76.7 | -64.4 | 0 | 0 | 0 | 112.4 | I925 A926 D927 A932 S933 W960 S962 L966 | I925-F929 HydrophobicContact CG2-CD2 3.73Å; I925-F929 HydrophobicContact CG2-CE2 3.42Å; I925-F929 VanDerWaalsContact CG2-CE2 3.42Å; I925-F929 WeakPolarHBondContact O-CD2 3.42Å; I925-F929 PolarHBondContact O-N 2.89Å; I925-F929 VanDerWaalsContact O-N 3.09Å; A926-F929 PolarHBondContact O-N 3.32Å; D927-F929 VanDerWaalsContact C-N 3.34Å; D927-F929 PolarHBondContact O-N 2.94Å; F929-A932 PolarHBondContact O-N 3.37Å; F929-S933 WeakPolarHBondContact O-CB 3.35Å; F929-S933 PolarHBondContact O-N 3.01Å; F929-W960 HydrophobicContact CE1-CE3 4.44Å; F929-W960 HydrophobicContact CZ-CB 4.47Å; F929-W960 HydrophobicContact CZ-CE3 4.36Å; F929-S962 WeakPolarHBondContact CE1-O 3.48Å; F929-L966 HydrophobicContact CD1-CD1 3.48Å; F929-L966 VanDerWaalsContact CD1-CD1 3.48Å; F929-L966 HydrophobicContact CD1-CD2 4.28Å; F929-L966 HydrophobicContact CD1-CG 3.64Å; F929-L966 HydrophobicContact CE1-CD1 3.74Å; F929-L966 HydrophobicContact CE1-CG 4.11Å |
| 930 | C | 84.2 | Confident | 83.9 | Confident | 78 Ų | 78 | 51.8 Ų | 51.8 | 53% | 0.527 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.6 | -44.3 | 174 | -65.1 | 0 | 0 | 0 | 0 | 111.7 | A926 D927 F928 S934 | A926-C930 PolarHBondContact O-N 3.43Å; A926-C930 PolarHBondContact O-SG 3.04Å; D927-C930 PolarHBondContact O-N 3.37Å; F928-C930 VanDerWaalsContact C-N 3.31Å; F928-C930 PolarHBondContact O-N 3.36Å; C930-S934 WeakPolarHBondContact O-CB 3.48Å; C930-S934 PolarHBondContact O-N 3.36Å |
| 931 | I | 86 | Confident | 84.3 | Confident | 11 Ų | 11 | 53.8 Ų | 53.8 | 6% | 0.056 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.3 | -46.3 | 176.3 | -65 | 164.5 | 0 | 0 | 0 | 110.5 | S888 L891 Y908 D927 F928 S933 S934 I935 | S888-I931 VanDerWaalsContact OG-CD1 3.26Å; S888-I931 WeakPolarHBondContact OG-CD1 3.36Å; L891-I931 HydrophobicContact CB-CG2 3.79Å; L891-I931 HydrophobicContact CD1-CG2 3.64Å; L891-I931 HydrophobicContact CG-CG2 4.32Å; Y908-I931 HydrophobicContact CE1-CD1 4.31Å; D927-I931 VanDerWaalsContact O-CG1 3.28Å; D927-I931 WeakPolarHBondContact O-CG1 3.25Å; D927-I931 PolarHBondContact O-N 3.47Å; F928-I931 PolarHBondContact O-N 3.16Å; I931-S933 PolarHBondContact O-N 3.21Å; I931-S934 CarbonylContact O-C 3.48Å; I931-S934 WeakPolarHBondContact O-CB 3.39Å; I931-S934 PolarHBondContact O-N 3.36Å; I931-I935 HydrophobicContact CG2-CD1 3.79Å; I931-I935 HydrophobicContact CG2-CG1 4.34Å; I931-I935 WeakPolarHBondContact O-CG1 3.28Å; I931-I935 PolarHBondContact O-N 3.45Å |
| 932 | A | 86.9 | Confident | 84.6 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.7 | -48.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F928 F929 S934 I935 L936 F947 L966 | F928-A932 HydrophobicContact CE1-CB 4.37Å; F928-A932 HydrophobicContact CZ-CB 4.31Å; F928-A932 VanDerWaalsContact O-CB 3.3Å; F928-A932 WeakPolarHBondContact O-CB 3.35Å; F928-A932 PolarHBondContact O-N 3.28Å; F929-A932 PolarHBondContact O-N 3.37Å; A932-S934 VanDerWaalsContact C-N 3.32Å; A932-S934 PolarHBondContact O-N 3.32Å; A932-I935 PolarHBondContact O-N 2.97Å; A932-I935 VanDerWaalsContact O-N 3.17Å; A932-L936 WeakPolarHBondContact O-CB 3.49Å; A932-L936 VanDerWaalsContact O-CG 3.26Å; A932-L936 WeakPolarHBondContact O-CG 3.39Å; A932-L936 PolarHBondContact O-N 3.11Å; A932-F947 HydrophobicContact CB-CE1 4.44Å; A932-F947 HydrophobicContact CB-CE2 3.67Å; A932-F947 HydrophobicContact CB-CZ 3.45Å; A932-F947 VanDerWaalsContact CB-CZ 3.45Å; A932-L966 HydrophobicContact CB-CD1 3.64Å; A932-L966 HydrophobicContact CB-CD2 4.07Å |
| 933 | S | 86.9 | Confident | 84.9 | Confident | 5 Ų | 5 | 47.6 Ų | 47.6 | 4% | 0.035 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.1 | -41.3 | 175.2 | -178.4 | 0 | 0 | 0 | 0 | 111.4 | F929 I931 I935 L936 T937 D969 C1014 | F929-S933 WeakPolarHBondContact O-CB 3.35Å; F929-S933 PolarHBondContact O-N 3.01Å; I931-S933 PolarHBondContact O-N 3.21Å; S933-I935 VanDerWaalsContact C-N 3.31Å; S933-I935 PolarHBondContact O-N 3.04Å; S933-L936 PolarHBondContact O-N 2.59Å; S933-T937 WeakPolarHBondContact O-CB 3.47Å; S933-T937 WeakPolarHBondContact O-CG2 3.33Å; S933-T937 PolarHBondContact O-N 2.98Å; S933-T937 PolarHBondContact O-OG1 3.46Å; S933-D969 WeakPolarHBondContact CB-OD2 3.31Å; S933-D969 PolarHBondContact OG-OD2 2.94Å; S933-C1014 WeakPolarHBondContact OG-CB 3.27Å |
| 934 | S | 87.3 | Confident | 85.1 | Confident | 79 Ų | 79 | 42.1 Ų | 42.1 | 55% | 0.552 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -62.5 | -35.4 | 175.1 | -174.6 | 0 | 0 | 0 | 0 | 113.1 | C930 I931 A932 G938 | C930-S934 WeakPolarHBondContact O-CB 3.48Å; C930-S934 PolarHBondContact O-N 3.36Å; I931-S934 CarbonylContact O-C 3.48Å; I931-S934 WeakPolarHBondContact O-CB 3.39Å; I931-S934 PolarHBondContact O-N 3.36Å; A932-S934 VanDerWaalsContact C-N 3.32Å; A932-S934 PolarHBondContact O-N 3.32Å; S934-G938 PolarHBondContact O-N 3.48Å; S934-G938 VanDerWaalsContact O-N 3.17Å |
| 935 | I | 88 | Confident | 85.3 | Confident | 12 Ų | 12 | 41.1 Ų | 41.1 | 6% | 0.062 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.5 | -52.2 | 175.8 | -69.9 | 167.3 | 0 | 0 | 0 | 109.7 | L891 I931 A932 S933 T937 G938 L943 I944 F947 | L891-I935 HydrophobicContact CD1-CD1 4.33Å; L891-I935 HydrophobicContact CD2-CD1 4.09Å; I931-I935 HydrophobicContact CG2-CD1 3.79Å; I931-I935 HydrophobicContact CG2-CG1 4.34Å; I931-I935 WeakPolarHBondContact O-CG1 3.28Å; I931-I935 PolarHBondContact O-N 3.45Å; A932-I935 PolarHBondContact O-N 2.97Å; A932-I935 VanDerWaalsContact O-N 3.17Å; S933-I935 VanDerWaalsContact C-N 3.31Å; S933-I935 PolarHBondContact O-N 3.04Å; I935-T937 PolarHBondContact O-N 2.88Å; I935-G938 PolarHBondContact O-N 3.16Å; I935-L943 HydrophobicContact CG1-CD2 4.11Å; I935-L943 HydrophobicContact CG2-CD2 4.05Å; I935-L943 HydrophobicContact CG2-CG 3.86Å; I935-I944 WeakPolarHBondContact O-CG1 3.29Å; I935-F947 HydrophobicContact CD1-CD2 4.14Å; I935-F947 HydrophobicContact CG2-CB 3.92Å; I935-F947 HydrophobicContact CG2-CD2 4.22Å; I935-F947 HydrophobicContact CG2-CG 4.21Å |
| 936 | L | 88 | Confident | 85.7 | Confident | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.8 | -33.2 | -177 | -69 | 170.2 | 0 | 0 | 0 | 112.8 | A932 S933 I944 F947 L948 L966 D969 L970 A973 | A932-L936 WeakPolarHBondContact O-CB 3.49Å; A932-L936 VanDerWaalsContact O-CG 3.26Å; A932-L936 WeakPolarHBondContact O-CG 3.39Å; A932-L936 PolarHBondContact O-N 3.11Å; S933-L936 PolarHBondContact O-N 2.59Å; L936-I944 WeakPolarHBondContact O-CD1 3.36Å; L936-F947 HydrophobicContact CD1-CD1 4.47Å; L936-F947 HydrophobicContact CD1-CE1 4.06Å; L936-F947 HydrophobicContact CD2-CD1 3.63Å; L936-F947 HydrophobicContact CD2-CE1 4.05Å; L936-F947 HydrophobicContact CD2-CG 4.42Å; L936-F947 HydrophobicContact CG-CD1 4.09Å; L936-F947 HydrophobicContact CG-CE1 4.14Å; L936-L948 HydrophobicContact CD2-CD2 4Å; L936-L948 HydrophobicContact CD2-CG 4.5Å; L936-L966 HydrophobicContact CD1-CD2 4.43Å; L936-D969 HydrophobicContact CB-CB 4.19Å; L936-D969 HydrophobicContact CD1-CB 3.99Å; L936-L970 HydrophobicContact CD1-CD2 3.69Å; L936-L970 HydrophobicContact CD1-CG 3.81Å; L936-L970 HydrophobicContact CD2-CD2 3.96Å; L936-L970 HydrophobicContact CG-CD2 4.49Å; L936-A973 HydrophobicContact CB-CB 4.21Å; L936-A973 HydrophobicContact CD2-CB 3.67Å |
| 937 | T | 86.8 | Confident | 86 | Confident | 59 Ų | 59 | 37.5 Ų | 37.5 | 36% | 0.362 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -1.3 | 177.9 | 60.6 | 0 | 0 | 0 | 0 | 113.6 | S933 I935 Q1015 | S933-T937 WeakPolarHBondContact O-CB 3.47Å; S933-T937 WeakPolarHBondContact O-CG2 3.33Å; S933-T937 PolarHBondContact O-N 2.98Å; S933-T937 PolarHBondContact O-OG1 3.46Å; I935-T937 PolarHBondContact O-N 2.88Å; T937-Q1015 PolarHBondContact OG1-NE2 2.85Å |
| 938 | G | 86.2 | Confident | 86 | Confident | 24 Ų | 24 | 35.2 Ų | 35.2 | 25% | 0.247 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -72 | 177.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114 | S934 I935 R976 | S934-G938 PolarHBondContact O-N 3.48Å; S934-G938 VanDerWaalsContact O-N 3.17Å; I935-G938 PolarHBondContact O-N 3.16Å; G938-R976 VanDerWaalsContact O-CZ 3.24Å; G938-R976 PolarHBondContact O-NH1 3.48Å; G938-R976 PolarHBondContact O-NH2 3.2Å |
| 939 | R | 83.8 | Confident | 85.9 | Confident | 241 Ų | 241 | 37 Ų | 37 | 91% | 0.909 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -90.5 | -21.3 | -179.4 | -63.4 | -178.5 | -177.4 | 173.9 | 0.6 | 114 | N941 | R939-N941 PolarHBondContact O-N 2.85Š|
| 940 | E | 84.9 | Confident | 85.8 | Confident | 54 Ų | 54 | 37.1 Ų | 37.1 | 25% | 0.252 | 21% | 0.208 | S | C | . | . | trans | -79.2 | 96.3 | -174.1 | -66.4 | 169.5 | -147.2 | 0 | 0 | 111.9 | K901 A942 L943 I944 | K901-E940 IonicContact NZ-OE1 3.3Å; K901-E940 PolarHBondContact NZ-OE1 3.17Å; K901-E940 IonicContact NZ-OE2 3.46Å; K901-E940 PolarHBondContact NZ-OE2 2.82Å; E940-A942 VanDerWaalsContact C-N 3.31Å; E940-A942 PolarHBondContact O-N 2.89Å; E940-L943 HydrophobicContact CB-CB 3.91Å; E940-L943 PolarHBondContact O-N 3.1Å; E940-I944 PolarHBondContact O-N 3.48Å; E940-I944 VanDerWaalsContact O-N 3.14Å | ||
| 941 | N | 85.1 | Confident | 85.6 | Confident | 61 Ų | 61 | 33.4 Ų | 33.4 | 33% | 0.326 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60.2 | -36.8 | -179.3 | -71.6 | -19.4 | 0 | 0 | 0 | 113.3 | R939 L943 I944 N945 R976 I977 | R939-N941 PolarHBondContact O-N 2.85Å; N941-L943 VanDerWaalsContact C-N 3.33Å; N941-L943 PolarHBondContact O-N 2.94Å; N941-I944 PolarHBondContact O-N 3.41Å; N941-N945 WeakPolarHBondContact O-CB 3.27Å; N941-N945 PolarHBondContact O-N 3.46Å; N941-R976 PolarHBondContact OD1-NE 3.44Å; N941-R976 PolarHBondContact OD1-NH2 2.77Å; N941-I977 HydrophobicContact CB-CD1 3.96Å |
| 942 | A | 83.3 | Confident | 84.9 | Confident | 55 Ų | 55 | 33.4 Ų | 33.4 | 46% | 0.455 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -63.1 | -37.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E940 T946 | E940-A942 VanDerWaalsContact C-N 3.31Å; E940-A942 PolarHBondContact O-N 2.89Å; A942-T946 WeakPolarHBondContact O-CB 3.24Å; A942-T946 PolarHBondContact O-N 3.23Å; A942-T946 PolarHBondContact O-OG1 3.06Å |
| 943 | L | 86.1 | Confident | 83.9 | Confident | 9 Ų | 9 | 36.1 Ų | 36.1 | 5% | 0.047 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.5 | -39.1 | 177.3 | -172.2 | 65.7 | 0 | 0 | 0 | 111.3 | K901 M902 I935 E940 N941 T946 F947 | K901-L943 HydrophobicContact CB-CD1 3.84Å; M902-L943 HydrophobicContact CG-CD1 4.1Å; I935-L943 HydrophobicContact CG1-CD2 4.11Å; I935-L943 HydrophobicContact CG2-CD2 4.05Å; I935-L943 HydrophobicContact CG2-CG 3.86Å; E940-L943 HydrophobicContact CB-CB 3.91Å; E940-L943 PolarHBondContact O-N 3.1Å; N941-L943 VanDerWaalsContact C-N 3.33Å; N941-L943 PolarHBondContact O-N 2.94Å; L943-T946 PolarHBondContact O-N 3.12Å; L943-F947 WeakPolarHBondContact O-CB 3.46Å; L943-F947 PolarHBondContact O-N 2.72Å |
| 944 | I | 88.1 | Confident | 83.1 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.7 | -48.7 | 174.5 | -68 | 173.2 | 0 | 0 | 0 | 110.8 | I935 L936 E940 N941 T946 F947 L948 A973 I977 | I935-I944 WeakPolarHBondContact O-CG1 3.29Å; L936-I944 WeakPolarHBondContact O-CD1 3.36Å; E940-I944 PolarHBondContact O-N 3.48Å; E940-I944 VanDerWaalsContact O-N 3.14Å; N941-I944 PolarHBondContact O-N 3.41Å; I944-T946 VanDerWaalsContact C-N 3.28Å; I944-T946 PolarHBondContact O-N 3.01Å; I944-F947 WeakPolarHBondContact O-CB 3.34Å; I944-F947 PolarHBondContact O-N 3.46Å; I944-F947 VanDerWaalsContact O-N 3.09Å; I944-L948 HydrophobicContact CG2-CD1 3.93Å; I944-L948 HydrophobicContact CG2-CG 4.24Å; I944-L948 WeakPolarHBondContact O-CG 3.37Å; I944-L948 PolarHBondContact O-N 3Å; I944-A973 HydrophobicContact CG2-CB 3.85Å; I944-I977 HydrophobicContact CB-CD1 4.19Å; I944-I977 HydrophobicContact CB-CG1 4.48Å; I944-I977 HydrophobicContact CG2-CD1 3.96Å; I944-I977 HydrophobicContact CG2-CG1 3.71Å |
| 945 | N | 86.3 | Confident | 82.3 | Confident | 17 Ų | 17 | 32.6 Ų | 32.6 | 9% | 0.091 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.6 | -46.7 | 176.3 | -175 | 31.1 | 0 | 0 | 0 | 110.3 | N941 F947 L948 V949 I977 S988 | N941-N945 WeakPolarHBondContact O-CB 3.27Å; N941-N945 PolarHBondContact O-N 3.46Å; N945-F947 VanDerWaalsContact C-N 3.33Å; N945-F947 PolarHBondContact O-N 3.01Å; N945-L948 PolarHBondContact O-N 3.13Å; N945-V949 WeakPolarHBondContact O-CB 3.49Å; N945-V949 VanDerWaalsContact O-CG2 3.29Å; N945-V949 WeakPolarHBondContact O-CG2 3.34Å; N945-V949 PolarHBondContact O-N 2.79Å; N945-I977 HydrophobicContact CB-CD1 4.42Å; N945-S988 PolarHBondContact ND2-O 3.14Å |
| 946 | T | 86.7 | Confident | 81.3 | Confident | 6 Ų | 6 | 32.1 Ų | 32.1 | 4% | 0.037 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.1 | -42.8 | 175.4 | -58.3 | 0 | 0 | 0 | 0 | 112.2 | M902 R906 A942 L943 I944 S950 | M902-T946 HydrophobicContact CB-CG2 4Å; M902-T946 WeakPolarHBondContact CE-OG1 3.24Å; M902-T946 HydrophobicContact CG-CG2 4.33Å; R906-T946 HydrophobicContact CG-CG2 3.93Å; A942-T946 WeakPolarHBondContact O-CB 3.24Å; A942-T946 PolarHBondContact O-N 3.23Å; A942-T946 PolarHBondContact O-OG1 3.06Å; L943-T946 PolarHBondContact O-N 3.12Å; I944-T946 VanDerWaalsContact C-N 3.28Å; I944-T946 PolarHBondContact O-N 3.01Å; T946-S950 WeakPolarHBondContact O-CB 3.47Å; T946-S950 PolarHBondContact O-N 2.73Å; T946-S950 PolarHBondContact O-OG 3.43Å |
| 947 | F | 88 | Confident | 80.4 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.018 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.5 | -49.3 | 176.9 | -173.4 | -82.7 | 0 | 0 | 0 | 111.3 | T905 F928 A932 I935 L936 L943 I944 N945 V949 S950 C951 L970 | T905-F947 HydrophobicContact CG2-CB 3.81Å; T905-F947 HydrophobicContact CG2-CD2 3.57Å; T905-F947 HydrophobicContact CG2-CG 4.1Å; F928-F947 HydrophobicContact CE2-CE2 4.46Å; F928-F947 HydrophobicContact CZ-CE2 4.27Å; F928-F947 HydrophobicContact CZ-CZ 4.26Å; A932-F947 HydrophobicContact CB-CE1 4.44Å; A932-F947 HydrophobicContact CB-CE2 3.67Å; A932-F947 HydrophobicContact CB-CZ 3.45Å; A932-F947 VanDerWaalsContact CB-CZ 3.45Å; I935-F947 HydrophobicContact CD1-CD2 4.14Å; I935-F947 HydrophobicContact CG2-CB 3.92Å; I935-F947 HydrophobicContact CG2-CD2 4.22Å; I935-F947 HydrophobicContact CG2-CG 4.21Å; L936-F947 HydrophobicContact CD1-CD1 4.47Å; L936-F947 HydrophobicContact CD1-CE1 4.06Å; L936-F947 HydrophobicContact CD2-CD1 3.63Å; L936-F947 HydrophobicContact CD2-CE1 4.05Å; L936-F947 HydrophobicContact CD2-CG 4.42Å; L936-F947 HydrophobicContact CG-CD1 4.09Å; L936-F947 HydrophobicContact CG-CE1 4.14Å; L943-F947 WeakPolarHBondContact O-CB 3.46Å; L943-F947 PolarHBondContact O-N 2.72Å; I944-F947 WeakPolarHBondContact O-CB 3.34Å; I944-F947 PolarHBondContact O-N 3.46Å; I944-F947 VanDerWaalsContact O-N 3.09Å; N945-F947 VanDerWaalsContact C-N 3.33Å; N945-F947 PolarHBondContact O-N 3.01Å; F947-V949 PolarHBondContact O-N 3.21Å; F947-S950 PolarHBondContact O-N 3.07Å; F947-C951 HydrophobicContact CD1-CB 4.25Å; F947-C951 HydrophobicContact CE1-CB 3.93Å; F947-C951 HydrophobicContact CZ-CB 4.35Å; F947-C951 VanDerWaalsContact O-CB 3.25Å; F947-C951 WeakPolarHBondContact O-CB 3.25Å; F947-C951 PolarHBondContact O-N 2.98Å; F947-C951 PolarHBondContact O-SG 3.48Å; F947-L970 HydrophobicContact CD1-CD2 4.5Å; F947-L970 HydrophobicContact CE1-CD2 4.05Å |
| 948 | L | 85.9 | Confident | 79.4 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.8 | -47.6 | 179.8 | -68.7 | 175 | 0 | 0 | 0 | 111.6 | L936 I944 N945 S950 C951 S952 L970 I977 V994 F997 | L936-L948 HydrophobicContact CD2-CD2 4Å; L936-L948 HydrophobicContact CD2-CG 4.5Å; I944-L948 HydrophobicContact CG2-CD1 3.93Å; I944-L948 HydrophobicContact CG2-CG 4.24Å; I944-L948 WeakPolarHBondContact O-CG 3.37Å; I944-L948 PolarHBondContact O-N 3Å; N945-L948 PolarHBondContact O-N 3.13Å; L948-S950 PolarHBondContact O-N 2.67Å; L948-C951 PolarHBondContact O-SG 3.36Å; L948-C951 VanDerWaalsContact O-SG 3.36Å; L948-S952 WeakPolarHBondContact O-CB 3.19Å; L948-S952 PolarHBondContact O-N 2.99Å; L948-L970 HydrophobicContact CD2-CD2 3.86Å; L948-I977 HydrophobicContact CD1-CG1 4.05Å; L948-V994 HydrophobicContact CD1-CG2 4.3Å; L948-F997 HydrophobicContact CD2-CD1 4.3Å; L948-F997 HydrophobicContact CD2-CE1 4.06Å |
| 949 | V | 82.6 | Confident | 78.6 | Confident | 40 Ų | 40 | 35.8 Ų | 35.8 | 24% | 0.242 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.1 | -38.3 | 177.2 | 175.5 | 0 | 0 | 0 | 0 | 111.8 | N945 F947 S952 D990 N993 | N945-V949 WeakPolarHBondContact O-CB 3.49Å; N945-V949 VanDerWaalsContact O-CG2 3.29Å; N945-V949 WeakPolarHBondContact O-CG2 3.34Å; N945-V949 PolarHBondContact O-N 2.79Å; F947-V949 PolarHBondContact O-N 3.21Å; V949-S952 PolarHBondContact O-OG 3.37Å; V949-D990 HydrophobicContact CG2-CB 4.11Å; V949-N993 HydrophobicContact CG2-CB 3.91Å |
| 950 | S | 81.6 | Confident | 77.7 | Confident | 19 Ų | 19 | 24.7 Ų | 24.7 | 13% | 0.133 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -76.8 | -34.9 | -178.8 | -54.6 | 0 | 0 | 0 | 0 | 112.8 | R906 T946 F947 L948 S954 | R906-S950 WeakPolarHBondContact CG-OG 3.46Å; T946-S950 WeakPolarHBondContact O-CB 3.47Å; T946-S950 PolarHBondContact O-N 2.73Å; T946-S950 PolarHBondContact O-OG 3.43Å; F947-S950 PolarHBondContact O-N 3.07Å; L948-S950 PolarHBondContact O-N 2.67Å; S950-S954 PolarHBondContact O-OG 3.38Å |
| 951 | C | 78.6 | Confident | 76.4 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -80.7 | -23.5 | -179.8 | 78.1 | 0 | 0 | 0 | 0 | 111.9 | F947 L948 A953 S954 L955 | F947-C951 HydrophobicContact CD1-CB 4.25Å; F947-C951 HydrophobicContact CE1-CB 3.93Å; F947-C951 HydrophobicContact CZ-CB 4.35Å; F947-C951 VanDerWaalsContact O-CB 3.25Å; F947-C951 WeakPolarHBondContact O-CB 3.25Å; F947-C951 PolarHBondContact O-N 2.98Å; F947-C951 PolarHBondContact O-SG 3.48Å; L948-C951 PolarHBondContact O-SG 3.36Å; L948-C951 VanDerWaalsContact O-SG 3.36Å; C951-A953 PolarHBondContact O-N 2.58Å; C951-S954 PolarHBondContact O-N 2.71Å; C951-S954 VanDerWaalsContact O-N 3.14Å; C951-L955 WeakPolarHBondContact O-CB 3.32Å; C951-L955 PolarHBondContact O-N 3.47Å |
| 952 | S | 71.4 | Confident | 75.6 | Confident | 12 Ų | 12 | 26.9 Ų | 26.9 | 8% | 0.084 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -54.8 | -56.5 | -176.8 | 64.4 | 0 | 0 | 0 | 0 | 112 | L948 V949 S954 V956 | L948-S952 WeakPolarHBondContact O-CB 3.19Å; L948-S952 PolarHBondContact O-N 2.99Å; V949-S952 PolarHBondContact O-OG 3.37Å; S952-S954 VanDerWaalsContact C-N 3.27Å; S952-S954 PolarHBondContact O-N 3.33Å; S952-V956 VanDerWaalsContact O-CB 3.24Å; S952-V956 WeakPolarHBondContact O-CB 3.44Å; S952-V956 WeakPolarHBondContact O-CG2 3.41Å; S952-V956 PolarHBondContact O-N 2.88Å; S952-V956 VanDerWaalsContact O-N 3.16Å |
| 953 | A | 67.6 | Low | 75.1 | Confident | 57 Ų | 57 | 24.4 Ų | 24.4 | 47% | 0.471 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -61.4 | -36.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | C951 R957 | C951-A953 PolarHBondContact O-N 2.58Å; A953-R957 WeakPolarHBondContact O-CB 3.49Å; A953-R957 PolarHBondContact O-N 3.08Å |
| 954 | S | 68.4 | Low | 74.5 | Confident | 6 Ų | 6 | 25.1 Ų | 25.1 | 4% | 0.042 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -78.8 | -48.6 | -172.8 | -66.4 | 0 | 0 | 0 | 0 | 113.1 | C909 S913 S950 C951 S952 E958 | C909-S954 PolarHBondContact O-OG 3.41Å; C909-S954 VanDerWaalsContact O-OG 3.13Å; S913-S954 VanDerWaalsContact CB-CB 3.49Å; S913-S954 VanDerWaalsContact CB-OG 3.29Å; S913-S954 WeakPolarHBondContact CB-OG 3.09Å; S913-S954 PolarHBondContact OG-OG 2.84Å; S950-S954 PolarHBondContact O-OG 3.38Å; C951-S954 PolarHBondContact O-N 2.71Å; C951-S954 VanDerWaalsContact O-N 3.14Å; S952-S954 VanDerWaalsContact C-N 3.27Å; S952-S954 PolarHBondContact O-N 3.33Å; S954-E958 PolarHBondContact O-N 3.19Å |
| 955 | L | 71 | Confident | 73.9 | Confident | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -70.4 | -37.9 | -177.6 | -172.2 | 141.9 | 0 | 0 | 0 | 110.7 | C951 L959 C963 L970 F997 I1001 | C951-L955 WeakPolarHBondContact O-CB 3.32Å; C951-L955 PolarHBondContact O-N 3.47Å; L955-L959 WeakPolarHBondContact O-CA 3.43Å; L955-L959 PolarHBondContact O-N 3.4Å; L955-C963 HydrophobicContact CD1-CB 3.77Å; L955-C963 HydrophobicContact CG-CB 4.09Å; L955-L970 HydrophobicContact CD1-CD1 3.86Å; L955-F997 HydrophobicContact CD2-CE2 4Å; L955-F997 HydrophobicContact CD2-CZ 4.43Å; L955-I1001 HydrophobicContact CD2-CG2 4.03Å |
| 956 | V | 68.2 | Low | 73.7 | Confident | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.012 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -74.1 | -36.2 | 178.5 | 178.7 | 0 | 0 | 0 | 0 | 111.9 | S952 F997 I1001 R1587 D1606 I1608 | S952-V956 VanDerWaalsContact O-CB 3.24Å; S952-V956 WeakPolarHBondContact O-CB 3.44Å; S952-V956 WeakPolarHBondContact O-CG2 3.41Å; S952-V956 PolarHBondContact O-N 2.88Å; S952-V956 VanDerWaalsContact O-N 3.16Å; V956-F997 HydrophobicContact CG2-CD2 4.39Å; V956-I1001 HydrophobicContact CG2-CG2 4.48Å; V956-R1587 HydrophobicContact CG1-CG 4.49Å; V956-R1587 WeakPolarHBondContact O-CD 3.49Å; V956-D1606 HydrophobicContact CG1-CB 3.64Å; V956-D1606 WeakPolarHBondContact CG1-O 3.4Å; V956-I1608 HydrophobicContact CB-CD1 4.47Å; V956-I1608 HydrophobicContact CG1-CD1 4.01Å; V956-I1608 HydrophobicContact CG1-CG1 3.84Å; V956-I1608 HydrophobicContact CG2-CD1 4.44Å |
| 957 | R | 68.9 | Low | 73.5 | Confident | 75 Ų | 75 | 28.3 Ų | 28.3 | 28% | 0.283 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -63.4 | -49 | 178.2 | 179.2 | 163.4 | 76.7 | 176.6 | 1 | 113.8 | S913 A953 R1587 | S913-R957 PolarHBondContact O-NH2 3.1Å; A953-R957 WeakPolarHBondContact O-CB 3.49Å; A953-R957 PolarHBondContact O-N 3.08Å; R957-R1587 VanDerWaalsContact CG-NH1 3.33Å |
| 958 | E | 66 | Low | 73.3 | Confident | 66 Ų | 66 | 28.3 Ų | 28.3 | 31% | 0.308 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -106.3 | -17.8 | -172 | -69.6 | -167.6 | 159.5 | 0 | 0 | 114.6 | S954 W960 | S954-E958 PolarHBondContact O-N 3.19Å; E958-W960 PolarHBondContact OE2-NE1 3.18Å |
| 959 | L | 68.8 | Low | 73.3 | Confident | 23 Ų | 23 | 29.2 Ų | 29.2 | 12% | 0.12 | 17% | 0.166 | C | C | . | . | trans | 42.1 | 71.4 | -171.4 | -168 | 71.7 | 0 | 0 | 0 | 112.3 | L955 L1004 L1581 L1585 I1608 | L955-L959 WeakPolarHBondContact O-CA 3.43Å; L955-L959 PolarHBondContact O-N 3.4Å; L959-L1004 HydrophobicContact CD1-CD1 3.56Å; L959-L1004 HydrophobicContact CD1-CD2 3.7Å; L959-L1004 HydrophobicContact CD1-CG 4.3Å; L959-L1004 HydrophobicContact CD2-CD2 4.02Å; L959-L1581 HydrophobicContact CB-CD1 4.12Å; L959-L1581 HydrophobicContact CD2-CD1 4.3Å; L959-L1585 HydrophobicContact CD2-CB 4.48Å; L959-L1585 HydrophobicContact CD2-CD1 3.4Å; L959-I1608 HydrophobicContact CD1-CD1 4.24Å | ||
| 960 | W | 64.8 | Low | 73.5 | Confident | 9 Ų | 9 | 27.3 Ų | 27.3 | 3% | 0.034 | 16% | 0.155 | C | C | . | . | trans | -51.6 | 134.8 | -174.7 | -54.2 | -38.4 | 0 | 0 | 0 | 111.2 | L912 F928 F929 E958 S962 C963 | L912-W960 HydrophobicContact CB-CH2 3.84Å; L912-W960 HydrophobicContact CB-CZ2 3.3Å; L912-W960 HydrophobicContact CD1-CH2 3.97Å; L912-W960 HydrophobicContact CD1-CZ2 4.25Å; L912-W960 HydrophobicContact CD1-CZ3 4.39Å; L912-W960 HydrophobicContact CG-CZ2 4.41Å; L912-W960 PolarHBondContact O-NE1 2.89Å; L912-W960 VanDerWaalsContact O-NE1 3.13Å; F928-W960 HydrophobicContact CE1-CE3 4.16Å; F928-W960 HydrophobicContact CE1-CH2 4.14Å; F928-W960 AromaticContact CE1-CZ3 3.53Å; F928-W960 HydrophobicContact CE1-CZ3 3.53Å; F928-W960 HydrophobicContact CZ-CH2 4.06Å; F928-W960 AromaticContact CZ-CZ3 3.83Å; F928-W960 HydrophobicContact CZ-CZ3 3.83Å; F929-W960 HydrophobicContact CE1-CE3 4.44Å; F929-W960 HydrophobicContact CZ-CB 4.47Å; F929-W960 HydrophobicContact CZ-CE3 4.36Å; E958-W960 PolarHBondContact OE2-NE1 3.18Å; W960-S962 PolarHBondContact O-N 2.77Å; W960-C963 HydrophobicContact CB-CB 4.12Å; W960-C963 VanDerWaalsContact O-CB 3.3Å; W960-C963 WeakPolarHBondContact O-CB 3.33Å; W960-C963 PolarHBondContact O-N 3.08Å; W960-C963 PolarHBondContact O-SG 3.43Å | ||
| 961 | P | 58.2 | Low | 73.7 | Confident | 118 Ų | 118 | 26.5 Ų | 26.5 | 77% | 0.766 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -32.4 | -173.8 | -29.3 | 33.6 | 0 | 0 | 0 | 114.6 | ||
| 962 | S | 68 | Low | 74.1 | Confident | 42 Ų | 42 | 29.1 Ų | 29.1 | 29% | 0.294 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 3.9 | 179.8 | -57.6 | 0 | 0 | 0 | 0 | 114.1 | F929 W960 L964 F965 | F929-S962 WeakPolarHBondContact CE1-O 3.48Å; W960-S962 PolarHBondContact O-N 2.77Å; S962-L964 PolarHBondContact O-N 2.95Å; S962-F965 WeakPolarHBondContact O-CD2 3.36Å; S962-F965 PolarHBondContact O-N 3.02Å |
| 963 | C | 71.4 | Confident | 74.9 | Confident | 3 Ų | 3 | 28.7 Ų | 28.7 | 2% | 0.02 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -62.5 | -25 | 177.5 | 72 | 0 | 0 | 0 | 0 | 112.9 | L955 W960 F965 L966 L967 | L955-C963 HydrophobicContact CD1-CB 3.77Å; L955-C963 HydrophobicContact CG-CB 4.09Å; W960-C963 HydrophobicContact CB-CB 4.12Å; W960-C963 VanDerWaalsContact O-CB 3.3Å; W960-C963 WeakPolarHBondContact O-CB 3.33Å; W960-C963 PolarHBondContact O-N 3.08Å; W960-C963 PolarHBondContact O-SG 3.43Å; C963-F965 PolarHBondContact O-N 3.48Å; C963-F965 VanDerWaalsContact O-N 3.15Å; C963-L966 PolarHBondContact O-N 3Å; C963-L967 PolarHBondContact O-N 3.33Å |
| 964 | L | 73.8 | Confident | 75.9 | Confident | 24 Ų | 24 | 26 Ų | 26 | 13% | 0.126 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -61 | -22.4 | 177.8 | -59 | 178.8 | 0 | 0 | 0 | 113.1 | S962 L966 L967 L1004 F1011 | S962-L964 PolarHBondContact O-N 2.95Å; L964-L966 VanDerWaalsContact C-N 3.32Å; L964-L967 HydrophobicContact CD2-CD2 4.44Å; L964-L967 WeakPolarHBondContact O-CB 3.34Å; L964-L967 PolarHBondContact O-N 2.77Å; L964-L1004 HydrophobicContact CD2-CB 4.48Å; L964-F1011 HydrophobicContact CD2-CE1 4.4Å |
| 965 | F | 75.5 | Confident | 76.7 | Confident | 86 Ų | 86 | 25.9 Ų | 25.9 | 38% | 0.377 | 15% | 0.145 | S | C | . | . | G | 310 helix | trans | -70.3 | -28 | 173.3 | -71.8 | -80.3 | 0 | 0 | 0 | 112.9 | S962 C963 P1012 | S962-F965 WeakPolarHBondContact O-CD2 3.36Å; S962-F965 PolarHBondContact O-N 3.02Å; C963-F965 PolarHBondContact O-N 3.48Å; C963-F965 VanDerWaalsContact O-N 3.15Å; F965-P1012 HydrophobicContact CD1-CB 4.05Å; F965-P1012 HydrophobicContact CD1-CG 3.43Å; F965-P1012 VanDerWaalsContact CD1-CG 3.43Å; F965-P1012 HydrophobicContact CE1-CB 3.99Å; F965-P1012 HydrophobicContact CE1-CG 3.3Å; F965-P1012 HydrophobicContact CG-CG 4.47Å; F965-P1012 HydrophobicContact CZ-CG 4.28Å |
| 966 | L | 81.7 | Confident | 77.4 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | -12.8 | 176.7 | -64.9 | 178.6 | 0 | 0 | 0 | 112.5 | F929 A932 L936 C963 L964 D969 L970 | F929-L966 HydrophobicContact CD1-CD1 3.48Å; F929-L966 VanDerWaalsContact CD1-CD1 3.48Å; F929-L966 HydrophobicContact CD1-CD2 4.28Å; F929-L966 HydrophobicContact CD1-CG 3.64Å; F929-L966 HydrophobicContact CE1-CD1 3.74Å; F929-L966 HydrophobicContact CE1-CG 4.11Å; A932-L966 HydrophobicContact CB-CD1 3.64Å; A932-L966 HydrophobicContact CB-CD2 4.07Å; L936-L966 HydrophobicContact CD1-CD2 4.43Å; C963-L966 PolarHBondContact O-N 3Å; L964-L966 VanDerWaalsContact C-N 3.32Å; L966-D969 CarbonylContact O-C 2.96Å; L966-D969 PolarHBondContact O-N 3.37Å; L966-L970 HydrophobicContact CB-CD1 3.72Å; L966-L970 HydrophobicContact CB-CG 4.04Å; L966-L970 WeakPolarHBondContact O-CB 2.98Å; L966-L970 VanDerWaalsContact O-CG 3.29Å; L966-L970 WeakPolarHBondContact O-CG 3.45Å; L966-L970 PolarHBondContact O-N 3.44Å |
| 967 | L | 83 | Confident | 78.2 | Confident | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -55.1 | -43.6 | -171.4 | -169.9 | 66.3 | 0 | 0 | 0 | 113.2 | C963 L964 L970 V971 I1001 L1004 F1011 L1026 | C963-L967 PolarHBondContact O-N 3.33Å; L964-L967 HydrophobicContact CD2-CD2 4.44Å; L964-L967 WeakPolarHBondContact O-CB 3.34Å; L964-L967 PolarHBondContact O-N 2.77Å; L967-L970 PolarHBondContact O-N 3.05Å; L967-V971 VanDerWaalsContact O-CG2 3.32Å; L967-V971 WeakPolarHBondContact O-CG2 3.09Å; L967-V971 PolarHBondContact O-N 3.2Å; L967-I1001 HydrophobicContact CD1-CB 4.36Å; L967-I1001 HydrophobicContact CD1-CD1 3.81Å; L967-I1001 HydrophobicContact CD1-CG1 4.42Å; L967-L1004 HydrophobicContact CD1-CB 4.34Å; L967-L1004 HydrophobicContact CD1-CD1 4.22Å; L967-L1004 HydrophobicContact CD2-CB 3.75Å; L967-F1011 HydrophobicContact CD2-CD1 4.1Å; L967-F1011 HydrophobicContact CD2-CE1 3.72Å; L967-F1011 HydrophobicContact CD2-CZ 4.23Å; L967-L1026 HydrophobicContact CD2-CD2 3.6Å; L967-L1026 HydrophobicContact CG-CD2 3.91Å |
| 968 | P | 83.7 | Confident | 78.7 | Confident | 4 Ų | 4 | 25.9 Ų | 25.9 | 3% | 0.026 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62 | -44.5 | 173.5 | -23.7 | 36.1 | 0 | 0 | 0 | 113.4 | L970 V971 A972 F1011 T1013 M1021 | P968-L970 VanDerWaalsContact C-N 3.34Å; P968-V971 PolarHBondContact O-N 2.95Å; P968-A972 WeakPolarHBondContact O-CB 3.48Å; P968-A972 PolarHBondContact O-N 3.3Å; P968-F1011 HydrophobicContact CG-CB 3.93Å; P968-T1013 HydrophobicContact CB-CG2 4.25Å; P968-T1013 HydrophobicContact CG-CG2 4.35Å; P968-M1021 HydrophobicContact CB-CE 3.81Å; P968-M1021 HydrophobicContact CB-SD 3.91Å; P968-M1021 HydrophobicContact CG-CB 4.49Å; P968-M1021 HydrophobicContact CG-SD 4.34Å |
| 969 | D | 86.2 | Confident | 79.3 | Confident | 19 Ų | 19 | 27.9 Ų | 27.9 | 10% | 0.102 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.7 | -38 | -179.3 | -65 | -10.5 | 0 | 0 | 0 | 111 | S933 L936 L966 A973 | S933-D969 WeakPolarHBondContact CB-OD2 3.31Å; S933-D969 PolarHBondContact OG-OD2 2.94Å; L936-D969 HydrophobicContact CB-CB 4.19Å; L936-D969 HydrophobicContact CD1-CB 3.99Å; L966-D969 CarbonylContact O-C 2.96Å; L966-D969 PolarHBondContact O-N 3.37Å; D969-A973 WeakPolarHBondContact O-CB 3.46Å; D969-A973 PolarHBondContact O-N 2.63Å |
| 970 | L | 86.6 | Confident | 79.7 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.7 | -49.9 | 176.6 | -77.8 | 164.9 | 0 | 0 | 0 | 111.3 | L936 F947 L948 L955 L966 L967 P968 A973 S974 F997 | L936-L970 HydrophobicContact CD1-CD2 3.69Å; L936-L970 HydrophobicContact CD1-CG 3.81Å; L936-L970 HydrophobicContact CD2-CD2 3.96Å; L936-L970 HydrophobicContact CG-CD2 4.49Å; F947-L970 HydrophobicContact CD1-CD2 4.5Å; F947-L970 HydrophobicContact CE1-CD2 4.05Å; L948-L970 HydrophobicContact CD2-CD2 3.86Å; L955-L970 HydrophobicContact CD1-CD1 3.86Å; L966-L970 HydrophobicContact CB-CD1 3.72Å; L966-L970 HydrophobicContact CB-CG 4.04Å; L966-L970 WeakPolarHBondContact O-CB 2.98Å; L966-L970 VanDerWaalsContact O-CG 3.29Å; L966-L970 WeakPolarHBondContact O-CG 3.45Å; L966-L970 PolarHBondContact O-N 3.44Å; L967-L970 PolarHBondContact O-N 3.05Å; P968-L970 VanDerWaalsContact C-N 3.34Å; L970-A973 PolarHBondContact O-N 3.17Å; L970-S974 WeakPolarHBondContact O-CB 3.31Å; L970-S974 PolarHBondContact O-N 3.13Å; L970-S974 PolarHBondContact O-OG 3.48Å; L970-S974 VanDerWaalsContact O-OG 3.07Å; L970-F997 HydrophobicContact CB-CE1 4.14Å; L970-F997 HydrophobicContact CB-CZ 4.35Å; L970-F997 HydrophobicContact CD1-CZ 4.02Å; L970-F997 HydrophobicContact CD2-CE1 3.96Å; L970-F997 HydrophobicContact CD2-CZ 3.84Å; L970-F997 HydrophobicContact CG-CE1 4.47Å; L970-F997 HydrophobicContact CG-CZ 4.29Å |
| 971 | V | 86.1 | Confident | 79.9 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.8 | -42.5 | 179.3 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | L967 P968 A973 S974 A975 I1001 L1026 E1029 V1030 | L967-V971 VanDerWaalsContact O-CG2 3.32Å; L967-V971 WeakPolarHBondContact O-CG2 3.09Å; L967-V971 PolarHBondContact O-N 3.2Å; P968-V971 PolarHBondContact O-N 2.95Å; V971-A973 PolarHBondContact O-N 3.13Å; V971-S974 PolarHBondContact O-N 3.39Å; V971-A975 WeakPolarHBondContact O-CB 3.35Å; V971-A975 PolarHBondContact O-N 3.35Å; V971-I1001 HydrophobicContact CG2-CD1 4.15Å; V971-L1026 HydrophobicContact CB-CD1 4.15Å; V971-L1026 HydrophobicContact CG1-CD1 4.45Å; V971-L1026 HydrophobicContact CG2-CD1 4Å; V971-E1029 HydrophobicContact CG1-CB 3.89Å; V971-E1029 HydrophobicContact CG1-CG 3.62Å; V971-V1030 HydrophobicContact CG1-CG2 3.93Å; V971-V1030 HydrophobicContact CG2-CG2 3.72Å |
| 972 | A | 86.2 | Confident | 80 | Confident | 56 Ų | 56 | 26.2 Ų | 26.2 | 46% | 0.463 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -63.8 | -40.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P968 R976 | P968-A972 WeakPolarHBondContact O-CB 3.48Å; P968-A972 PolarHBondContact O-N 3.3Å; A972-R976 WeakPolarHBondContact O-CB 3.46Å; A972-R976 PolarHBondContact O-N 3.46Å |
| 973 | A | 88.5 | Confident | 79.5 | Confident | 3 Ų | 3 | 29.5 Ų | 29.5 | 3% | 0.025 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.6 | -44.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L936 I944 D969 L970 V971 R976 I977 | L936-A973 HydrophobicContact CB-CB 4.21Å; L936-A973 HydrophobicContact CD2-CB 3.67Å; I944-A973 HydrophobicContact CG2-CB 3.85Å; D969-A973 WeakPolarHBondContact O-CB 3.46Å; D969-A973 PolarHBondContact O-N 2.63Å; L970-A973 PolarHBondContact O-N 3.17Å; V971-A973 PolarHBondContact O-N 3.13Å; A973-R976 WeakPolarHBondContact O-CB 3.32Å; A973-R976 PolarHBondContact O-N 3.26Å; A973-I977 WeakPolarHBondContact O-CG1 3.29Å; A973-I977 PolarHBondContact O-N 3.19Å |
| 974 | S | 88.1 | Confident | 78.6 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.5 | -48.9 | 174.1 | -64.4 | 0 | 0 | 0 | 0 | 111.4 | L970 V971 R976 I977 M978 V998 | L970-S974 WeakPolarHBondContact O-CB 3.31Å; L970-S974 PolarHBondContact O-N 3.13Å; L970-S974 PolarHBondContact O-OG 3.48Å; L970-S974 VanDerWaalsContact O-OG 3.07Å; V971-S974 PolarHBondContact O-N 3.39Å; S974-R976 PolarHBondContact O-N 2.82Å; S974-I977 PolarHBondContact O-N 3.4Å; S974-M978 WeakPolarHBondContact O-CB 3.35Å; S974-M978 VanDerWaalsContact O-CG 3.27Å; S974-M978 WeakPolarHBondContact O-CG 3.33Å; S974-M978 PolarHBondContact O-N 3.44Å; S974-V998 VanDerWaalsContact CB-CG2 3.47Å |
| 975 | A | 86.5 | Confident | 77.5 | Confident | 4 Ų | 4 | 38.6 Ų | 38.6 | 3% | 0.033 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.8 | -35.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V971 K979 C1033 | V971-A975 WeakPolarHBondContact O-CB 3.35Å; V971-A975 PolarHBondContact O-N 3.35Å; A975-K979 WeakPolarHBondContact O-CG 3.43Å; A975-K979 PolarHBondContact O-N 2.94Å; A975-K979 VanDerWaalsContact O-N 3.12Å; A975-C1033 HydrophobicContact CB-CB 4.41Å |
| 976 | R | 86.3 | Confident | 76.2 | Confident | 76 Ų | 76 | 37.7 Ų | 37.7 | 29% | 0.287 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -66.6 | -47.6 | 175.3 | -167.8 | 177.7 | 93.1 | 179.5 | 26.1 | 112.2 | G938 N941 A972 A973 S974 M978 K979 T980 | G938-R976 VanDerWaalsContact O-CZ 3.24Å; G938-R976 PolarHBondContact O-NH1 3.48Å; G938-R976 PolarHBondContact O-NH2 3.2Å; N941-R976 PolarHBondContact OD1-NE 3.44Å; N941-R976 PolarHBondContact OD1-NH2 2.77Å; A972-R976 WeakPolarHBondContact O-CB 3.46Å; A972-R976 PolarHBondContact O-N 3.46Å; A973-R976 WeakPolarHBondContact O-CB 3.32Å; A973-R976 PolarHBondContact O-N 3.26Å; S974-R976 PolarHBondContact O-N 2.82Å; R976-M978 VanDerWaalsContact C-N 3.33Å; R976-M978 PolarHBondContact O-N 3.33Å; R976-K979 PolarHBondContact O-N 3.26Å; R976-T980 PolarHBondContact O-N 3.12Å; R976-T980 VanDerWaalsContact O-N 3.1Å; R976-T980 PolarHBondContact O-OG1 3.47Å |
| 977 | I | 84.3 | Confident | 74.9 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.6 | -40.3 | 179.1 | -67.2 | -61.9 | 0 | 0 | 0 | 111 | N941 I944 N945 L948 A973 S974 K979 T980 A981 V989 V994 | N941-I977 HydrophobicContact CB-CD1 3.96Å; I944-I977 HydrophobicContact CB-CD1 4.19Å; I944-I977 HydrophobicContact CB-CG1 4.48Å; I944-I977 HydrophobicContact CG2-CD1 3.96Å; I944-I977 HydrophobicContact CG2-CG1 3.71Å; N945-I977 HydrophobicContact CB-CD1 4.42Å; L948-I977 HydrophobicContact CD1-CG1 4.05Å; A973-I977 WeakPolarHBondContact O-CG1 3.29Å; A973-I977 PolarHBondContact O-N 3.19Å; S974-I977 PolarHBondContact O-N 3.4Å; I977-K979 PolarHBondContact O-N 3.01Å; I977-T980 WeakPolarHBondContact CA-OG1 3.36Å; I977-T980 PolarHBondContact O-N 3.24Å; I977-T980 PolarHBondContact O-OG1 3.14Å; I977-A981 PolarHBondContact O-N 3.32Å; I977-V989 HydrophobicContact CG2-CG1 3.39Å; I977-V994 HydrophobicContact CG2-CG2 4.08Å |
| 978 | M | 79.8 | Confident | 73.6 | Confident | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.015 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.8 | -42 | 175.6 | -70.2 | -58.4 | -56.1 | 0 | 0 | 112.3 | S974 R976 T980 A981 T982 K991 V994 V995 S1037 | S974-M978 WeakPolarHBondContact O-CB 3.35Å; S974-M978 VanDerWaalsContact O-CG 3.27Å; S974-M978 WeakPolarHBondContact O-CG 3.33Å; S974-M978 PolarHBondContact O-N 3.44Å; R976-M978 VanDerWaalsContact C-N 3.33Å; R976-M978 PolarHBondContact O-N 3.33Å; M978-T980 VanDerWaalsContact C-N 3.34Å; M978-T980 PolarHBondContact O-N 3.49Å; M978-A981 PolarHBondContact O-N 3.26Å; M978-T982 PolarHBondContact O-N 2.65Å; M978-T982 PolarHBondContact O-OG1 3.23Å; M978-K991 HydrophobicContact CE-CD 4.32Å; M978-K991 HydrophobicContact CE-CG 3.81Å; M978-K991 HydrophobicContact SD-CG 4.04Å; M978-V994 HydrophobicContact CG-CG1 3.94Å; M978-V994 HydrophobicContact SD-CB 4.2Å; M978-V994 HydrophobicContact SD-CG1 3.91Å; M978-V995 HydrophobicContact CE-CG2 3.94Å; M978-V995 HydrophobicContact SD-CG2 3.97Å; M978-S1037 VanDerWaalsContact CE-CA 3.49Å |
| 979 | K | 78.9 | Confident | 72.6 | Confident | 107 Ų | 107 | 50.9 Ų | 50.9 | 47% | 0.465 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.7 | -33.7 | 175.4 | -75.2 | 172.5 | -177.2 | 173.2 | 0 | 113.3 | A975 R976 I977 T982 V983 | A975-K979 WeakPolarHBondContact O-CG 3.43Å; A975-K979 PolarHBondContact O-N 2.94Å; A975-K979 VanDerWaalsContact O-N 3.12Å; R976-K979 PolarHBondContact O-N 3.26Å; I977-K979 PolarHBondContact O-N 3.01Å; K979-T982 PolarHBondContact O-OG1 3.24Å; K979-V983 VanDerWaalsContact O-CG2 3.29Å; K979-V983 WeakPolarHBondContact O-CG2 3.4Å; K979-V983 PolarHBondContact O-N 3.01Å |
| 980 | T | 76.4 | Confident | 72 | Confident | 27 Ų | 27 | 52.8 Ų | 52.8 | 17% | 0.166 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -73 | -34.9 | 175.6 | 50.2 | 0 | 0 | 0 | 0 | 112 | R976 I977 M978 T982 V983 D984 | R976-T980 PolarHBondContact O-N 3.12Å; R976-T980 VanDerWaalsContact O-N 3.1Å; R976-T980 PolarHBondContact O-OG1 3.47Å; I977-T980 WeakPolarHBondContact CA-OG1 3.36Å; I977-T980 PolarHBondContact O-N 3.24Å; I977-T980 PolarHBondContact O-OG1 3.14Å; M978-T980 VanDerWaalsContact C-N 3.34Å; M978-T980 PolarHBondContact O-N 3.49Å; T980-T982 VanDerWaalsContact C-N 3.3Å; T980-T982 PolarHBondContact O-N 3.16Å; T980-V983 PolarHBondContact O-N 2.74Å; T980-D984 PolarHBondContact O-N 3.3Å; T980-D984 VanDerWaalsContact O-N 3.12Å |
| 981 | A | 68.3 | Low | 71.6 | Confident | 21 Ų | 21 | 53.9 Ų | 53.9 | 17% | 0.174 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.5 | -38.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I977 M978 V989 | I977-A981 PolarHBondContact O-N 3.32Å; M978-A981 PolarHBondContact O-N 3.26Å; A981-V989 HydrophobicContact CB-CB 4.22Å; A981-V989 HydrophobicContact CB-CG1 4Å |
| 982 | T | 61.6 | Low | 71.3 | Confident | 68 Ų | 68 | 55 Ų | 55 | 42% | 0.417 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -77.2 | -29.3 | -179.1 | 53.6 | 0 | 0 | 0 | 0 | 114 | M978 K979 T980 | M978-T982 PolarHBondContact O-N 2.65Å; M978-T982 PolarHBondContact O-OG1 3.23Å; K979-T982 PolarHBondContact O-OG1 3.24Å; T980-T982 VanDerWaalsContact C-N 3.3Å; T980-T982 PolarHBondContact O-N 3.16Å |
| 983 | V | 56.4 | Low | 71.2 | Confident | 111 Ų | 111 | 54.8 Ų | 54.8 | 67% | 0.673 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -90.2 | -40.5 | -174.8 | 177.9 | 0 | 0 | 0 | 0 | 112.5 | K979 T980 | K979-V983 VanDerWaalsContact O-CG2 3.29Å; K979-V983 WeakPolarHBondContact O-CG2 3.4Å; K979-V983 PolarHBondContact O-N 3.01Å; T980-V983 PolarHBondContact O-N 2.74Å |
| 984 | D | 53.6 | Low | 71 | Confident | 105 Ų | 105 | 54.6 Ų | 54.6 | 56% | 0.561 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -106.1 | 1.2 | -163.5 | -67.4 | -35.3 | 0 | 0 | 0 | 114.5 | T980 V986 | T980-D984 PolarHBondContact O-N 3.3Å; T980-D984 VanDerWaalsContact O-N 3.12Å; D984-V986 HydrophobicContact CB-CG2 3.51Å; D984-V986 PolarHBondContact O-N 3.19Å; D984-V986 VanDerWaalsContact O-N 3.11Å |
| 985 | C | 49.2 | Very low | 70.9 | Confident | 112 Ų | 112 | 54.8 Ų | 54.8 | 76% | 0.757 | 31% | 0.31 | S | S | * | . | trans | 41.5 | 47.2 | -175.6 | -76.2 | 0 | 0 | 0 | 0 | 112.6 | D987 | C985-D987 PolarHBondContact O-N 2.86Š| ||
| 986 | V | 48.9 | Very low | 70.9 | Confident | 68 Ų | 68 | 56.2 Ų | 56.2 | 41% | 0.412 | 32% | 0.316 | S | S | . | . | trans | -88 | 106.8 | -178.2 | -171.3 | 0 | 0 | 0 | 0 | 108.8 | D984 S988 V989 | D984-V986 HydrophobicContact CB-CG2 3.51Å; D984-V986 PolarHBondContact O-N 3.19Å; D984-V986 VanDerWaalsContact O-N 3.11Å; V986-S988 VanDerWaalsContact CG1-OG 3.24Å; V986-S988 WeakPolarHBondContact CG1-OG 3.31Å; V986-S988 PolarHBondContact O-N 2.94Å; V986-V989 PolarHBondContact O-N 2.85Å | ||
| 987 | D | 53.9 | Low | 70.9 | Confident | 172 Ų | 172 | 52.6 Ų | 52.6 | 92% | 0.92 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -13.8 | 178.6 | -64 | -32.3 | 0 | 0 | 0 | 114.7 | C985 | C985-D987 PolarHBondContact O-N 2.86Š|
| 988 | S | 55.8 | Low | 71.1 | Confident | 83 Ų | 83 | 52.6 Ų | 52.6 | 58% | 0.58 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -8.7 | -177 | 77.1 | 0 | 0 | 0 | 0 | 115.7 | N945 V986 | N945-S988 PolarHBondContact ND2-O 3.14Å; V986-S988 VanDerWaalsContact CG1-OG 3.24Å; V986-S988 WeakPolarHBondContact CG1-OG 3.31Å; V986-S988 PolarHBondContact O-N 2.94Å |
| 989 | V | 63.4 | Low | 71.6 | Confident | 30 Ų | 30 | 52.5 Ų | 52.5 | 18% | 0.182 | 30% | 0.302 | C | S | . | . | trans | -89.9 | 117.2 | -175.4 | -176.7 | 0 | 0 | 0 | 0 | 110.3 | I977 A981 V986 K991 | I977-V989 HydrophobicContact CG2-CG1 3.39Å; A981-V989 HydrophobicContact CB-CB 4.22Å; A981-V989 HydrophobicContact CB-CG1 4Å; V986-V989 PolarHBondContact O-N 2.85Å; V989-K991 PolarHBondContact O-N 3.4Å | ||
| 990 | D | 73.2 | Confident | 72 | Confident | 60 Ų | 60 | 47.4 Ų | 47.4 | 32% | 0.321 | 28% | 0.28 | S | S | . | . | trans | -81.4 | 74.4 | 178.1 | -167.3 | -27.5 | 0 | 0 | 0 | 109.8 | V949 V992 N993 V994 | V949-D990 HydrophobicContact CG2-CB 4.11Å; D990-V992 PolarHBondContact O-N 2.86Å; D990-N993 HydrophobicContact CB-CB 4.38Å; D990-N993 VanDerWaalsContact CG-ND2 3.25Å; D990-N993 PolarHBondContact O-N 3.35Å; D990-N993 WeakPolarHBondContact OD1-CB 3.13Å; D990-N993 PolarHBondContact OD1-N 2.8Å; D990-N993 VanDerWaalsContact OD1-N 3.11Å; D990-N993 PolarHBondContact OD1-ND2 3.14Å; D990-N993 PolarHBondContact OD2-ND2 2.88Å; D990-V994 PolarHBondContact O-N 3.12Å | ||
| 991 | K | 77.3 | Confident | 72.4 | Confident | 24 Ų | 24 | 46.2 Ų | 46.2 | 10% | 0.104 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -55.9 | -41.1 | -176.6 | -179.5 | 179.9 | 163 | -166.2 | 0 | 111.6 | M978 V989 N993 V994 V995 H1039 D1048 | M978-K991 HydrophobicContact CE-CD 4.32Å; M978-K991 HydrophobicContact CE-CG 3.81Å; M978-K991 HydrophobicContact SD-CG 4.04Å; V989-K991 PolarHBondContact O-N 3.4Å; K991-N993 PolarHBondContact O-N 3.34Å; K991-V994 PolarHBondContact O-N 3.12Å; K991-V995 HydrophobicContact CG-CG2 4.48Å; K991-V995 WeakPolarHBondContact O-CG2 3.48Å; K991-V995 PolarHBondContact O-N 3.4Å; K991-H1039 WeakPolarHBondContact CE-CE1 3.45Å; K991-H1039 PolarHBondContact NZ-CD2 3.28Å; K991-H1039 PolarHBondContact NZ-CE1 2.92Å; K991-H1039 PolarHBondContact NZ-ND1 3Å; K991-H1039 VanDerWaalsContact NZ-ND1 3.1Å; K991-H1039 PolarHBondContact NZ-NE2 3.46Å; K991-D1048 IonicContact NZ-OD1 3.18Å; K991-D1048 PolarHBondContact NZ-OD1 2.89Å |
| 992 | V | 81.8 | Confident | 73.1 | Confident | 24 Ų | 24 | 45.2 Ų | 45.2 | 15% | 0.145 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.2 | -49.7 | 179.4 | 177.8 | 0 | 0 | 0 | 0 | 110.6 | D990 V994 V995 H996 D1047 L1050 L1054 | D990-V992 PolarHBondContact O-N 2.86Å; V992-V994 PolarHBondContact O-N 3.26Å; V992-V995 PolarHBondContact O-N 3.27Å; V992-H996 VanDerWaalsContact O-CB 3.27Å; V992-H996 WeakPolarHBondContact O-CB 3.33Å; V992-H996 PolarHBondContact O-N 3.49Å; V992-D1047 HydrophobicContact CG2-CB 4.13Å; V992-D1047 WeakPolarHBondContact CG2-O 3.14Å; V992-L1050 HydrophobicContact CG1-CD2 3.76Å; V992-L1050 HydrophobicContact CG1-CG 4.1Å; V992-L1054 HydrophobicContact CG1-CD1 4.09Å |
| 993 | N | 82.2 | Confident | 74.1 | Confident | 51 Ų | 51 | 42 Ų | 42 | 27% | 0.273 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67.4 | -34.5 | -179.1 | -83.2 | -35.1 | 0 | 0 | 0 | 113.4 | V949 D990 K991 F997 | V949-N993 HydrophobicContact CG2-CB 3.91Å; D990-N993 HydrophobicContact CB-CB 4.38Å; D990-N993 VanDerWaalsContact CG-ND2 3.25Å; D990-N993 PolarHBondContact O-N 3.35Å; D990-N993 WeakPolarHBondContact OD1-CB 3.13Å; D990-N993 PolarHBondContact OD1-N 2.8Å; D990-N993 VanDerWaalsContact OD1-N 3.11Å; D990-N993 PolarHBondContact OD1-ND2 3.14Å; D990-N993 PolarHBondContact OD2-ND2 2.88Å; K991-N993 PolarHBondContact O-N 3.34Å; N993-F997 VanDerWaalsContact O-CB 3.31Å; N993-F997 WeakPolarHBondContact O-CB 3.46Å; N993-F997 PolarHBondContact O-N 3.34Å |
| 994 | V | 84.3 | Confident | 75.1 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.6 | -45.7 | 175.3 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | L948 I977 M978 D990 K991 V992 F997 V998 | L948-V994 HydrophobicContact CD1-CG2 4.3Å; I977-V994 HydrophobicContact CG2-CG2 4.08Å; M978-V994 HydrophobicContact CG-CG1 3.94Å; M978-V994 HydrophobicContact SD-CB 4.2Å; M978-V994 HydrophobicContact SD-CG1 3.91Å; D990-V994 PolarHBondContact O-N 3.12Å; K991-V994 PolarHBondContact O-N 3.12Å; V992-V994 PolarHBondContact O-N 3.26Å; V994-F997 PolarHBondContact O-N 3.03Å; V994-V998 WeakPolarHBondContact O-CG2 3.45Å; V994-V998 PolarHBondContact O-N 3.05Å |
| 995 | V | 86.9 | Confident | 76 | Confident | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.024 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.4 | -45.6 | 177.1 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | M978 K991 V992 F997 V998 S999 S1051 L1054 A1055 | M978-V995 HydrophobicContact CE-CG2 3.94Å; M978-V995 HydrophobicContact SD-CG2 3.97Å; K991-V995 HydrophobicContact CG-CG2 4.48Å; K991-V995 WeakPolarHBondContact O-CG2 3.48Å; K991-V995 PolarHBondContact O-N 3.4Å; V992-V995 PolarHBondContact O-N 3.27Å; V995-F997 VanDerWaalsContact C-N 3.29Å; V995-F997 PolarHBondContact O-N 3Å; V995-V998 PolarHBondContact O-N 3.27Å; V995-S999 WeakPolarHBondContact O-CB 3.24Å; V995-S999 PolarHBondContact O-N 3.07Å; V995-S999 PolarHBondContact O-OG 3.12Å; V995-S1051 WeakPolarHBondContact CG1-O 3.11Å; V995-L1054 HydrophobicContact CG1-CB 4.06Å; V995-A1055 HydrophobicContact CG1-CB 3.88Å |
| 996 | H | 87.3 | Confident | 77.1 | Confident | 34 Ų | 34 | 27.7 Ų | 27.7 | 16% | 0.157 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -53.9 | -48.4 | 175.3 | -175.4 | -88.5 | 0 | 0 | 0 | 111.1 | V992 S999 S1000 L1054 N1605 | V992-H996 VanDerWaalsContact O-CB 3.27Å; V992-H996 WeakPolarHBondContact O-CB 3.33Å; V992-H996 PolarHBondContact O-N 3.49Å; H996-S999 PolarHBondContact O-N 3.32Å; H996-S1000 WeakPolarHBondContact O-CB 3.48Å; H996-S1000 PolarHBondContact O-N 3.49Å; H996-S1000 PolarHBondContact O-OG 3.41Å; H996-S1000 VanDerWaalsContact O-OG 3.12Å; H996-L1054 HydrophobicContact CB-CD1 4.07Å; H996-N1605 PolarHBondContact CE1-O 2.94Å; H996-N1605 PolarHBondContact NE2-O 2.97Å |
| 997 | F | 86.4 | Confident | 77.9 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.6 | -49.6 | 177.7 | 175.2 | -113.6 | 0 | 0 | 0 | 112.8 | L948 L955 V956 L970 N993 V994 V995 S999 S1000 I1001 | L948-F997 HydrophobicContact CD2-CD1 4.3Å; L948-F997 HydrophobicContact CD2-CE1 4.06Å; L955-F997 HydrophobicContact CD2-CE2 4Å; L955-F997 HydrophobicContact CD2-CZ 4.43Å; V956-F997 HydrophobicContact CG2-CD2 4.39Å; L970-F997 HydrophobicContact CB-CE1 4.14Å; L970-F997 HydrophobicContact CB-CZ 4.35Å; L970-F997 HydrophobicContact CD1-CZ 4.02Å; L970-F997 HydrophobicContact CD2-CE1 3.96Å; L970-F997 HydrophobicContact CD2-CZ 3.84Å; L970-F997 HydrophobicContact CG-CE1 4.47Å; L970-F997 HydrophobicContact CG-CZ 4.29Å; N993-F997 VanDerWaalsContact O-CB 3.31Å; N993-F997 WeakPolarHBondContact O-CB 3.46Å; N993-F997 PolarHBondContact O-N 3.34Å; V994-F997 PolarHBondContact O-N 3.03Å; V995-F997 VanDerWaalsContact C-N 3.29Å; V995-F997 PolarHBondContact O-N 3Å; F997-S999 VanDerWaalsContact C-N 3.35Å; F997-S999 PolarHBondContact O-N 3.05Å; F997-S1000 PolarHBondContact O-N 3.47Å; F997-I1001 HydrophobicContact CD1-CD1 4.3Å; F997-I1001 HydrophobicContact CD2-CG2 4.27Å; F997-I1001 HydrophobicContact CE1-CD1 3.77Å; F997-I1001 HydrophobicContact CE2-CG2 3.87Å; F997-I1001 HydrophobicContact CZ-CD1 3.9Å; F997-I1001 HydrophobicContact CZ-CG2 4.22Å; F997-I1001 WeakPolarHBondContact O-CG1 3.35Å; F997-I1001 PolarHBondContact O-N 3.3Å; F997-I1001 VanDerWaalsContact O-N 3.12Å |
| 998 | V | 88.2 | Confident | 78.7 | Confident | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63 | -42.2 | 179.7 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | S974 V994 V995 I1001 V1002 V1030 C1033 L1034 | S974-V998 VanDerWaalsContact CB-CG2 3.47Å; V994-V998 WeakPolarHBondContact O-CG2 3.45Å; V994-V998 PolarHBondContact O-N 3.05Å; V995-V998 PolarHBondContact O-N 3.27Å; V998-I1001 WeakPolarHBondContact O-CG1 3.5Å; V998-I1001 PolarHBondContact O-N 3.22Å; V998-V1002 PolarHBondContact O-N 3.13Å; V998-V1030 HydrophobicContact CG1-CG1 4.25Å; V998-C1033 HydrophobicContact CG1-CB 4.28Å; V998-L1034 HydrophobicContact CB-CD2 4.31Å; V998-L1034 HydrophobicContact CG1-CD2 3.82Å; V998-L1034 HydrophobicContact CG1-CG 4.02Å |
| 999 | S | 89.1 | Confident | 79.3 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.007 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.9 | -41.9 | 175 | -69.8 | 0 | 0 | 0 | 0 | 111.7 | V995 H996 F997 I1001 V1002 L1034 L1054 F1604 | V995-S999 WeakPolarHBondContact O-CB 3.24Å; V995-S999 PolarHBondContact O-N 3.07Å; V995-S999 PolarHBondContact O-OG 3.12Å; H996-S999 PolarHBondContact O-N 3.32Å; F997-S999 VanDerWaalsContact C-N 3.35Å; F997-S999 PolarHBondContact O-N 3.05Å; S999-I1001 PolarHBondContact O-N 3Å; S999-V1002 WeakPolarHBondContact O-CB 3.4Å; S999-V1002 WeakPolarHBondContact O-CG1 3.27Å; S999-V1002 PolarHBondContact O-N 3.05Å; S999-L1034 WeakPolarHBondContact OG-CD2 3.3Å; S999-L1054 PolarHBondContact OG-O 2.77Å; S999-F1604 VanDerWaalsContact CB-CZ 3.43Å |
| 1000 | S | 87.6 | Confident | 79.8 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.6 | -38.7 | 178.3 | -71.8 | 0 | 0 | 0 | 0 | 112.9 | H996 F997 V1002 D1606 I1608 | H996-S1000 WeakPolarHBondContact O-CB 3.48Å; H996-S1000 PolarHBondContact O-N 3.49Å; H996-S1000 PolarHBondContact O-OG 3.41Å; H996-S1000 VanDerWaalsContact O-OG 3.12Å; F997-S1000 PolarHBondContact O-N 3.47Å; S1000-V1002 VanDerWaalsContact C-N 3.34Å; S1000-D1606 WeakPolarHBondContact CB-O 2.97Å; S1000-D1606 PolarHBondContact OG-O 3.47Å; S1000-I1608 VanDerWaalsContact O-CB 3.23Å; S1000-I1608 WeakPolarHBondContact O-CB 3.26Å; S1000-I1608 WeakPolarHBondContact O-CG1 3.29Å; S1000-I1608 PolarHBondContact O-N 2.77Å |
| 1001 | I | 84.9 | Confident | 80 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 2.5 | -176.7 | 67.4 | 178 | 0 | 0 | 0 | 113.9 | L955 V956 L967 V971 F997 V998 S999 L1003 L1004 | L955-I1001 HydrophobicContact CD2-CG2 4.03Å; V956-I1001 HydrophobicContact CG2-CG2 4.48Å; L967-I1001 HydrophobicContact CD1-CB 4.36Å; L967-I1001 HydrophobicContact CD1-CD1 3.81Å; L967-I1001 HydrophobicContact CD1-CG1 4.42Å; V971-I1001 HydrophobicContact CG2-CD1 4.15Å; F997-I1001 HydrophobicContact CD1-CD1 4.3Å; F997-I1001 HydrophobicContact CD2-CG2 4.27Å; F997-I1001 HydrophobicContact CE1-CD1 3.77Å; F997-I1001 HydrophobicContact CE2-CG2 3.87Å; F997-I1001 HydrophobicContact CZ-CD1 3.9Å; F997-I1001 HydrophobicContact CZ-CG2 4.22Å; F997-I1001 WeakPolarHBondContact O-CG1 3.35Å; F997-I1001 PolarHBondContact O-N 3.3Å; F997-I1001 VanDerWaalsContact O-N 3.12Å; V998-I1001 WeakPolarHBondContact O-CG1 3.5Å; V998-I1001 PolarHBondContact O-N 3.22Å; S999-I1001 PolarHBondContact O-N 3Å; I1001-L1003 PolarHBondContact O-N 3.43Å; I1001-L1004 HydrophobicContact CB-CD1 3.88Å; I1001-L1004 HydrophobicContact CB-CG 4.26Å; I1001-L1004 HydrophobicContact CG2-CD1 3.96Å; I1001-L1004 WeakPolarHBondContact O-CB 3.36Å; I1001-L1004 PolarHBondContact O-N 3.34Å |
| 1002 | V | 83.8 | Confident | 79.6 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -33.9 | -170.9 | 83.4 | 0 | 0 | 0 | 0 | 112.9 | V998 S999 S1000 V1030 L1034 V1061 L1062 | V998-V1002 PolarHBondContact O-N 3.13Å; S999-V1002 WeakPolarHBondContact O-CB 3.4Å; S999-V1002 WeakPolarHBondContact O-CG1 3.27Å; S999-V1002 PolarHBondContact O-N 3.05Å; S1000-V1002 VanDerWaalsContact C-N 3.34Å; V1002-V1030 HydrophobicContact CB-CG1 4.26Å; V1002-V1030 HydrophobicContact CG2-CG1 3.47Å; V1002-V1030 VanDerWaalsContact CG2-CG1 3.47Å; V1002-L1034 HydrophobicContact CG2-CD1 3.95Å; V1002-V1061 HydrophobicContact CG1-CB 4.25Å; V1002-V1061 HydrophobicContact CG1-CG1 3.88Å; V1002-L1062 HydrophobicContact CG1-CB 4.45Å; V1002-L1062 HydrophobicContact CG2-CB 3.73Å; V1002-L1062 HydrophobicContact CG2-CD1 4.22Å; V1002-L1062 HydrophobicContact CG2-CD2 4.03Å; V1002-L1062 HydrophobicContact CG2-CG 4.2Å |
| 1003 | L | 81.4 | Confident | 78.9 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 0.1 | -179.9 | -63.2 | -172.2 | 0 | 0 | 0 | 114.5 | I1001 P1006 H1007 V1061 V1609 V1613 | I1001-L1003 PolarHBondContact O-N 3.43Å; L1003-P1006 WeakPolarHBondContact O-CD 3.49Å; L1003-H1007 PolarHBondContact O-CD2 3.09Å; L1003-H1007 PolarHBondContact O-NE2 3.27Å; L1003-H1007 VanDerWaalsContact O-NE2 3.16Å; L1003-V1061 HydrophobicContact CD1-CG1 3.41Å; L1003-V1061 VanDerWaalsContact CD1-CG1 3.41Å; L1003-V1061 HydrophobicContact CD2-CG1 4.29Å; L1003-V1061 HydrophobicContact CG-CG1 3.72Å; L1003-V1609 HydrophobicContact CD1-CB 4.37Å; L1003-V1609 HydrophobicContact CD1-CG1 4.33Å; L1003-V1613 HydrophobicContact CD1-CG2 4.29Å |
| 1004 | L | 77.9 | Confident | 78.1 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -32 | 170.5 | -60.1 | -175.6 | 0 | 0 | 0 | 111.9 | L959 L964 L967 I1001 H1007 F1011 L1585 I1608 | L959-L1004 HydrophobicContact CD1-CD1 3.56Å; L959-L1004 HydrophobicContact CD1-CD2 3.7Å; L959-L1004 HydrophobicContact CD1-CG 4.3Å; L959-L1004 HydrophobicContact CD2-CD2 4.02Å; L964-L1004 HydrophobicContact CD2-CB 4.48Å; L967-L1004 HydrophobicContact CD1-CB 4.34Å; L967-L1004 HydrophobicContact CD1-CD1 4.22Å; L967-L1004 HydrophobicContact CD2-CB 3.75Å; I1001-L1004 HydrophobicContact CB-CD1 3.88Å; I1001-L1004 HydrophobicContact CB-CG 4.26Å; I1001-L1004 HydrophobicContact CG2-CD1 3.96Å; I1001-L1004 WeakPolarHBondContact O-CB 3.36Å; I1001-L1004 PolarHBondContact O-N 3.34Å; L1004-H1007 PolarHBondContact O-N 3.41Å; L1004-F1011 WeakPolarHBondContact O-CZ 3.47Å; L1004-L1585 HydrophobicContact CD2-CD1 3.52Å; L1004-I1608 HydrophobicContact CD1-CD1 4.44Å; L1004-I1608 HydrophobicContact CD2-CD1 4.44Å; L1004-I1608 HydrophobicContact CD2-CG2 4.25Å |
| 1005 | A | 73.3 | Confident | 77.1 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -66.2 | -40.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | H1007 F1011 S1023 L1026 Q1027 | A1005-H1007 VanDerWaalsContact C-N 3.26Å; A1005-H1007 PolarHBondContact O-N 3.3Å; A1005-F1011 WeakPolarHBondContact O-CE2 3.43Å; A1005-F1011 VanDerWaalsContact O-CZ 3.31Å; A1005-F1011 WeakPolarHBondContact O-CZ 3.46Å; A1005-S1023 PolarHBondContact O-OG 3Å; A1005-L1026 HydrophobicContact CB-CB 4.33Å; A1005-L1026 HydrophobicContact CB-CD2 3.75Å; A1005-L1026 HydrophobicContact CB-CG 3.79Å; A1005-Q1027 HydrophobicContact CB-CG 3.69Å |
| 1006 | P | 71 | Confident | 75.8 | Confident | 26 Ų | 26 | 34.4 Ų | 34.4 | 17% | 0.169 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -67.7 | -14.8 | 176.9 | -21.2 | 32.7 | 0 | 0 | 0 | 116.2 | L1003 Q1027 | L1003-P1006 WeakPolarHBondContact O-CD 3.49Å; P1006-Q1027 HydrophobicContact CG-CG 4.12Å |
| 1007 | H | 66.1 | Low | 74.4 | Confident | 68 Ų | 68 | 38 Ų | 38 | 32% | 0.315 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -80 | -30.6 | -167.1 | -79.6 | -44 | 0 | 0 | 0 | 115.9 | L1003 L1004 A1005 L1585 H1610 | L1003-H1007 PolarHBondContact O-CD2 3.09Å; L1003-H1007 PolarHBondContact O-NE2 3.27Å; L1003-H1007 VanDerWaalsContact O-NE2 3.16Å; L1004-H1007 PolarHBondContact O-N 3.41Å; A1005-H1007 VanDerWaalsContact C-N 3.26Å; A1005-H1007 PolarHBondContact O-N 3.3Å; H1007-L1585 WeakPolarHBondContact NE2-CD2 3.44Å; H1007-H1610 AromaticContact CE1-CD2 3.17Å; H1007-H1610 PolarHBondContact CE1-CD2 3.28Å; H1007-H1610 AromaticContact CE1-CG 3.45Å; H1007-H1610 VanDerWaalsContact CE1-CG 3.45Å; H1007-H1610 AromaticContact CE1-NE2 3.88Å; H1007-H1610 AromaticContact NE2-CD2 3.78Å; H1007-H1610 AromaticContact NE2-CG 3.94Å |
| 1008 | R | 69.9 | Low | 73.1 | Confident | 115 Ų | 115 | 46.3 Ų | 46.3 | 43% | 0.434 | 25% | 0.251 | S | S | . | . | trans | -115.1 | 142 | 175.3 | -69.7 | -158.1 | 179.7 | -174.6 | 4.3 | 110.3 | T1010 F1011 S1023 | R1008-T1010 PolarHBondContact O-N 3.04Å; R1008-F1011 HydrophobicContact CB-CE1 4.05Å; R1008-F1011 HydrophobicContact CB-CE2 4.2Å; R1008-F1011 HydrophobicContact CB-CZ 3.81Å; R1008-F1011 VanDerWaalsContact O-CE2 3.27Å; R1008-F1011 WeakPolarHBondContact O-CE2 3.37Å; R1008-S1023 WeakPolarHBondContact O-CB 3.49Å; R1008-S1023 PolarHBondContact O-OG 3.47Å | ||
| 1009 | P | 69.3 | Low | 72 | Confident | 102 Ų | 102 | 52.7 Ų | 52.7 | 66% | 0.662 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -62.1 | -29.5 | 178.3 | 25.6 | -33.6 | 0 | 0 | 0 | 111.8 | S1023 | P1009-S1023 WeakPolarHBondContact O-CB 3.38Å; P1009-S1023 PolarHBondContact O-N 2.88Å |
| 1010 | T | 75 | Confident | 71.3 | Confident | 60 Ų | 60 | 56 Ų | 56 | 37% | 0.368 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 138.6 | -170.9 | 48.5 | 0 | 0 | 0 | 0 | 110.8 | R1008 V1020 M1021 | R1008-T1010 PolarHBondContact O-N 3.04Å; T1010-V1020 HydrophobicContact CG2-CG1 3.58Å; T1010-M1021 CarbonylContact C-O 3.52Å; T1010-M1021 WeakPolarHBondContact CA-O 3.23Å |
| 1011 | F | 76.5 | Confident | 70.8 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 0% | 0.004 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 117.3 | 177.3 | -65.1 | -90.8 | 0 | 0 | 0 | 109.7 | L964 L967 P968 L1004 A1005 R1008 M1021 L1026 | L964-F1011 HydrophobicContact CD2-CE1 4.4Å; L967-F1011 HydrophobicContact CD2-CD1 4.1Å; L967-F1011 HydrophobicContact CD2-CE1 3.72Å; L967-F1011 HydrophobicContact CD2-CZ 4.23Å; P968-F1011 HydrophobicContact CG-CB 3.93Å; L1004-F1011 WeakPolarHBondContact O-CZ 3.47Å; A1005-F1011 WeakPolarHBondContact O-CE2 3.43Å; A1005-F1011 VanDerWaalsContact O-CZ 3.31Å; A1005-F1011 WeakPolarHBondContact O-CZ 3.46Å; R1008-F1011 HydrophobicContact CB-CE1 4.05Å; R1008-F1011 HydrophobicContact CB-CE2 4.2Å; R1008-F1011 HydrophobicContact CB-CZ 3.81Å; R1008-F1011 VanDerWaalsContact O-CE2 3.27Å; R1008-F1011 WeakPolarHBondContact O-CE2 3.37Å; F1011-M1021 PolarHBondContact N-O 3.38Å; F1011-M1021 PolarHBondContact O-N 3.41Å; F1011-L1026 HydrophobicContact CD1-CD2 4.27Å; F1011-L1026 HydrophobicContact CD2-CD2 3.6Å; F1011-L1026 HydrophobicContact CE1-CD2 4.37Å; F1011-L1026 HydrophobicContact CE2-CD2 3.73Å; F1011-L1026 HydrophobicContact CG-CD2 3.89Å; F1011-L1026 HydrophobicContact CZ-CD2 4.11Å |
| 1012 | P | 69.5 | Low | 70.7 | Confident | 39 Ų | 39 | 63 Ų | 63 | 25% | 0.253 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 139.2 | 172.7 | 27.2 | -32.6 | 0 | 0 | 0 | 110.3 | F965 | F965-P1012 HydrophobicContact CD1-CB 4.05Å; F965-P1012 HydrophobicContact CD1-CG 3.43Å; F965-P1012 VanDerWaalsContact CD1-CG 3.43Å; F965-P1012 HydrophobicContact CE1-CB 3.99Å; F965-P1012 HydrophobicContact CE1-CG 3.3Å; F965-P1012 HydrophobicContact CG-CG 4.47Å; F965-P1012 HydrophobicContact CZ-CG 4.28Å |
| 1013 | T | 67.1 | Low | 70.6 | Confident | 25 Ų | 25 | 63.4 Ų | 63.4 | 15% | 0.153 | 34% | 0.338 | C | S | . | . | trans | -89.4 | 145.2 | 172.9 | 60.2 | 0 | 0 | 0 | 0 | 110.6 | P968 Q1015 D1016 K1019 | P968-T1013 HydrophobicContact CB-CG2 4.25Å; P968-T1013 HydrophobicContact CG-CG2 4.35Å; T1013-Q1015 VanDerWaalsContact C-N 3.29Å; T1013-Q1015 PolarHBondContact O-N 3.22Å; T1013-D1016 PolarHBondContact OG1-O 2.95Å; T1013-K1019 PolarHBondContact N-O 3.03Å; T1013-K1019 PolarHBondContact OG1-O 2.97Å | ||
| 1014 | C | 65.7 | Low | 70.7 | Confident | 49 Ų | 49 | 67.4 Ų | 67.4 | 33% | 0.331 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -66.7 | -30.5 | -175.5 | -124.8 | 0 | 0 | 0 | 0 | 112.9 | S933 | S933-C1014 WeakPolarHBondContact OG-CB 3.27Š|
| 1015 | Q | 62.9 | Low | 71 | Confident | 137 Ų | 137 | 70.9 Ų | 70.9 | 64% | 0.64 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -82.3 | -26.8 | -174.2 | -64.4 | -170.3 | -12.6 | 0 | 0 | 114.2 | T937 T1013 | T937-Q1015 PolarHBondContact OG1-NE2 2.85Å; T1013-Q1015 VanDerWaalsContact C-N 3.29Å; T1013-Q1015 PolarHBondContact O-N 3.22Å |
| 1016 | D | 59.5 | Low | 71.5 | Confident | 62 Ų | 62 | 70.9 Ų | 70.9 | 33% | 0.332 | 38% | 0.38 | S | S | . | . | trans | -150.3 | 97.1 | -168.3 | -155.1 | -5.6 | 0 | 0 | 0 | 109.3 | T1013 Q1018 K1019 | T1013-D1016 PolarHBondContact OG1-O 2.95Å; D1016-Q1018 PolarHBondContact O-N 3.05Å; D1016-K1019 HydrophobicContact CB-CB 4.1Å; D1016-K1019 HydrophobicContact CB-CD 4.11Å; D1016-K1019 HydrophobicContact CB-CG 4.16Å; D1016-K1019 PolarHBondContact O-N 3.33Å; D1016-K1019 WeakPolarHBondContact OD2-CD 3.01Å; D1016-K1019 WeakPolarHBondContact OD2-CE 3.45Å; D1016-K1019 IonicContact OD2-NZ 3.52Å | ||
| 1017 | S | 57.2 | Low | 72.2 | Confident | 108 Ų | 108 | 70.1 Ų | 70.1 | 76% | 0.755 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -16.4 | -176 | 59.9 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1018 | Q | 58.4 | Low | 73.1 | Confident | 176 Ų | 176 | 70.4 Ų | 70.4 | 82% | 0.822 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -22.7 | 173.4 | -64.5 | -173.2 | -4.1 | 0 | 0 | 113.2 | D1016 V1020 | D1016-Q1018 PolarHBondContact O-N 3.05Å; Q1018-V1020 PolarHBondContact O-N 3.45Å |
| 1019 | K | 66.2 | Low | 73.9 | Confident | 135 Ų | 135 | 67.3 Ų | 67.3 | 59% | 0.587 | 37% | 0.367 | S | S | * | . | trans | -88.9 | 105.8 | 174.1 | -72.4 | -179.6 | -176.2 | 161.4 | 0 | 109.6 | T1013 D1016 | T1013-K1019 PolarHBondContact N-O 3.03Å; T1013-K1019 PolarHBondContact OG1-O 2.97Å; D1016-K1019 HydrophobicContact CB-CB 4.1Å; D1016-K1019 HydrophobicContact CB-CD 4.11Å; D1016-K1019 HydrophobicContact CB-CG 4.16Å; D1016-K1019 PolarHBondContact O-N 3.33Å; D1016-K1019 WeakPolarHBondContact OD2-CD 3.01Å; D1016-K1019 WeakPolarHBondContact OD2-CE 3.45Å; D1016-K1019 IonicContact OD2-NZ 3.52Å | ||
| 1020 | V | 73.7 | Confident | 74.8 | Confident | 71 Ų | 71 | 62.5 Ų | 62.5 | 43% | 0.43 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 127.2 | 176 | -176.6 | 0 | 0 | 0 | 0 | 107.7 | T1010 Q1018 | T1010-V1020 HydrophobicContact CG2-CG1 3.58Å; Q1018-V1020 PolarHBondContact O-N 3.45Å |
| 1021 | M | 78.2 | Confident | 75.5 | Confident | 57 Ų | 57 | 61.1 Ų | 61.1 | 28% | 0.281 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 125 | 175.7 | -170.6 | 176.2 | -70.6 | 0 | 0 | 109.4 | P968 T1010 F1011 V1025 L1026 | P968-M1021 HydrophobicContact CB-CE 3.81Å; P968-M1021 HydrophobicContact CB-SD 3.91Å; P968-M1021 HydrophobicContact CG-CB 4.49Å; P968-M1021 HydrophobicContact CG-SD 4.34Å; T1010-M1021 CarbonylContact C-O 3.52Å; T1010-M1021 WeakPolarHBondContact CA-O 3.23Å; F1011-M1021 PolarHBondContact N-O 3.38Å; F1011-M1021 PolarHBondContact O-N 3.41Å; M1021-V1025 HydrophobicContact CG-CB 4.22Å; M1021-V1025 HydrophobicContact CG-CG1 4.17Å; M1021-V1025 HydrophobicContact SD-CG1 4.48Å; M1021-L1026 HydrophobicContact CG-CB 4.49Å; M1021-L1026 HydrophobicContact SD-CB 4.06Å; M1021-L1026 HydrophobicContact SD-CD1 3.92Å |
| 1022 | D | 81.7 | Confident | 76 | Confident | 91 Ų | 91 | 65.4 Ų | 65.4 | 49% | 0.487 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 142.5 | 175.8 | -70.9 | -26.6 | 0 | 0 | 0 | 111 | N1024 V1025 L1026 | D1022-N1024 PolarHBondContact O-N 3.38Å; D1022-V1025 HydrophobicContact CB-CG2 4.08Å; D1022-V1025 WeakPolarHBondContact O-CB 3.47Å; D1022-V1025 PolarHBondContact O-N 3.33Å; D1022-L1026 PolarHBondContact O-N 2.96Å; D1022-L1026 VanDerWaalsContact O-N 3.07Å |
| 1023 | S | 82.8 | Confident | 76.9 | Confident | 8 Ų | 8 | 63.7 Ų | 63.7 | 6% | 0.056 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -50.3 | -41.8 | 176.7 | -175.8 | 0 | 0 | 0 | 0 | 113 | A1005 R1008 P1009 V1025 L1026 Q1027 | A1005-S1023 PolarHBondContact O-OG 3Å; R1008-S1023 WeakPolarHBondContact O-CB 3.49Å; R1008-S1023 PolarHBondContact O-OG 3.47Å; P1009-S1023 WeakPolarHBondContact O-CB 3.38Å; P1009-S1023 PolarHBondContact O-N 2.88Å; S1023-V1025 VanDerWaalsContact C-N 3.31Å; S1023-V1025 PolarHBondContact O-N 3.45Å; S1023-L1026 PolarHBondContact O-N 3.14Å; S1023-Q1027 WeakPolarHBondContact O-CB 3.35Å; S1023-Q1027 VanDerWaalsContact O-CG 3.29Å; S1023-Q1027 WeakPolarHBondContact O-CG 3.37Å; S1023-Q1027 PolarHBondContact O-N 2.96Å; S1023-Q1027 PolarHBondContact OG-NE2 3.43Å |
| 1024 | N | 83.4 | Confident | 78 | Confident | 83 Ų | 83 | 62.5 Ų | 62.5 | 44% | 0.444 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.8 | -36.9 | -178.7 | -62.6 | -10.4 | 0 | 0 | 0 | 111.4 | D1022 M1028 L1072 | D1022-N1024 PolarHBondContact O-N 3.38Å; N1024-M1028 WeakPolarHBondContact O-CB 3.01Å; N1024-M1028 VanDerWaalsContact O-CG 3.28Å; N1024-M1028 WeakPolarHBondContact O-CG 2.98Å; N1024-M1028 PolarHBondContact O-N 3.47Å; N1024-L1072 HydrophobicContact CB-CD1 4.34Å; N1024-L1072 HydrophobicContact CB-CD2 4.02Å |
| 1025 | V | 84.2 | Confident | 79 | Confident | 75 Ų | 75 | 62.3 Ų | 62.3 | 46% | 0.455 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.2 | -43.4 | 177.3 | 177.3 | 0 | 0 | 0 | 0 | 109.8 | M1021 D1022 S1023 M1028 E1029 | M1021-V1025 HydrophobicContact CG-CB 4.22Å; M1021-V1025 HydrophobicContact CG-CG1 4.17Å; M1021-V1025 HydrophobicContact SD-CG1 4.48Å; D1022-V1025 HydrophobicContact CB-CG2 4.08Å; D1022-V1025 WeakPolarHBondContact O-CB 3.47Å; D1022-V1025 PolarHBondContact O-N 3.33Å; S1023-V1025 VanDerWaalsContact C-N 3.31Å; S1023-V1025 PolarHBondContact O-N 3.45Å; V1025-M1028 WeakPolarHBondContact O-CB 3.2Å; V1025-M1028 PolarHBondContact O-N 3.46Å; V1025-E1029 PolarHBondContact O-N 2.9Å |
| 1026 | L | 84.2 | Confident | 79.9 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.2 | -43 | 177.1 | -175 | 63.5 | 0 | 0 | 0 | 112.1 | L967 V971 A1005 F1011 M1021 D1022 S1023 M1028 E1029 V1030 | L967-L1026 HydrophobicContact CD2-CD2 3.6Å; L967-L1026 HydrophobicContact CG-CD2 3.91Å; V971-L1026 HydrophobicContact CB-CD1 4.15Å; V971-L1026 HydrophobicContact CG1-CD1 4.45Å; V971-L1026 HydrophobicContact CG2-CD1 4Å; A1005-L1026 HydrophobicContact CB-CB 4.33Å; A1005-L1026 HydrophobicContact CB-CD2 3.75Å; A1005-L1026 HydrophobicContact CB-CG 3.79Å; F1011-L1026 HydrophobicContact CD1-CD2 4.27Å; F1011-L1026 HydrophobicContact CD2-CD2 3.6Å; F1011-L1026 HydrophobicContact CE1-CD2 4.37Å; F1011-L1026 HydrophobicContact CE2-CD2 3.73Å; F1011-L1026 HydrophobicContact CG-CD2 3.89Å; F1011-L1026 HydrophobicContact CZ-CD2 4.11Å; M1021-L1026 HydrophobicContact CG-CB 4.49Å; M1021-L1026 HydrophobicContact SD-CB 4.06Å; M1021-L1026 HydrophobicContact SD-CD1 3.92Å; D1022-L1026 PolarHBondContact O-N 2.96Å; D1022-L1026 VanDerWaalsContact O-N 3.07Å; S1023-L1026 PolarHBondContact O-N 3.14Å; L1026-M1028 VanDerWaalsContact C-N 3.32Å; L1026-M1028 PolarHBondContact O-N 2.97Å; L1026-E1029 PolarHBondContact O-N 3.41Å; L1026-E1029 VanDerWaalsContact O-N 3.15Å; L1026-V1030 WeakPolarHBondContact O-CG2 3.31Å; L1026-V1030 PolarHBondContact O-N 3.25Å |
| 1027 | Q | 85.2 | Confident | 80.9 | Confident | 9 Ų | 9 | 55.6 Ų | 55.6 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.4 | -39.6 | 174.7 | -73.3 | 175 | 54.3 | 0 | 0 | 112.2 | A1005 P1006 S1023 E1029 V1030 F1031 I1075 | A1005-Q1027 HydrophobicContact CB-CG 3.69Å; P1006-Q1027 HydrophobicContact CG-CG 4.12Å; S1023-Q1027 WeakPolarHBondContact O-CB 3.35Å; S1023-Q1027 VanDerWaalsContact O-CG 3.29Å; S1023-Q1027 WeakPolarHBondContact O-CG 3.37Å; S1023-Q1027 PolarHBondContact O-N 2.96Å; S1023-Q1027 PolarHBondContact OG-NE2 3.43Å; Q1027-E1029 VanDerWaalsContact C-N 3.33Å; Q1027-V1030 PolarHBondContact O-N 3.11Å; Q1027-F1031 WeakPolarHBondContact O-CB 3.43Å; Q1027-F1031 PolarHBondContact O-N 3.43Å; Q1027-I1075 HydrophobicContact CB-CD1 4.21Å |
| 1028 | M | 85.4 | Confident | 82 | Confident | 74 Ų | 74 | 51.3 Ų | 51.3 | 37% | 0.365 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.2 | -38.4 | 173.2 | -77.2 | -63.2 | -53.6 | 0 | 0 | 112.3 | N1024 V1025 L1026 R1032 I1075 | N1024-M1028 WeakPolarHBondContact O-CB 3.01Å; N1024-M1028 VanDerWaalsContact O-CG 3.28Å; N1024-M1028 WeakPolarHBondContact O-CG 2.98Å; N1024-M1028 PolarHBondContact O-N 3.47Å; V1025-M1028 WeakPolarHBondContact O-CB 3.2Å; V1025-M1028 PolarHBondContact O-N 3.46Å; L1026-M1028 VanDerWaalsContact C-N 3.32Å; L1026-M1028 PolarHBondContact O-N 2.97Å; M1028-R1032 WeakPolarHBondContact O-CB 3.4Å; M1028-R1032 PolarHBondContact O-N 3.13Å; M1028-I1075 HydrophobicContact CG-CD1 3.88Å; M1028-I1075 HydrophobicContact CG-CG1 4.45Å; M1028-I1075 HydrophobicContact SD-CD1 3.4Å; M1028-I1075 WeakPolarHBondContact SD-CD1 3.44Å; M1028-I1075 HydrophobicContact SD-CG1 3.33Å; M1028-I1075 WeakPolarHBondContact SD-CG1 3.28Å |
| 1029 | E | 85.7 | Confident | 82.4 | Confident | 50 Ų | 50 | 45.3 Ų | 45.3 | 23% | 0.234 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.1 | -42 | 177.7 | -160.5 | 64.8 | -133.7 | 0 | 0 | 111.7 | V971 V1025 L1026 Q1027 R1032 C1033 | V971-E1029 HydrophobicContact CG1-CB 3.89Å; V971-E1029 HydrophobicContact CG1-CG 3.62Å; V1025-E1029 PolarHBondContact O-N 2.9Å; L1026-E1029 PolarHBondContact O-N 3.41Å; L1026-E1029 VanDerWaalsContact O-N 3.15Å; Q1027-E1029 VanDerWaalsContact C-N 3.33Å; E1029-R1032 PolarHBondContact O-N 2.8Å; E1029-R1032 IonicContact OE1-NH1 3.11Å; E1029-R1032 PolarHBondContact OE1-NH1 3.31Å; E1029-R1032 IonicContact OE2-CZ 3.33Å; E1029-R1032 IonicContact OE2-NH1 3.87Å; E1029-R1032 PolarHBondContact OE2-NH1 3.15Å; E1029-C1033 WeakPolarHBondContact O-CB 3.44Å; E1029-C1033 PolarHBondContact O-N 3.2Å |
| 1030 | V | 88 | Confident | 82 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.012 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.6 | -48.1 | 174.3 | 171 | 0 | 0 | 0 | 0 | 110.6 | V971 V998 V1002 L1026 Q1027 R1032 C1033 L1034 | V971-V1030 HydrophobicContact CG1-CG2 3.93Å; V971-V1030 HydrophobicContact CG2-CG2 3.72Å; V998-V1030 HydrophobicContact CG1-CG1 4.25Å; V1002-V1030 HydrophobicContact CB-CG1 4.26Å; V1002-V1030 HydrophobicContact CG2-CG1 3.47Å; V1002-V1030 VanDerWaalsContact CG2-CG1 3.47Å; L1026-V1030 WeakPolarHBondContact O-CG2 3.31Å; L1026-V1030 PolarHBondContact O-N 3.25Å; Q1027-V1030 PolarHBondContact O-N 3.11Å; V1030-R1032 VanDerWaalsContact C-N 3.34Å; V1030-R1032 PolarHBondContact O-N 2.84Å; V1030-C1033 PolarHBondContact O-N 3.2Å; V1030-L1034 HydrophobicContact CG1-CD1 4.39Å; V1030-L1034 WeakPolarHBondContact O-CG 3.47Å; V1030-L1034 PolarHBondContact O-N 2.99Å |
| 1031 | F | 89.4 | Confident | 80.9 | Confident | 30 Ų | 30 | 47.5 Ų | 47.5 | 13% | 0.132 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -55.3 | -49.5 | 174.7 | 169.9 | -107.2 | 0 | 0 | 0 | 111.1 | Q1027 C1033 L1034 V1035 L1059 L1062 I1075 C1079 | Q1027-F1031 WeakPolarHBondContact O-CB 3.43Å; Q1027-F1031 PolarHBondContact O-N 3.43Å; F1031-C1033 PolarHBondContact O-N 2.81Å; F1031-L1034 PolarHBondContact O-N 3.32Å; F1031-V1035 HydrophobicContact CD2-CG2 4.14Å; F1031-V1035 HydrophobicContact CE1-CG2 4.1Å; F1031-V1035 HydrophobicContact CE2-CG2 3.65Å; F1031-V1035 HydrophobicContact CZ-CG2 3.64Å; F1031-V1035 WeakPolarHBondContact O-CG2 3.32Å; F1031-V1035 PolarHBondContact O-N 2.9Å; F1031-L1059 HydrophobicContact CD2-CD2 3.67Å; F1031-L1059 HydrophobicContact CE2-CD2 3.99Å; F1031-L1062 HydrophobicContact CB-CD2 4.36Å; F1031-I1075 HydrophobicContact CB-CG2 4.24Å; F1031-I1075 HydrophobicContact CD2-CG2 4.2Å; F1031-I1075 HydrophobicContact CG-CG2 4.13Å; F1031-C1079 VanDerWaalsContact CD2-SG 3.51Å; F1031-C1079 HydrophobicContact CE2-CB 4.43Å |
| 1032 | R | 88.5 | Confident | 79.6 | Confident | 91 Ų | 91 | 47.2 Ų | 47.2 | 34% | 0.343 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.4 | -42.2 | 178.4 | -168.5 | -176 | -52.9 | 99 | 4.3 | 112.3 | M1028 E1029 V1030 L1034 V1035 D1036 | M1028-R1032 WeakPolarHBondContact O-CB 3.4Å; M1028-R1032 PolarHBondContact O-N 3.13Å; E1029-R1032 PolarHBondContact O-N 2.8Å; E1029-R1032 IonicContact OE1-NH1 3.11Å; E1029-R1032 PolarHBondContact OE1-NH1 3.31Å; E1029-R1032 IonicContact OE2-CZ 3.33Å; E1029-R1032 IonicContact OE2-NH1 3.87Å; E1029-R1032 PolarHBondContact OE2-NH1 3.15Å; V1030-R1032 VanDerWaalsContact C-N 3.34Å; V1030-R1032 PolarHBondContact O-N 2.84Å; R1032-L1034 VanDerWaalsContact C-N 3.29Å; R1032-L1034 PolarHBondContact O-N 2.99Å; R1032-V1035 PolarHBondContact O-N 3.44Å; R1032-D1036 WeakPolarHBondContact O-CB 3.33Å; R1032-D1036 VanDerWaalsContact O-CG 3.24Å; R1032-D1036 PolarHBondContact O-N 3.07Å |
| 1033 | C | 88.1 | Confident | 78.3 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.02 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62 | -38 | 178.3 | -171.3 | 0 | 0 | 0 | 0 | 111.9 | A975 V998 E1029 V1030 F1031 S1037 | A975-C1033 HydrophobicContact CB-CB 4.41Å; V998-C1033 HydrophobicContact CG1-CB 4.28Å; E1029-C1033 WeakPolarHBondContact O-CB 3.44Å; E1029-C1033 PolarHBondContact O-N 3.2Å; V1030-C1033 PolarHBondContact O-N 3.2Å; F1031-C1033 PolarHBondContact O-N 2.81Å; C1033-S1037 PolarHBondContact O-N 3Å |
| 1034 | L | 89.1 | Confident | 77 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69 | -42.5 | 174 | -68.1 | 175.8 | 0 | 0 | 0 | 111.3 | V998 S999 V1002 V1030 F1031 R1032 S1037 L1038 L1059 | V998-L1034 HydrophobicContact CB-CD2 4.31Å; V998-L1034 HydrophobicContact CG1-CD2 3.82Å; V998-L1034 HydrophobicContact CG1-CG 4.02Å; S999-L1034 WeakPolarHBondContact OG-CD2 3.3Å; V1002-L1034 HydrophobicContact CG2-CD1 3.95Å; V1030-L1034 HydrophobicContact CG1-CD1 4.39Å; V1030-L1034 WeakPolarHBondContact O-CG 3.47Å; V1030-L1034 PolarHBondContact O-N 2.99Å; F1031-L1034 PolarHBondContact O-N 3.32Å; R1032-L1034 VanDerWaalsContact C-N 3.29Å; R1032-L1034 PolarHBondContact O-N 2.99Å; L1034-S1037 WeakPolarHBondContact O-CB 3.28Å; L1034-S1037 PolarHBondContact O-N 3.49Å; L1034-S1037 PolarHBondContact O-OG 3.15Å; L1034-L1038 WeakPolarHBondContact O-CG 3.5Å; L1034-L1059 HydrophobicContact CB-CD2 3.89Å; L1034-L1059 HydrophobicContact CB-CG 4.15Å; L1034-L1059 HydrophobicContact CD1-CD2 3.9Å; L1034-L1059 HydrophobicContact CD1-CG 4.18Å |
| 1035 | V | 87.6 | Confident | 76 | Confident | 46 Ų | 46 | 54 Ų | 54 | 28% | 0.279 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 176.3 | 174.9 | 0 | 0 | 0 | 0 | 111.8 | F1031 R1032 S1037 L1038 T1082 | F1031-V1035 HydrophobicContact CD2-CG2 4.14Å; F1031-V1035 HydrophobicContact CE1-CG2 4.1Å; F1031-V1035 HydrophobicContact CE2-CG2 3.65Å; F1031-V1035 HydrophobicContact CZ-CG2 3.64Å; F1031-V1035 WeakPolarHBondContact O-CG2 3.32Å; F1031-V1035 PolarHBondContact O-N 2.9Å; R1032-V1035 PolarHBondContact O-N 3.44Å; V1035-S1037 PolarHBondContact O-N 2.97Å; V1035-S1037 VanDerWaalsContact O-N 3.16Å; V1035-L1038 VanDerWaalsContact O-CB 3.27Å; V1035-L1038 WeakPolarHBondContact O-CB 3.4Å; V1035-L1038 PolarHBondContact O-N 2.93Å; V1035-T1082 HydrophobicContact CG2-CG2 4.32Å |
| 1036 | D | 81.9 | Confident | 75 | Confident | 58 Ų | 58 | 52.8 Ų | 52.8 | 31% | 0.31 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.1 | -19.7 | 177.2 | -71.5 | -7.1 | 0 | 0 | 0 | 112.1 | R1032 | R1032-D1036 WeakPolarHBondContact O-CB 3.33Å; R1032-D1036 VanDerWaalsContact O-CG 3.24Å; R1032-D1036 PolarHBondContact O-N 3.07Å |
| 1037 | S | 79.6 | Confident | 74 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -80.1 | -19.7 | 175.2 | 77.3 | 0 | 0 | 0 | 0 | 114 | M978 C1033 L1034 V1035 H1039 A1055 | M978-S1037 VanDerWaalsContact CE-CA 3.49Å; C1033-S1037 PolarHBondContact O-N 3Å; L1034-S1037 WeakPolarHBondContact O-CB 3.28Å; L1034-S1037 PolarHBondContact O-N 3.49Å; L1034-S1037 PolarHBondContact O-OG 3.15Å; V1035-S1037 PolarHBondContact O-N 2.97Å; V1035-S1037 VanDerWaalsContact O-N 3.16Å; S1037-H1039 PolarHBondContact O-N 2.93Å; S1037-H1039 PolarHBondContact O-ND1 3.45Å; S1037-A1055 VanDerWaalsContact OG-CB 3.24Å; S1037-A1055 WeakPolarHBondContact OG-CB 3.37Å |
| 1038 | L | 80.2 | Confident | 73.3 | Confident | 17 Ų | 17 | 58.8 Ų | 58.8 | 9% | 0.089 | 32% | 0.321 | C | S | . | . | trans | -78.4 | 118 | 179.5 | -67.3 | 175.7 | 0 | 0 | 0 | 109.1 | L1034 V1035 T1052 A1055 L1056 L1059 T1082 Y1086 | L1034-L1038 WeakPolarHBondContact O-CG 3.5Å; V1035-L1038 VanDerWaalsContact O-CB 3.27Å; V1035-L1038 WeakPolarHBondContact O-CB 3.4Å; V1035-L1038 PolarHBondContact O-N 2.93Å; L1038-T1052 HydrophobicContact CD2-CG2 3.82Å; L1038-A1055 HydrophobicContact CD2-CB 3.65Å; L1038-A1055 HydrophobicContact CG-CB 4.16Å; L1038-L1056 HydrophobicContact CD1-CD2 4.38Å; L1038-L1056 HydrophobicContact CD2-CD2 4.18Å; L1038-L1056 HydrophobicContact CD2-CG 4.13Å; L1038-L1059 HydrophobicContact CD1-CD1 3.96Å; L1038-T1082 HydrophobicContact CD1-CG2 3.29Å; L1038-Y1086 WeakPolarHBondContact CA-OH 3.3Å; L1038-Y1086 HydrophobicContact CB-CE2 3.65Å; L1038-Y1086 VanDerWaalsContact CB-OH 3.25Å; L1038-Y1086 WeakPolarHBondContact CB-OH 3.31Å; L1038-Y1086 HydrophobicContact CD1-CD2 4.22Å; L1038-Y1086 HydrophobicContact CD1-CE2 3.75Å; L1038-Y1086 HydrophobicContact CD2-CD2 4.45Å; L1038-Y1086 HydrophobicContact CD2-CE1 4.46Å; L1038-Y1086 HydrophobicContact CD2-CE2 3.92Å; L1038-Y1086 HydrophobicContact CG-CE2 3.98Å | ||
| 1039 | H | 66.6 | Low | 72.9 | Confident | 50 Ų | 50 | 60 Ų | 60 | 23% | 0.231 | 32% | 0.321 | C | S | . | . | trans | -95.9 | 138.9 | -178.3 | -72.1 | 39 | 0 | 0 | 0 | 111 | K991 S1037 Y1086 | K991-H1039 WeakPolarHBondContact CE-CE1 3.45Å; K991-H1039 PolarHBondContact NZ-CD2 3.28Å; K991-H1039 PolarHBondContact NZ-CE1 2.92Å; K991-H1039 PolarHBondContact NZ-ND1 3Å; K991-H1039 VanDerWaalsContact NZ-ND1 3.1Å; K991-H1039 PolarHBondContact NZ-NE2 3.46Å; S1037-H1039 PolarHBondContact O-N 2.93Å; S1037-H1039 PolarHBondContact O-ND1 3.45Å; H1039-Y1086 VanDerWaalsContact C-OH 3.3Å; H1039-Y1086 PolarHBondContact N-OH 3.22Å; H1039-Y1086 VanDerWaalsContact N-OH 3.12Å; H1039-Y1086 PolarHBondContact O-OH 3.02Å | ||
| 1040 | N | 57.7 | Low | 72.7 | Confident | 94 Ų | 94 | 60.8 Ų | 60.8 | 50% | 0.503 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -81.6 | -26.6 | 178.4 | -68.2 | -14.6 | 0 | 0 | 0 | 113 | Y1089 | N1040-Y1089 HydrophobicContact CB-CE1 4.28Å; N1040-Y1089 WeakPolarHBondContact CB-OH 3.48Å; N1040-Y1089 WeakPolarHBondContact O-CE1 3.5Å; N1040-Y1089 PolarHBondContact OD1-OH 2.87Å |
| 1041 | D | 50.5 | Low | 72.5 | Confident | 159 Ų | 159 | 60.7 Ų | 60.7 | 85% | 0.85 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -121.6 | -1.5 | -154.6 | -68.6 | -29.8 | 0 | 0 | 0 | 117.6 | ||
| 1042 | S | 51.9 | Low | 72.3 | Confident | 51 Ų | 51 | 59.6 Ų | 59.6 | 36% | 0.357 | 32% | 0.322 | S | S | . | . | trans | -137.9 | 73 | -173.5 | 55.6 | 0 | 0 | 0 | 0 | 115.1 | N1044 D1048 | S1042-N1044 PolarHBondContact O-N 3.12Å; S1042-D1048 PolarHBondContact OG-OD2 2.65Å | ||
| 1043 | V | 54.9 | Low | 72.2 | Confident | 60 Ų | 60 | 55.2 Ų | 55.2 | 36% | 0.364 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -8.5 | 175.9 | 176.6 | 0 | 0 | 0 | 0 | 113.6 | A1091 F1094 | V1043-A1091 HydrophobicContact CG1-CB 3.89Å; V1043-F1094 HydrophobicContact CG1-CE2 4.11Å; V1043-F1094 HydrophobicContact CG2-CE2 4.34Å |
| 1044 | N | 56 | Low | 72.3 | Confident | 168 Ų | 168 | 55.5 Ų | 55.5 | 90% | 0.898 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -13.9 | -168.9 | -70 | -12.8 | 0 | 0 | 0 | 115.3 | S1042 | S1042-N1044 PolarHBondContact O-N 3.12Š|
| 1045 | D | 61.7 | Low | 72.4 | Confident | 96 Ų | 96 | 55.5 Ų | 55.5 | 51% | 0.513 | 31% | 0.307 | S | S | . | . | trans | -93.7 | 135.1 | 178.5 | -161.2 | -3 | 0 | 0 | 0 | 111.4 | D1048 R1049 | D1045-D1048 HydrophobicContact CB-CB 4.18Å; D1045-D1048 PolarHBondContact O-N 3.43Å; D1045-R1049 PolarHBondContact O-N 3.06Å; D1045-R1049 VanDerWaalsContact O-N 3.13Å | ||
| 1046 | G | 62.2 | Low | 72.5 | Confident | 49 Ų | 49 | 53.3 Ų | 53.3 | 51% | 0.505 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.4 | -41.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R1049 L1050 | G1046-R1049 WeakPolarHBondContact O-CB 3.34Å; G1046-R1049 PolarHBondContact O-N 3.21Å; G1046-L1050 PolarHBondContact O-N 2.75Å; G1046-L1050 VanDerWaalsContact O-N 3.17Å |
| 1047 | D | 63.6 | Low | 73.1 | Confident | 108 Ų | 108 | 51 Ų | 51 | 58% | 0.578 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -70.6 | -36 | -179.6 | -72.2 | -12.2 | 0 | 0 | 0 | 111.8 | V992 R1049 L1050 S1051 | V992-D1047 HydrophobicContact CG2-CB 4.13Å; V992-D1047 WeakPolarHBondContact CG2-O 3.14Å; D1047-R1049 VanDerWaalsContact C-N 3.28Å; D1047-R1049 PolarHBondContact O-N 2.74Å; D1047-L1050 PolarHBondContact O-N 2.89Å; D1047-S1051 WeakPolarHBondContact O-CB 3.34Å; D1047-S1051 PolarHBondContact O-N 3.26Å; D1047-S1051 PolarHBondContact O-OG 2.92Å; D1047-S1051 VanDerWaalsContact O-OG 3.14Å |
| 1048 | D | 71.8 | Confident | 73.7 | Confident | 29 Ų | 29 | 51 Ų | 51 | 16% | 0.155 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.2 | -35.6 | 172.9 | -87.5 | -15.3 | 0 | 0 | 0 | 111.6 | K991 S1042 D1045 S1051 T1052 | K991-D1048 IonicContact NZ-OD1 3.18Å; K991-D1048 PolarHBondContact NZ-OD1 2.89Å; S1042-D1048 PolarHBondContact OG-OD2 2.65Å; D1045-D1048 HydrophobicContact CB-CB 4.18Å; D1045-D1048 PolarHBondContact O-N 3.43Å; D1048-S1051 WeakPolarHBondContact CA-OG 3.39Å; D1048-S1051 PolarHBondContact O-OG 3.3Å; D1048-T1052 VanDerWaalsContact O-CB 3.32Å; D1048-T1052 WeakPolarHBondContact O-CB 3.43Å; D1048-T1052 PolarHBondContact O-N 3.1Å; D1048-T1052 PolarHBondContact O-OG1 3.48Å |
| 1049 | R | 76.1 | Confident | 74.3 | Confident | 98 Ų | 98 | 50.1 Ų | 50.1 | 37% | 0.37 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.9 | -47.3 | 176.8 | -179.8 | 173 | 168.3 | -172.5 | -11.9 | 112.2 | D1045 G1046 D1047 T1052 A1053 S1093 F1094 | D1045-R1049 PolarHBondContact O-N 3.06Å; D1045-R1049 VanDerWaalsContact O-N 3.13Å; G1046-R1049 WeakPolarHBondContact O-CB 3.34Å; G1046-R1049 PolarHBondContact O-N 3.21Å; D1047-R1049 VanDerWaalsContact C-N 3.28Å; D1047-R1049 PolarHBondContact O-N 2.74Å; R1049-T1052 PolarHBondContact O-N 3.23Å; R1049-A1053 WeakPolarHBondContact O-CB 3.16Å; R1049-A1053 PolarHBondContact O-N 3.4Å; R1049-S1093 VanDerWaalsContact CZ-CB 3.48Å; R1049-F1094 HydrophobicContact CB-CZ 4.15Å; R1049-F1094 HydrophobicContact CG-CE1 4.03Å; R1049-F1094 HydrophobicContact CG-CE2 4.43Å; R1049-F1094 HydrophobicContact CG-CZ 3.72Å |
| 1050 | L | 81.7 | Confident | 75.5 | Confident | 67 Ų | 67 | 47.8 Ų | 47.8 | 35% | 0.351 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 178.5 | -179.3 | 60.9 | 0 | 0 | 0 | 111.7 | V992 G1046 D1047 T1052 A1053 L1054 E1599 | V992-L1050 HydrophobicContact CG1-CD2 3.76Å; V992-L1050 HydrophobicContact CG1-CG 4.1Å; G1046-L1050 PolarHBondContact O-N 2.75Å; G1046-L1050 VanDerWaalsContact O-N 3.17Å; D1047-L1050 PolarHBondContact O-N 2.89Å; L1050-T1052 PolarHBondContact O-N 2.66Å; L1050-A1053 PolarHBondContact O-N 3.38Å; L1050-L1054 HydrophobicContact CD1-CD1 4.34Å; L1050-L1054 HydrophobicContact CD1-CG 4.41Å; L1050-L1054 HydrophobicContact CG-CD1 4.15Å; L1050-L1054 WeakPolarHBondContact O-CB 3.4Å; L1050-L1054 WeakPolarHBondContact O-CG 3.35Å; L1050-L1054 PolarHBondContact O-N 2.91Å; L1050-E1599 WeakPolarHBondContact CD1-OE1 3.32Å |
| 1051 | S | 83.5 | Confident | 77.2 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.2 | -41.9 | 177.5 | 62.4 | 0 | 0 | 0 | 0 | 112.3 | V995 D1047 D1048 L1054 A1055 | V995-S1051 WeakPolarHBondContact CG1-O 3.11Å; D1047-S1051 WeakPolarHBondContact O-CB 3.34Å; D1047-S1051 PolarHBondContact O-N 3.26Å; D1047-S1051 PolarHBondContact O-OG 2.92Å; D1047-S1051 VanDerWaalsContact O-OG 3.14Å; D1048-S1051 WeakPolarHBondContact CA-OG 3.39Å; D1048-S1051 PolarHBondContact O-OG 3.3Å; S1051-L1054 PolarHBondContact O-N 3.47Å; S1051-A1055 WeakPolarHBondContact O-CB 3.22Å; S1051-A1055 PolarHBondContact O-N 2.99Å |
| 1052 | T | 85.6 | Confident | 79.1 | Confident | 7 Ų | 7 | 35.9 Ų | 35.9 | 4% | 0.043 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62 | -45.4 | 175.9 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | L1038 D1048 R1049 L1050 L1054 A1055 L1056 Y1086 F1094 | L1038-T1052 HydrophobicContact CD2-CG2 3.82Å; D1048-T1052 VanDerWaalsContact O-CB 3.32Å; D1048-T1052 WeakPolarHBondContact O-CB 3.43Å; D1048-T1052 PolarHBondContact O-N 3.1Å; D1048-T1052 PolarHBondContact O-OG1 3.48Å; R1049-T1052 PolarHBondContact O-N 3.23Å; L1050-T1052 PolarHBondContact O-N 2.66Å; T1052-L1054 PolarHBondContact O-N 2.96Å; T1052-A1055 PolarHBondContact O-N 3.33Å; T1052-L1056 HydrophobicContact CG2-CD1 4.39Å; T1052-L1056 WeakPolarHBondContact O-CG 3.49Å; T1052-L1056 PolarHBondContact O-N 3.33Å; T1052-Y1086 HydrophobicContact CG2-CD1 3.86Å; T1052-Y1086 HydrophobicContact CG2-CE1 3.46Å; T1052-Y1086 VanDerWaalsContact CG2-CE1 3.46Å; T1052-F1094 HydrophobicContact CG2-CD1 4.33Å; T1052-F1094 HydrophobicContact CG2-CE1 3.64Å; T1052-F1094 HydrophobicContact CG2-CZ 3.79Å |
| 1053 | A | 86.4 | Confident | 80.9 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.4 | -40.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R1049 L1050 A1055 L1056 R1057 F1094 I1097 E1599 | R1049-A1053 WeakPolarHBondContact O-CB 3.16Å; R1049-A1053 PolarHBondContact O-N 3.4Å; L1050-A1053 PolarHBondContact O-N 3.38Å; A1053-A1055 VanDerWaalsContact C-N 3.35Å; A1053-A1055 PolarHBondContact O-N 3.47Å; A1053-L1056 PolarHBondContact O-N 3.43Å; A1053-R1057 WeakPolarHBondContact O-CB 3.15Å; A1053-R1057 WeakPolarHBondContact O-CD 3.29Å; A1053-R1057 VanDerWaalsContact O-CG 3.23Å; A1053-R1057 WeakPolarHBondContact O-CG 3.38Å; A1053-R1057 PolarHBondContact O-N 3.18Å; A1053-F1094 HydrophobicContact CB-CE1 4.5Å; A1053-I1097 HydrophobicContact CB-CD1 3.83Å; A1053-E1599 WeakPolarHBondContact CB-OE2 3.48Å |
| 1054 | L | 89.6 | Confident | 82.6 | Confident | 9 Ų | 9 | 30.6 Ų | 30.6 | 5% | 0.047 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.2 | -38 | 174 | -74.7 | 170.1 | 0 | 0 | 0 | 112.7 | V992 V995 H996 S999 L1050 S1051 T1052 G1058 F1604 | V992-L1054 HydrophobicContact CG1-CD1 4.09Å; V995-L1054 HydrophobicContact CG1-CB 4.06Å; H996-L1054 HydrophobicContact CB-CD1 4.07Å; S999-L1054 PolarHBondContact OG-O 2.77Å; L1050-L1054 HydrophobicContact CD1-CD1 4.34Å; L1050-L1054 HydrophobicContact CD1-CG 4.41Å; L1050-L1054 HydrophobicContact CG-CD1 4.15Å; L1050-L1054 WeakPolarHBondContact O-CB 3.4Å; L1050-L1054 WeakPolarHBondContact O-CG 3.35Å; L1050-L1054 PolarHBondContact O-N 2.91Å; S1051-L1054 PolarHBondContact O-N 3.47Å; T1052-L1054 PolarHBondContact O-N 2.96Å; L1054-G1058 PolarHBondContact O-N 3.47Å; L1054-F1604 HydrophobicContact CD2-CB 4.02Å; L1054-F1604 HydrophobicContact CD2-CD2 3.97Å; L1054-F1604 HydrophobicContact CD2-CG 3.98Å |
| 1055 | A | 90.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.5 | -46.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | V995 S1037 L1038 S1051 T1052 A1053 R1057 G1058 L1059 | V995-A1055 HydrophobicContact CG1-CB 3.88Å; S1037-A1055 VanDerWaalsContact OG-CB 3.24Å; S1037-A1055 WeakPolarHBondContact OG-CB 3.37Å; L1038-A1055 HydrophobicContact CD2-CB 3.65Å; L1038-A1055 HydrophobicContact CG-CB 4.16Å; S1051-A1055 WeakPolarHBondContact O-CB 3.22Å; S1051-A1055 PolarHBondContact O-N 2.99Å; T1052-A1055 PolarHBondContact O-N 3.33Å; A1053-A1055 VanDerWaalsContact C-N 3.35Å; A1053-A1055 PolarHBondContact O-N 3.47Å; A1055-R1057 VanDerWaalsContact C-N 3.33Å; A1055-R1057 PolarHBondContact O-N 3.34Å; A1055-G1058 PolarHBondContact O-N 2.76Å; A1055-L1059 WeakPolarHBondContact O-CG 3.46Å; A1055-L1059 PolarHBondContact O-N 3.06Å |
| 1056 | L | 91.7 | Very high | 85.2 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.6 | -41.2 | 176.3 | -68.9 | 174.7 | 0 | 0 | 0 | 112.1 | L1038 T1052 A1053 L1059 S1060 I1083 Y1086 V1098 L1101 | L1038-L1056 HydrophobicContact CD1-CD2 4.38Å; L1038-L1056 HydrophobicContact CD2-CD2 4.18Å; L1038-L1056 HydrophobicContact CD2-CG 4.13Å; T1052-L1056 HydrophobicContact CG2-CD1 4.39Å; T1052-L1056 WeakPolarHBondContact O-CG 3.49Å; T1052-L1056 PolarHBondContact O-N 3.33Å; A1053-L1056 PolarHBondContact O-N 3.43Å; L1056-L1059 PolarHBondContact O-N 3.4Å; L1056-S1060 PolarHBondContact O-N 2.67Å; L1056-I1083 HydrophobicContact CD2-CG1 4.35Å; L1056-Y1086 HydrophobicContact CD1-CD1 4.28Å; L1056-Y1086 HydrophobicContact CD1-CG 4.12Å; L1056-Y1086 HydrophobicContact CD2-CD2 4.02Å; L1056-Y1086 HydrophobicContact CD2-CG 3.99Å; L1056-V1098 HydrophobicContact CD1-CG2 4.43Å; L1056-L1101 HydrophobicContact CB-CD1 3.85Å; L1056-L1101 WeakPolarHBondContact O-CD1 3.1Å |
| 1057 | R | 93 | Very high | 86.3 | Confident | 8 Ų | 8 | 16.1 Ų | 16.1 | 3% | 0.03 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -65.6 | -42.6 | 175.9 | -69.4 | 166 | 85.5 | 179.6 | 1.5 | 111.5 | A1053 A1055 L1059 S1060 V1061 L1101 E1599 F1600 G1601 L1603 F1604 | A1053-R1057 WeakPolarHBondContact O-CB 3.15Å; A1053-R1057 WeakPolarHBondContact O-CD 3.29Å; A1053-R1057 VanDerWaalsContact O-CG 3.23Å; A1053-R1057 WeakPolarHBondContact O-CG 3.38Å; A1053-R1057 PolarHBondContact O-N 3.18Å; A1055-R1057 VanDerWaalsContact C-N 3.33Å; A1055-R1057 PolarHBondContact O-N 3.34Å; R1057-L1059 PolarHBondContact O-N 3.41Å; R1057-S1060 WeakPolarHBondContact O-CB 3.43Å; R1057-S1060 PolarHBondContact O-N 2.85Å; R1057-V1061 WeakPolarHBondContact O-CG2 3.42Å; R1057-V1061 PolarHBondContact O-N 3.42Å; R1057-L1101 HydrophobicContact CG-CD2 4.14Å; R1057-E1599 IonicContact NH1-OE2 3.23Å; R1057-F1600 PolarHBondContact NH2-O 3.2Å; R1057-G1601 PolarHBondContact NE-O 3.43Å; R1057-L1603 PolarHBondContact NH2-O 3.4Å; R1057-F1604 HydrophobicContact CB-CD1 3.79Å; R1057-F1604 HydrophobicContact CB-CE1 4.17Å |
| 1058 | G | 92.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -57.8 | -44.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | L1054 A1055 S1060 V1061 L1062 | L1054-G1058 PolarHBondContact O-N 3.47Å; A1055-G1058 PolarHBondContact O-N 2.76Å; G1058-S1060 VanDerWaalsContact C-N 3.34Å; G1058-S1060 PolarHBondContact O-N 2.83Å; G1058-V1061 PolarHBondContact O-N 3.02Å; G1058-L1062 PolarHBondContact O-N 3.35Å |
| 1059 | L | 92.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.1 | -40.1 | 174.7 | -71.2 | 175.5 | 0 | 0 | 0 | 112.1 | F1031 L1034 L1038 A1055 L1056 R1057 L1062 L1063 T1082 I1083 | F1031-L1059 HydrophobicContact CD2-CD2 3.67Å; F1031-L1059 HydrophobicContact CE2-CD2 3.99Å; L1034-L1059 HydrophobicContact CB-CD2 3.89Å; L1034-L1059 HydrophobicContact CB-CG 4.15Å; L1034-L1059 HydrophobicContact CD1-CD2 3.9Å; L1034-L1059 HydrophobicContact CD1-CG 4.18Å; L1038-L1059 HydrophobicContact CD1-CD1 3.96Å; A1055-L1059 WeakPolarHBondContact O-CG 3.46Å; A1055-L1059 PolarHBondContact O-N 3.06Å; L1056-L1059 PolarHBondContact O-N 3.4Å; R1057-L1059 PolarHBondContact O-N 3.41Å; L1059-L1062 PolarHBondContact O-N 2.96Å; L1059-L1063 VanDerWaalsContact O-CB 3.25Å; L1059-L1063 WeakPolarHBondContact O-CB 3.22Å; L1059-L1063 PolarHBondContact O-N 3.39Å; L1059-T1082 HydrophobicContact CD1-CG2 3.84Å; L1059-I1083 HydrophobicContact CB-CD1 4.2Å; L1059-I1083 HydrophobicContact CB-CG1 4.33Å |
| 1060 | S | 93 | Very high | 87.1 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.4 | -43.5 | 176.2 | -178.3 | 0 | 0 | 0 | 0 | 112.2 | L1056 R1057 G1058 L1062 L1063 H1064 | L1056-S1060 PolarHBondContact O-N 2.67Å; R1057-S1060 WeakPolarHBondContact O-CB 3.43Å; R1057-S1060 PolarHBondContact O-N 2.85Å; G1058-S1060 VanDerWaalsContact C-N 3.34Å; G1058-S1060 PolarHBondContact O-N 2.83Å; S1060-L1062 VanDerWaalsContact C-N 3.35Å; S1060-L1062 PolarHBondContact O-N 3.18Å; S1060-L1063 WeakPolarHBondContact O-CB 3.49Å; S1060-L1063 PolarHBondContact O-N 2.71Å; S1060-H1064 PolarHBondContact O-N 3.03Å; S1060-H1064 PolarHBondContact O-ND1 3Å |
| 1061 | V | 92.1 | Very high | 86.4 | Confident | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.012 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.8 | -43.5 | 176.1 | 172.7 | 0 | 0 | 0 | 0 | 111 | V1002 L1003 R1057 G1058 H1064 S1065 L1603 F1604 V1609 L1617 | V1002-V1061 HydrophobicContact CG1-CB 4.25Å; V1002-V1061 HydrophobicContact CG1-CG1 3.88Å; L1003-V1061 HydrophobicContact CD1-CG1 3.41Å; L1003-V1061 VanDerWaalsContact CD1-CG1 3.41Å; L1003-V1061 HydrophobicContact CD2-CG1 4.29Å; L1003-V1061 HydrophobicContact CG-CG1 3.72Å; R1057-V1061 WeakPolarHBondContact O-CG2 3.42Å; R1057-V1061 PolarHBondContact O-N 3.42Å; G1058-V1061 PolarHBondContact O-N 3.02Å; V1061-H1064 PolarHBondContact O-N 2.96Å; V1061-S1065 PolarHBondContact O-N 3.23Å; V1061-L1603 HydrophobicContact CG2-CD2 4.43Å; V1061-F1604 HydrophobicContact CG2-CE1 4.45Å; V1061-V1609 HydrophobicContact CG1-CG1 4.19Å; V1061-L1617 HydrophobicContact CG1-CD1 4.48Å; V1061-L1617 HydrophobicContact CG2-CD1 4.48Å |
| 1062 | L | 90.2 | Very high | 85.5 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.2 | -47.7 | 174 | -178.8 | 57.1 | 0 | 0 | 0 | 111.7 | V1002 F1031 G1058 L1059 S1060 H1064 S1065 L1066 I1075 | V1002-L1062 HydrophobicContact CG1-CB 4.45Å; V1002-L1062 HydrophobicContact CG2-CB 3.73Å; V1002-L1062 HydrophobicContact CG2-CD1 4.22Å; V1002-L1062 HydrophobicContact CG2-CD2 4.03Å; V1002-L1062 HydrophobicContact CG2-CG 4.2Å; F1031-L1062 HydrophobicContact CB-CD2 4.36Å; G1058-L1062 PolarHBondContact O-N 3.35Å; L1059-L1062 PolarHBondContact O-N 2.96Å; S1060-L1062 VanDerWaalsContact C-N 3.35Å; S1060-L1062 PolarHBondContact O-N 3.18Å; L1062-H1064 VanDerWaalsContact C-N 3.34Å; L1062-H1064 PolarHBondContact O-N 3.17Å; L1062-S1065 WeakPolarHBondContact O-CB 3.46Å; L1062-S1065 PolarHBondContact O-N 3.21Å; L1062-S1065 VanDerWaalsContact O-N 3.11Å; L1062-L1066 HydrophobicContact CD1-CD1 4.16Å; L1062-L1066 HydrophobicContact CD1-CG 4.15Å; L1062-L1066 HydrophobicContact CG-CD1 3.93Å; L1062-L1066 HydrophobicContact CG-CG 4.35Å; L1062-L1066 WeakPolarHBondContact O-CG 3.3Å; L1062-L1066 PolarHBondContact O-N 3.42Å; L1062-I1075 HydrophobicContact CD2-CG2 4.36Å |
| 1063 | L | 90.7 | Very high | 84.7 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.7 | -44 | 179.6 | 176.9 | 61.8 | 0 | 0 | 0 | 112.1 | L1059 S1060 S1065 L1066 L1067 V1076 C1079 F1080 I1083 L1105 | L1059-L1063 VanDerWaalsContact O-CB 3.25Å; L1059-L1063 WeakPolarHBondContact O-CB 3.22Å; L1059-L1063 PolarHBondContact O-N 3.39Å; S1060-L1063 WeakPolarHBondContact O-CB 3.49Å; S1060-L1063 PolarHBondContact O-N 2.71Å; L1063-S1065 VanDerWaalsContact C-N 3.31Å; L1063-S1065 PolarHBondContact O-N 2.66Å; L1063-L1066 PolarHBondContact O-N 3.17Å; L1063-L1067 HydrophobicContact CD1-CD1 3.88Å; L1063-L1067 HydrophobicContact CD1-CG 3.99Å; L1063-L1067 HydrophobicContact CG-CD1 3.91Å; L1063-L1067 HydrophobicContact CG-CG 4.44Å; L1063-L1067 WeakPolarHBondContact O-CB 3.46Å; L1063-L1067 WeakPolarHBondContact O-CG 3.32Å; L1063-L1067 PolarHBondContact O-N 3.11Å; L1063-V1076 HydrophobicContact CD1-CB 4.35Å; L1063-V1076 HydrophobicContact CD1-CG1 3.76Å; L1063-C1079 HydrophobicContact CB-CB 4.16Å; L1063-C1079 HydrophobicContact CD1-CB 4.29Å; L1063-F1080 HydrophobicContact CD2-CB 4.39Å; L1063-F1080 HydrophobicContact CD2-CD2 4Å; L1063-I1083 HydrophobicContact CD2-CD1 4.25Å; L1063-L1105 HydrophobicContact CD2-CD1 3.65Å; L1063-L1105 HydrophobicContact CD2-CD2 3.93Å; L1063-L1105 HydrophobicContact CD2-CG 4.43Å; L1063-L1105 HydrophobicContact CG-CD2 4.14Å |
| 1064 | H | 90.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.9 | -41.6 | 176 | -79.1 | 70.8 | 0 | 0 | 0 | 112.2 | S1060 V1061 L1062 R1068 S1104 L1105 F1108 V1613 L1617 | S1060-H1064 PolarHBondContact O-N 3.03Å; S1060-H1064 PolarHBondContact O-ND1 3Å; V1061-H1064 PolarHBondContact O-N 2.96Å; L1062-H1064 VanDerWaalsContact C-N 3.34Å; L1062-H1064 PolarHBondContact O-N 3.17Å; H1064-R1068 WeakPolarHBondContact O-CB 3.42Å; H1064-R1068 PolarHBondContact O-N 2.76Å; H1064-R1068 VanDerWaalsContact O-N 3.11Å; H1064-S1104 PolarHBondContact CE1-OG 2.95Å; H1064-S1104 PolarHBondContact NE2-O 2.91Å; H1064-S1104 PolarHBondContact NE2-OG 2.8Å; H1064-L1105 WeakPolarHBondContact CE1-CD2 3.5Å; H1064-F1108 AromaticContact CD2-CE2 3.59Å; H1064-V1613 HydrophobicContact CB-CB 4.45Å; H1064-V1613 HydrophobicContact CB-CG1 4.05Å; H1064-L1617 HydrophobicContact CB-CD2 4.3Å |
| 1065 | S | 86.5 | Confident | 84.1 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.007 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.3 | -41.8 | 178.1 | -177.5 | 0 | 0 | 0 | 0 | 112.1 | V1061 L1062 L1063 R1068 N1069 | V1061-S1065 PolarHBondContact O-N 3.23Å; L1062-S1065 WeakPolarHBondContact O-CB 3.46Å; L1062-S1065 PolarHBondContact O-N 3.21Å; L1062-S1065 VanDerWaalsContact O-N 3.11Å; L1063-S1065 VanDerWaalsContact C-N 3.31Å; L1063-S1065 PolarHBondContact O-N 2.66Å; S1065-R1068 PolarHBondContact O-N 2.86Å; S1065-N1069 WeakPolarHBondContact O-CB 3.49Å; S1065-N1069 PolarHBondContact O-N 2.88Å; S1065-N1069 VanDerWaalsContact O-N 3.17Å; S1065-N1069 PolarHBondContact O-ND2 3.09Å |
| 1066 | L | 86 | Confident | 83.8 | Confident | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.5 | -45.9 | 179.1 | -68 | 174.9 | 0 | 0 | 0 | 112.2 | L1062 L1063 R1068 N1069 N1070 K1071 L1072 I1075 V1076 | L1062-L1066 HydrophobicContact CD1-CD1 4.16Å; L1062-L1066 HydrophobicContact CD1-CG 4.15Å; L1062-L1066 HydrophobicContact CG-CD1 3.93Å; L1062-L1066 HydrophobicContact CG-CG 4.35Å; L1062-L1066 WeakPolarHBondContact O-CG 3.3Å; L1062-L1066 PolarHBondContact O-N 3.42Å; L1063-L1066 PolarHBondContact O-N 3.17Å; L1066-R1068 VanDerWaalsContact C-N 3.32Å; L1066-R1068 PolarHBondContact O-N 2.82Å; L1066-N1069 PolarHBondContact O-N 3.04Å; L1066-N1070 PolarHBondContact O-N 3.12Å; L1066-K1071 PolarHBondContact O-N 3.48Å; L1066-L1072 HydrophobicContact CD2-CB 4.42Å; L1066-L1072 HydrophobicContact CD2-CD1 4.31Å; L1066-I1075 HydrophobicContact CD1-CB 3.87Å; L1066-I1075 HydrophobicContact CD1-CG2 3.5Å; L1066-V1076 HydrophobicContact CB-CG2 3.6Å; L1066-V1076 HydrophobicContact CD1-CG2 4.16Å; L1066-V1076 HydrophobicContact CG-CG2 4.49Å |
| 1067 | L | 85.6 | Confident | 83.5 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61 | -40.5 | 176.6 | -73.5 | 171.1 | 0 | 0 | 0 | 111.6 | L1063 N1069 N1070 V1076 L1105 F1108 L1112 | L1063-L1067 HydrophobicContact CD1-CD1 3.88Å; L1063-L1067 HydrophobicContact CD1-CG 3.99Å; L1063-L1067 HydrophobicContact CG-CD1 3.91Å; L1063-L1067 HydrophobicContact CG-CG 4.44Å; L1063-L1067 WeakPolarHBondContact O-CB 3.46Å; L1063-L1067 WeakPolarHBondContact O-CG 3.32Å; L1063-L1067 PolarHBondContact O-N 3.11Å; L1067-N1069 VanDerWaalsContact C-N 3.28Å; L1067-N1069 PolarHBondContact O-N 3.49Å; L1067-N1070 PolarHBondContact O-N 3.42Å; L1067-N1070 PolarHBondContact O-OD1 3.42Å; L1067-V1076 HydrophobicContact CD2-CG1 3.67Å; L1067-V1076 HydrophobicContact CG-CG1 4.25Å; L1067-L1105 HydrophobicContact CD1-CD2 3.89Å; L1067-F1108 HydrophobicContact CB-CD1 3.76Å; L1067-F1108 HydrophobicContact CB-CE1 4.02Å; L1067-F1108 HydrophobicContact CB-CG 4.08Å; L1067-F1108 HydrophobicContact CD1-CB 4.07Å; L1067-F1108 HydrophobicContact CD1-CD2 4.27Å; L1067-F1108 HydrophobicContact CD1-CG 4.07Å; L1067-L1112 HydrophobicContact CD1-CD2 4.26Å; L1067-L1112 HydrophobicContact CD2-CD2 3.82Å; L1067-L1112 HydrophobicContact CD2-CG 4.42Å |
| 1068 | R | 83.3 | Confident | 83.3 | Confident | 148 Ų | 148 | 36.1 Ų | 36.1 | 56% | 0.558 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -67.6 | -30.1 | 178.8 | -166.8 | 60.6 | 171.5 | -157.3 | -1.3 | 113.1 | H1064 S1065 L1066 F1108 V1613 | H1064-R1068 WeakPolarHBondContact O-CB 3.42Å; H1064-R1068 PolarHBondContact O-N 2.76Å; H1064-R1068 VanDerWaalsContact O-N 3.11Å; S1065-R1068 PolarHBondContact O-N 2.86Å; L1066-R1068 VanDerWaalsContact C-N 3.32Å; L1066-R1068 PolarHBondContact O-N 2.82Å; R1068-F1108 HydrophobicContact CB-CE1 4.02Å; R1068-F1108 HydrophobicContact CB-CZ 4.34Å; R1068-V1613 HydrophobicContact CB-CG1 4.22Å |
| 1069 | N | 76.7 | Confident | 83.1 | Confident | 72 Ų | 72 | 36.1 Ų | 36.1 | 39% | 0.385 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -94.1 | -6.4 | -177 | -70.4 | -39.1 | 0 | 0 | 0 | 113.7 | S1065 L1066 L1067 K1071 | S1065-N1069 WeakPolarHBondContact O-CB 3.49Å; S1065-N1069 PolarHBondContact O-N 2.88Å; S1065-N1069 VanDerWaalsContact O-N 3.17Å; S1065-N1069 PolarHBondContact O-ND2 3.09Å; L1066-N1069 PolarHBondContact O-N 3.04Å; L1067-N1069 VanDerWaalsContact C-N 3.28Å; L1067-N1069 PolarHBondContact O-N 3.49Å; N1069-K1071 VanDerWaalsContact C-N 3.29Å; N1069-K1071 HydrophobicContact CB-CD 4.46Å; N1069-K1071 HydrophobicContact CB-CG 4.47Å; N1069-K1071 PolarHBondContact O-N 3.13Å |
| 1070 | N | 68.3 | Low | 83 | Confident | 109 Ų | 109 | 36.1 Ų | 36.1 | 58% | 0.583 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50 | 44.2 | -174.4 | -72 | -27.9 | 0 | 0 | 0 | 113.1 | L1066 L1067 | L1066-N1070 PolarHBondContact O-N 3.12Å; L1067-N1070 PolarHBondContact O-N 3.42Å; L1067-N1070 PolarHBondContact O-OD1 3.42Å |
| 1071 | K | 67 | Low | 82.7 | Confident | 131 Ų | 131 | 38.7 Ų | 38.7 | 57% | 0.57 | 20% | 0.202 | S | C | * | . | trans | -122.8 | 149 | -178.2 | -73.9 | -179.7 | -177.7 | 179.5 | 0 | 111.4 | L1066 N1069 | L1066-K1071 PolarHBondContact O-N 3.48Å; N1069-K1071 VanDerWaalsContact C-N 3.29Å; N1069-K1071 HydrophobicContact CB-CD 4.46Å; N1069-K1071 HydrophobicContact CB-CG 4.47Å; N1069-K1071 PolarHBondContact O-N 3.13Å | ||
| 1072 | L | 63.5 | Low | 82.6 | Confident | 48 Ų | 48 | 39.6 Ų | 39.6 | 25% | 0.251 | 21% | 0.208 | S | C | . | . | trans | 58.7 | 59.4 | 168.8 | -62.8 | 162.7 | 0 | 0 | 0 | 115 | N1024 L1066 G1074 I1075 V1076 | N1024-L1072 HydrophobicContact CB-CD1 4.34Å; N1024-L1072 HydrophobicContact CB-CD2 4.02Å; L1066-L1072 HydrophobicContact CD2-CB 4.42Å; L1066-L1072 HydrophobicContact CD2-CD1 4.31Å; L1072-G1074 PolarHBondContact O-N 2.97Å; L1072-I1075 HydrophobicContact CB-CB 4.39Å; L1072-I1075 HydrophobicContact CB-CD1 4.07Å; L1072-I1075 HydrophobicContact CB-CG1 4.19Å; L1072-I1075 HydrophobicContact CD1-CD1 3.88Å; L1072-I1075 HydrophobicContact CG-CD1 4.38Å; L1072-I1075 PolarHBondContact O-N 3.42Å; L1072-V1076 PolarHBondContact O-N 3.39Å | ||
| 1073 | N | 68.6 | Low | 82.6 | Confident | 84 Ų | 84 | 39.6 Ų | 39.6 | 45% | 0.449 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -48.6 | -36.3 | -177.4 | -69.5 | 9.9 | 0 | 0 | 0 | 114.8 | I1075 V1076 E1077 | N1073-I1075 PolarHBondContact O-N 2.92Å; N1073-V1076 WeakPolarHBondContact O-CB 3.33Å; N1073-V1076 PolarHBondContact O-N 3.19Å; N1073-E1077 WeakPolarHBondContact O-CG 3.2Å; N1073-E1077 PolarHBondContact O-N 3.29Å |
| 1074 | G | 80.2 | Confident | 82.4 | Confident | 57 Ų | 57 | 39.6 Ų | 39.6 | 59% | 0.588 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -66.5 | -33.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1072 G1078 | L1072-G1074 PolarHBondContact O-N 2.97Å; G1074-G1078 PolarHBondContact O-N 3.32Å |
| 1075 | I | 83 | Confident | 82 | Confident | 5 Ų | 5 | 43.6 Ų | 43.6 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -74.9 | -37.8 | 175 | -55.1 | -178.3 | 0 | 0 | 0 | 110 | Q1027 M1028 F1031 L1062 L1066 L1072 N1073 E1077 G1078 C1079 | Q1027-I1075 HydrophobicContact CB-CD1 4.21Å; M1028-I1075 HydrophobicContact CG-CD1 3.88Å; M1028-I1075 HydrophobicContact CG-CG1 4.45Å; M1028-I1075 HydrophobicContact SD-CD1 3.4Å; M1028-I1075 WeakPolarHBondContact SD-CD1 3.44Å; M1028-I1075 HydrophobicContact SD-CG1 3.33Å; M1028-I1075 WeakPolarHBondContact SD-CG1 3.28Å; F1031-I1075 HydrophobicContact CB-CG2 4.24Å; F1031-I1075 HydrophobicContact CD2-CG2 4.2Å; F1031-I1075 HydrophobicContact CG-CG2 4.13Å; L1062-I1075 HydrophobicContact CD2-CG2 4.36Å; L1066-I1075 HydrophobicContact CD1-CB 3.87Å; L1066-I1075 HydrophobicContact CD1-CG2 3.5Å; L1072-I1075 HydrophobicContact CB-CB 4.39Å; L1072-I1075 HydrophobicContact CB-CD1 4.07Å; L1072-I1075 HydrophobicContact CB-CG1 4.19Å; L1072-I1075 HydrophobicContact CD1-CD1 3.88Å; L1072-I1075 HydrophobicContact CG-CD1 4.38Å; L1072-I1075 PolarHBondContact O-N 3.42Å; N1073-I1075 PolarHBondContact O-N 2.92Å; I1075-E1077 VanDerWaalsContact C-N 3.32Å; I1075-E1077 PolarHBondContact O-N 3.08Å; I1075-G1078 PolarHBondContact O-N 3.44Å; I1075-C1079 WeakPolarHBondContact O-CB 3.43Å; I1075-C1079 PolarHBondContact O-N 3.28Å; I1075-C1079 PolarHBondContact O-SG 3.23Å; I1075-C1079 VanDerWaalsContact O-SG 3.35Å |
| 1076 | V | 84.5 | Confident | 81.9 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.012 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.9 | -49.2 | 174.3 | 173.4 | 0 | 0 | 0 | 0 | 110.3 | L1063 L1066 L1067 L1072 N1073 F1080 | L1063-V1076 HydrophobicContact CD1-CB 4.35Å; L1063-V1076 HydrophobicContact CD1-CG1 3.76Å; L1066-V1076 HydrophobicContact CB-CG2 3.6Å; L1066-V1076 HydrophobicContact CD1-CG2 4.16Å; L1066-V1076 HydrophobicContact CG-CG2 4.49Å; L1067-V1076 HydrophobicContact CD2-CG1 3.67Å; L1067-V1076 HydrophobicContact CG-CG1 4.25Å; L1072-V1076 PolarHBondContact O-N 3.39Å; N1073-V1076 WeakPolarHBondContact O-CB 3.33Å; N1073-V1076 PolarHBondContact O-N 3.19Å; V1076-F1080 WeakPolarHBondContact O-CB 3.1Å; V1076-F1080 PolarHBondContact O-N 2.82Å; V1076-F1080 VanDerWaalsContact O-N 3.09Å |
| 1077 | E | 86.7 | Confident | 81.5 | Confident | 76 Ų | 76 | 44 Ų | 44 | 36% | 0.355 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.5 | -48.8 | 176.3 | -72.1 | 170.9 | -172.6 | 0 | 0 | 111.3 | N1073 I1075 C1079 F1080 E1081 H1116 L1119 | N1073-E1077 WeakPolarHBondContact O-CG 3.2Å; N1073-E1077 PolarHBondContact O-N 3.29Å; I1075-E1077 VanDerWaalsContact C-N 3.32Å; I1075-E1077 PolarHBondContact O-N 3.08Å; E1077-C1079 PolarHBondContact O-N 2.99Å; E1077-F1080 PolarHBondContact O-N 3.37Å; E1077-E1081 WeakPolarHBondContact O-CB 3.41Å; E1077-E1081 WeakPolarHBondContact O-CG 3.32Å; E1077-E1081 PolarHBondContact O-N 3.12Å; E1077-H1116 IonicContact OE1-ND1 3.96Å; E1077-H1116 PolarHBondContact OE1-ND1 3.4Å; E1077-L1119 HydrophobicContact CB-CD1 4.44Å; E1077-L1119 HydrophobicContact CB-CD2 4.25Å; E1077-L1119 HydrophobicContact CG-CD1 3.88Å; E1077-L1119 HydrophobicContact CG-CD2 4.08Å; E1077-L1119 HydrophobicContact CG-CG 4.14Å |
| 1078 | G | 87.9 | Confident | 80.5 | Confident | 15 Ų | 15 | 46.4 Ų | 46.4 | 16% | 0.155 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.6 | -45.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | G1074 I1075 F1080 T1082 | G1074-G1078 PolarHBondContact O-N 3.32Å; I1075-G1078 PolarHBondContact O-N 3.44Å; G1078-F1080 VanDerWaalsContact C-N 3.34Å; G1078-F1080 PolarHBondContact O-N 3.41Å; G1078-T1082 VanDerWaalsContact O-CB 3.29Å; G1078-T1082 WeakPolarHBondContact O-CB 3.34Å; G1078-T1082 PolarHBondContact O-N 2.82Å; G1078-T1082 PolarHBondContact O-OG1 3.1Å |
| 1079 | C | 88.9 | Confident | 79.6 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.7 | -44.8 | 175.8 | -73.1 | 0 | 0 | 0 | 0 | 111.4 | F1031 L1063 I1075 E1077 I1083 | F1031-C1079 VanDerWaalsContact CD2-SG 3.51Å; F1031-C1079 HydrophobicContact CE2-CB 4.43Å; L1063-C1079 HydrophobicContact CB-CB 4.16Å; L1063-C1079 HydrophobicContact CD1-CB 4.29Å; I1075-C1079 WeakPolarHBondContact O-CB 3.43Å; I1075-C1079 PolarHBondContact O-N 3.28Å; I1075-C1079 PolarHBondContact O-SG 3.23Å; I1075-C1079 VanDerWaalsContact O-SG 3.35Å; E1077-C1079 PolarHBondContact O-N 2.99Å; C1079-I1083 WeakPolarHBondContact O-CB 3.29Å; C1079-I1083 WeakPolarHBondContact O-CD1 3.45Å; C1079-I1083 VanDerWaalsContact O-CG1 3.22Å; C1079-I1083 WeakPolarHBondContact O-CG1 3.31Å; C1079-I1083 PolarHBondContact O-N 2.93Å |
| 1080 | F | 88.9 | Confident | 78.5 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69.5 | -45.3 | -176.7 | -167.2 | -83.5 | 0 | 0 | 0 | 111.9 | L1063 V1076 E1077 G1078 I1083 L1084 L1102 L1105 L1112 L1119 L1123 | L1063-F1080 HydrophobicContact CD2-CB 4.39Å; L1063-F1080 HydrophobicContact CD2-CD2 4Å; V1076-F1080 WeakPolarHBondContact O-CB 3.1Å; V1076-F1080 PolarHBondContact O-N 2.82Å; V1076-F1080 VanDerWaalsContact O-N 3.09Å; E1077-F1080 PolarHBondContact O-N 3.37Å; G1078-F1080 VanDerWaalsContact C-N 3.34Å; G1078-F1080 PolarHBondContact O-N 3.41Å; F1080-I1083 PolarHBondContact O-N 3.33Å; F1080-L1084 HydrophobicContact CD1-CD1 3.56Å; F1080-L1084 HydrophobicContact CD1-CG 4.18Å; F1080-L1084 HydrophobicContact CE1-CD1 3.34Å; F1080-L1084 HydrophobicContact CE1-CG 4.11Å; F1080-L1084 HydrophobicContact CZ-CD1 4.4Å; F1080-L1084 WeakPolarHBondContact O-CG 3.38Å; F1080-L1084 PolarHBondContact O-N 3.24Å; F1080-L1102 HydrophobicContact CE2-CD2 4.2Å; F1080-L1102 HydrophobicContact CZ-CD2 4.29Å; F1080-L1105 HydrophobicContact CD2-CD1 3.87Å; F1080-L1105 HydrophobicContact CE2-CD1 3.65Å; F1080-L1112 HydrophobicContact CE2-CD1 4.37Å; F1080-L1112 HydrophobicContact CE2-CD2 4.48Å; F1080-L1119 HydrophobicContact CB-CD1 3.9Å; F1080-L1119 HydrophobicContact CB-CD2 4.39Å; F1080-L1119 HydrophobicContact CD1-CB 3.75Å; F1080-L1119 HydrophobicContact CD1-CD1 4.11Å; F1080-L1119 HydrophobicContact CD1-CD2 3.95Å; F1080-L1119 HydrophobicContact CD1-CG 4.16Å; F1080-L1119 HydrophobicContact CD2-CD1 4.49Å; F1080-L1119 HydrophobicContact CE1-CB 3.71Å; F1080-L1119 WeakPolarHBondContact CE1-O 3.42Å; F1080-L1119 HydrophobicContact CG-CB 4.34Å; F1080-L1119 HydrophobicContact CG-CD1 3.95Å; F1080-L1119 HydrophobicContact CG-CD2 4.46Å; F1080-L1119 HydrophobicContact CG-CG 4.49Å; F1080-L1119 HydrophobicContact CZ-CB 4.32Å; F1080-L1123 HydrophobicContact CE1-CB 4.11Å; F1080-L1123 HydrophobicContact CE1-CD1 4.44Å; F1080-L1123 HydrophobicContact CE2-CD1 4.5Å; F1080-L1123 HydrophobicContact CZ-CB 4.07Å; F1080-L1123 HydrophobicContact CZ-CD1 3.67Å |
| 1081 | E | 88.5 | Confident | 78.5 | Confident | 54 Ų | 54 | 40.3 Ų | 40.3 | 25% | 0.252 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.5 | -44.8 | 175.6 | -71.5 | -175.9 | 160.7 | 0 | 0 | 110.7 | E1077 I1083 L1084 D1085 R1118 L1119 | E1077-E1081 WeakPolarHBondContact O-CB 3.41Å; E1077-E1081 WeakPolarHBondContact O-CG 3.32Å; E1077-E1081 PolarHBondContact O-N 3.12Å; E1081-I1083 VanDerWaalsContact C-N 3.34Å; E1081-I1083 PolarHBondContact O-N 2.92Å; E1081-L1084 CarbonylContact O-C 3.57Å; E1081-L1084 WeakPolarHBondContact O-CA 3.45Å; E1081-L1084 WeakPolarHBondContact O-CB 3.43Å; E1081-L1084 PolarHBondContact O-N 3.31Å; E1081-D1085 PolarHBondContact O-N 3.03Å; E1081-R1118 IonicContact OE1-NE 2.71Å; E1081-R1118 IonicContact OE1-NH2 3.82Å; E1081-R1118 PolarHBondContact OE1-NH2 3.25Å; E1081-L1119 HydrophobicContact CG-CD2 3.87Å |
| 1082 | T | 89.2 | Confident | 78.9 | Confident | 20 Ų | 20 | 34.8 Ų | 34.8 | 12% | 0.123 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.1 | -42.3 | 177.3 | -53.5 | 0 | 0 | 0 | 0 | 112.3 | V1035 L1038 L1059 G1078 L1084 D1085 Y1086 | V1035-T1082 HydrophobicContact CG2-CG2 4.32Å; L1038-T1082 HydrophobicContact CD1-CG2 3.29Å; L1059-T1082 HydrophobicContact CD1-CG2 3.84Å; G1078-T1082 VanDerWaalsContact O-CB 3.29Å; G1078-T1082 WeakPolarHBondContact O-CB 3.34Å; G1078-T1082 PolarHBondContact O-N 2.82Å; G1078-T1082 PolarHBondContact O-OG1 3.1Å; T1082-L1084 VanDerWaalsContact C-N 3.27Å; T1082-L1084 PolarHBondContact O-N 3.47Å; T1082-D1085 PolarHBondContact O-N 3.42Å; T1082-Y1086 PolarHBondContact O-N 3.08Å |
| 1083 | I | 89.6 | Confident | 79.3 | Confident | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.7 | -37.6 | 175.8 | -72.3 | 166.8 | 0 | 0 | 0 | 110.8 | L1056 L1059 L1063 C1079 F1080 E1081 V1098 L1101 L1102 | L1056-I1083 HydrophobicContact CD2-CG1 4.35Å; L1059-I1083 HydrophobicContact CB-CD1 4.2Å; L1059-I1083 HydrophobicContact CB-CG1 4.33Å; L1063-I1083 HydrophobicContact CD2-CD1 4.25Å; C1079-I1083 WeakPolarHBondContact O-CB 3.29Å; C1079-I1083 WeakPolarHBondContact O-CD1 3.45Å; C1079-I1083 VanDerWaalsContact O-CG1 3.22Å; C1079-I1083 WeakPolarHBondContact O-CG1 3.31Å; C1079-I1083 PolarHBondContact O-N 2.93Å; F1080-I1083 PolarHBondContact O-N 3.33Å; E1081-I1083 VanDerWaalsContact C-N 3.34Å; E1081-I1083 PolarHBondContact O-N 2.92Å; I1083-V1098 HydrophobicContact CG2-CG1 3.92Å; I1083-V1098 WeakPolarHBondContact O-CG1 3.49Å; I1083-V1098 WeakPolarHBondContact O-CG2 3.29Å; I1083-L1101 HydrophobicContact CG2-CB 4.46Å; I1083-L1102 HydrophobicContact CG2-CD2 4.09Å; I1083-L1102 HydrophobicContact CG2-CG 4.41Å |
| 1084 | L | 87 | Confident | 79.8 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -72.3 | -38.7 | 178 | -76.3 | 178.8 | 0 | 0 | 0 | 113.3 | F1080 E1081 T1082 Y1086 F1087 L1102 H1122 L1123 V1126 | F1080-L1084 HydrophobicContact CD1-CD1 3.56Å; F1080-L1084 HydrophobicContact CD1-CG 4.18Å; F1080-L1084 HydrophobicContact CE1-CD1 3.34Å; F1080-L1084 HydrophobicContact CE1-CG 4.11Å; F1080-L1084 HydrophobicContact CZ-CD1 4.4Å; F1080-L1084 WeakPolarHBondContact O-CG 3.38Å; F1080-L1084 PolarHBondContact O-N 3.24Å; E1081-L1084 CarbonylContact O-C 3.57Å; E1081-L1084 WeakPolarHBondContact O-CA 3.45Å; E1081-L1084 WeakPolarHBondContact O-CB 3.43Å; E1081-L1084 PolarHBondContact O-N 3.31Å; T1082-L1084 VanDerWaalsContact C-N 3.27Å; T1082-L1084 PolarHBondContact O-N 3.47Å; L1084-Y1086 PolarHBondContact O-N 2.89Å; L1084-F1087 WeakPolarHBondContact O-CB 3.31Å; L1084-F1087 PolarHBondContact O-N 2.95Å; L1084-L1102 HydrophobicContact CD2-CD1 3.61Å; L1084-L1102 HydrophobicContact CD2-CD2 4.15Å; L1084-H1122 HydrophobicContact CD1-CB 4.36Å; L1084-H1122 WeakPolarHBondContact CD1-CD2 3.3Å; L1084-L1123 HydrophobicContact CD1-CB 4.32Å; L1084-L1123 HydrophobicContact CD2-CB 4.5Å; L1084-V1126 HydrophobicContact CB-CG1 4.48Å; L1084-V1126 HydrophobicContact CB-CG2 4.25Å; L1084-V1126 HydrophobicContact CD2-CB 4.12Å; L1084-V1126 HydrophobicContact CD2-CG1 4.01Å; L1084-V1126 HydrophobicContact CD2-CG2 4.45Å |
| 1085 | D | 82.9 | Confident | 80 | Confident | 84 Ų | 84 | 27.7 Ų | 27.7 | 45% | 0.449 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -59.2 | -35.5 | 178.4 | -71.6 | -24.4 | 0 | 0 | 0 | 111.4 | E1081 T1082 F1087 A1088 Y1089 | E1081-D1085 PolarHBondContact O-N 3.03Å; T1082-D1085 PolarHBondContact O-N 3.42Å; D1085-F1087 PolarHBondContact O-N 3.48Å; D1085-A1088 WeakPolarHBondContact O-CB 3.42Å; D1085-A1088 PolarHBondContact O-N 2.77Å; D1085-Y1089 WeakPolarHBondContact O-CD2 3.38Å |
| 1086 | Y | 82.7 | Confident | 80.1 | Confident | 11 Ų | 11 | 28.7 Ų | 28.7 | 4% | 0.043 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -12 | 175.7 | -92.6 | -88.8 | 0 | 0 | 0 | 114.9 | L1038 H1039 T1052 L1056 T1082 L1084 A1088 Y1089 | L1038-Y1086 WeakPolarHBondContact CA-OH 3.3Å; L1038-Y1086 HydrophobicContact CB-CE2 3.65Å; L1038-Y1086 VanDerWaalsContact CB-OH 3.25Å; L1038-Y1086 WeakPolarHBondContact CB-OH 3.31Å; L1038-Y1086 HydrophobicContact CD1-CD2 4.22Å; L1038-Y1086 HydrophobicContact CD1-CE2 3.75Å; L1038-Y1086 HydrophobicContact CD2-CD2 4.45Å; L1038-Y1086 HydrophobicContact CD2-CE1 4.46Å; L1038-Y1086 HydrophobicContact CD2-CE2 3.92Å; L1038-Y1086 HydrophobicContact CG-CE2 3.98Å; H1039-Y1086 VanDerWaalsContact C-OH 3.3Å; H1039-Y1086 PolarHBondContact N-OH 3.22Å; H1039-Y1086 VanDerWaalsContact N-OH 3.12Å; H1039-Y1086 PolarHBondContact O-OH 3.02Å; T1052-Y1086 HydrophobicContact CG2-CD1 3.86Å; T1052-Y1086 HydrophobicContact CG2-CE1 3.46Å; T1052-Y1086 VanDerWaalsContact CG2-CE1 3.46Å; L1056-Y1086 HydrophobicContact CD1-CD1 4.28Å; L1056-Y1086 HydrophobicContact CD1-CG 4.12Å; L1056-Y1086 HydrophobicContact CD2-CD2 4.02Å; L1056-Y1086 HydrophobicContact CD2-CG 3.99Å; T1082-Y1086 PolarHBondContact O-N 3.08Å; L1084-Y1086 PolarHBondContact O-N 2.89Å; Y1086-A1088 VanDerWaalsContact C-N 3.3Å; Y1086-Y1089 HydrophobicContact CD1-CD2 4.37Å; Y1086-Y1089 HydrophobicContact CE1-CD2 4.45Å |
| 1087 | F | 77.8 | Confident | 80.3 | Confident | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.009 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -36.1 | 168.9 | -150.1 | -63.2 | 0 | 0 | 0 | 111.2 | L1084 D1085 Y1089 S1095 V1098 V1126 Y1127 A1130 I1155 | L1084-F1087 WeakPolarHBondContact O-CB 3.31Å; L1084-F1087 PolarHBondContact O-N 2.95Å; D1085-F1087 PolarHBondContact O-N 3.48Å; F1087-Y1089 VanDerWaalsContact C-N 3.34Å; F1087-Y1089 PolarHBondContact O-N 3.4Å; F1087-S1095 PolarHBondContact O-OG 3.27Å; F1087-V1098 HydrophobicContact CB-CG1 4.36Å; F1087-V1098 HydrophobicContact CD2-CB 4.03Å; F1087-V1098 HydrophobicContact CD2-CG1 3.57Å; F1087-V1098 HydrophobicContact CE2-CG1 4.33Å; F1087-V1098 HydrophobicContact CG-CG1 4.42Å; F1087-V1126 HydrophobicContact CB-CG1 3.54Å; F1087-V1126 HydrophobicContact CD1-CG1 4.47Å; F1087-V1126 HydrophobicContact CD2-CG1 4.27Å; F1087-V1126 HydrophobicContact CG-CG1 3.84Å; F1087-Y1127 HydrophobicContact CE2-CD1 4.15Å; F1087-Y1127 HydrophobicContact CE2-CE1 4.06Å; F1087-Y1127 HydrophobicContact CZ-CD1 4.33Å; F1087-Y1127 HydrophobicContact CZ-CE1 4.49Å; F1087-A1130 HydrophobicContact CD1-CB 3.07Å; F1087-A1130 HydrophobicContact CE1-CB 2.99Å; F1087-A1130 HydrophobicContact CG-CB 4.25Å; F1087-A1130 HydrophobicContact CZ-CB 4.08Å; F1087-I1155 HydrophobicContact CE1-CD1 3.92Å; F1087-I1155 HydrophobicContact CZ-CD1 3.6Å; F1087-I1155 HydrophobicContact CZ-CG1 3.73Å |
| 1088 | A | 65.1 | Low | 80.5 | Confident | 55 Ų | 55 | 25.4 Ų | 25.4 | 46% | 0.455 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -14.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | D1085 Y1086 N1090 | D1085-A1088 WeakPolarHBondContact O-CB 3.42Å; D1085-A1088 PolarHBondContact O-N 2.77Å; Y1086-A1088 VanDerWaalsContact C-N 3.3Å; A1088-N1090 PolarHBondContact O-N 3.45Å |
| 1089 | Y | 64.1 | Low | 80.6 | Confident | 84 Ų | 84 | 24.7 Ų | 24.7 | 33% | 0.329 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 20.5 | -176.6 | -79.2 | -82.4 | 0 | 0 | 0 | 114.8 | N1040 D1085 Y1086 F1087 A1091 | N1040-Y1089 HydrophobicContact CB-CE1 4.28Å; N1040-Y1089 WeakPolarHBondContact CB-OH 3.48Å; N1040-Y1089 WeakPolarHBondContact O-CE1 3.5Å; N1040-Y1089 PolarHBondContact OD1-OH 2.87Å; D1085-Y1089 WeakPolarHBondContact O-CD2 3.38Å; Y1086-Y1089 HydrophobicContact CD1-CD2 4.37Å; Y1086-Y1089 HydrophobicContact CE1-CD2 4.45Å; F1087-Y1089 VanDerWaalsContact C-N 3.34Å; F1087-Y1089 PolarHBondContact O-N 3.4Å; Y1089-A1091 VanDerWaalsContact C-N 3.27Å; Y1089-A1091 PolarHBondContact O-N 2.84Å |
| 1090 | N | 54.2 | Low | 80.7 | Confident | 100 Ų | 100 | 24.8 Ų | 24.8 | 54% | 0.535 | 14% | 0.14 | S | C | . | . | trans | 61.8 | 1.1 | 163.9 | -79.8 | -30.9 | 0 | 0 | 0 | 119.7 | A1088 Q1133 | A1088-N1090 PolarHBondContact O-N 3.45Å; N1090-Q1133 PolarHBondContact OD1-OE1 2.87Å | ||
| 1091 | A | 69 | Low | 80.9 | Confident | 17 Ų | 17 | 24.8 Ų | 24.8 | 14% | 0.14 | 14% | 0.14 | C | C | . | . | trans | -90.1 | 120.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | V1043 Y1089 S1093 F1094 S1095 | V1043-A1091 HydrophobicContact CG1-CB 3.89Å; Y1089-A1091 VanDerWaalsContact C-N 3.27Å; Y1089-A1091 PolarHBondContact O-N 2.84Å; A1091-S1093 PolarHBondContact O-N 3.18Å; A1091-S1093 VanDerWaalsContact O-N 3.09Å; A1091-F1094 HydrophobicContact CB-CD2 3.8Å; A1091-F1094 PolarHBondContact O-N 2.9Å; A1091-F1094 VanDerWaalsContact O-N 3.13Å; A1091-S1095 PolarHBondContact O-N 3Å; A1091-S1095 PolarHBondContact O-OG 3.29Å | ||
| 1092 | C | 74.5 | Confident | 81 | Confident | 15 Ų | 15 | 22.3 Ų | 22.3 | 10% | 0.101 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -56.5 | -31.4 | -178.1 | -66.9 | 0 | 0 | 0 | 0 | 112.9 | S1096 E1147 M1148 L1151 | C1092-S1096 WeakPolarHBondContact O-CB 3.39Å; C1092-S1096 PolarHBondContact O-N 3.26Å; C1092-E1147 HydrophobicContact CB-CB 4.34Å; C1092-M1148 VanDerWaalsContact SG-CG 3.58Å; C1092-L1151 HydrophobicContact CB-CD2 4.04Å |
| 1093 | S | 73 | Confident | 81 | Confident | 27 Ų | 27 | 22.2 Ų | 22.2 | 19% | 0.189 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.5 | -50.2 | 176.4 | 52.8 | 0 | 0 | 0 | 0 | 113.2 | R1049 A1091 S1096 I1097 | R1049-S1093 VanDerWaalsContact CZ-CB 3.48Å; A1091-S1093 PolarHBondContact O-N 3.18Å; A1091-S1093 VanDerWaalsContact O-N 3.09Å; S1093-S1096 WeakPolarHBondContact O-CB 3.48Å; S1093-S1096 PolarHBondContact O-N 3.01Å; S1093-I1097 WeakPolarHBondContact O-CG1 3.39Å; S1093-I1097 PolarHBondContact O-N 3.09Å |
| 1094 | F | 79.1 | Confident | 81.1 | Confident | 6 Ų | 6 | 22.1 Ų | 22.1 | 3% | 0.026 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.3 | -43.5 | 178.6 | -72.7 | -53.4 | 0 | 0 | 0 | 111.4 | V1043 R1049 T1052 A1053 A1091 S1096 I1097 V1098 | V1043-F1094 HydrophobicContact CG1-CE2 4.11Å; V1043-F1094 HydrophobicContact CG2-CE2 4.34Å; R1049-F1094 HydrophobicContact CB-CZ 4.15Å; R1049-F1094 HydrophobicContact CG-CE1 4.03Å; R1049-F1094 HydrophobicContact CG-CE2 4.43Å; R1049-F1094 HydrophobicContact CG-CZ 3.72Å; T1052-F1094 HydrophobicContact CG2-CD1 4.33Å; T1052-F1094 HydrophobicContact CG2-CE1 3.64Å; T1052-F1094 HydrophobicContact CG2-CZ 3.79Å; A1053-F1094 HydrophobicContact CB-CE1 4.5Å; A1091-F1094 HydrophobicContact CB-CD2 3.8Å; A1091-F1094 PolarHBondContact O-N 2.9Å; A1091-F1094 VanDerWaalsContact O-N 3.13Å; F1094-S1096 PolarHBondContact O-N 2.99Å; F1094-I1097 PolarHBondContact O-N 2.65Å; F1094-I1097 VanDerWaalsContact O-N 3.08Å; F1094-V1098 WeakPolarHBondContact O-CG2 3.4Å; F1094-V1098 PolarHBondContact O-N 3.38Å |
| 1095 | S | 84 | Confident | 81.2 | Confident | 7 Ų | 7 | 22.2 Ų | 22.2 | 5% | 0.049 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.7 | -37.5 | 175.2 | -52.6 | 0 | 0 | 0 | 0 | 111.7 | F1087 A1091 V1098 C1099 L1151 | F1087-S1095 PolarHBondContact O-OG 3.27Å; A1091-S1095 PolarHBondContact O-N 3Å; A1091-S1095 PolarHBondContact O-OG 3.29Å; S1095-V1098 PolarHBondContact O-N 3.5Å; S1095-C1099 PolarHBondContact O-N 3.41Å; S1095-C1099 PolarHBondContact O-SG 2.9Å; S1095-C1099 VanDerWaalsContact O-SG 3.42Å; S1095-L1151 VanDerWaalsContact CB-CD2 3.48Å |
| 1096 | S | 84.9 | Confident | 81.3 | Confident | 25 Ų | 25 | 18.8 Ų | 18.8 | 18% | 0.175 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.4 | -44.7 | 173.8 | -177.5 | 0 | 0 | 0 | 0 | 112 | C1092 S1093 F1094 C1099 Q1100 | C1092-S1096 WeakPolarHBondContact O-CB 3.39Å; C1092-S1096 PolarHBondContact O-N 3.26Å; S1093-S1096 WeakPolarHBondContact O-CB 3.48Å; S1093-S1096 PolarHBondContact O-N 3.01Å; F1094-S1096 PolarHBondContact O-N 2.99Å; S1096-C1099 WeakPolarHBondContact O-CB 3.21Å; S1096-C1099 PolarHBondContact O-N 2.89Å; S1096-Q1100 VanDerWaalsContact O-CG 3.31Å; S1096-Q1100 WeakPolarHBondContact O-CG 3.26Å; S1096-Q1100 PolarHBondContact O-N 3.41Å; S1096-Q1100 VanDerWaalsContact O-N 3.12Å |
| 1097 | I | 87.8 | Confident | 81.3 | Confident | 10 Ų | 10 | 21.3 Ų | 21.3 | 5% | 0.051 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.8 | -46.9 | 174.9 | -66.5 | 169.9 | 0 | 0 | 0 | 110 | A1053 S1093 F1094 C1099 Q1100 L1101 E1599 | A1053-I1097 HydrophobicContact CB-CD1 3.83Å; S1093-I1097 WeakPolarHBondContact O-CG1 3.39Å; S1093-I1097 PolarHBondContact O-N 3.09Å; F1094-I1097 PolarHBondContact O-N 2.65Å; F1094-I1097 VanDerWaalsContact O-N 3.08Å; I1097-C1099 VanDerWaalsContact C-N 3.34Å; I1097-C1099 PolarHBondContact O-N 2.83Å; I1097-Q1100 WeakPolarHBondContact O-CA 3.44Å; I1097-Q1100 VanDerWaalsContact O-CB 3.31Å; I1097-Q1100 WeakPolarHBondContact O-CB 3.3Å; I1097-Q1100 PolarHBondContact O-N 3.05Å; I1097-L1101 HydrophobicContact CG2-CD1 4.11Å; I1097-L1101 HydrophobicContact CG2-CG 4.24Å; I1097-L1101 WeakPolarHBondContact O-CG 3.34Å; I1097-L1101 PolarHBondContact O-N 2.73Å; I1097-E1599 HydrophobicContact CD1-CB 4.15Å |
| 1098 | V | 90.5 | Very high | 81.7 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.7 | -45.4 | 178.1 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | L1056 I1083 F1087 F1094 S1095 Q1100 L1101 L1102 | L1056-V1098 HydrophobicContact CD1-CG2 4.43Å; I1083-V1098 HydrophobicContact CG2-CG1 3.92Å; I1083-V1098 WeakPolarHBondContact O-CG1 3.49Å; I1083-V1098 WeakPolarHBondContact O-CG2 3.29Å; F1087-V1098 HydrophobicContact CB-CG1 4.36Å; F1087-V1098 HydrophobicContact CD2-CB 4.03Å; F1087-V1098 HydrophobicContact CD2-CG1 3.57Å; F1087-V1098 HydrophobicContact CE2-CG1 4.33Å; F1087-V1098 HydrophobicContact CG-CG1 4.42Å; F1094-V1098 WeakPolarHBondContact O-CG2 3.4Å; F1094-V1098 PolarHBondContact O-N 3.38Å; S1095-V1098 PolarHBondContact O-N 3.5Å; V1098-Q1100 VanDerWaalsContact C-N 3.29Å; V1098-Q1100 PolarHBondContact O-N 3.35Å; V1098-L1101 PolarHBondContact O-N 3.43Å; V1098-L1101 VanDerWaalsContact O-N 3.14Å; V1098-L1102 HydrophobicContact CG1-CD1 3.8Å; V1098-L1102 HydrophobicContact CG1-CG 4.12Å; V1098-L1102 WeakPolarHBondContact O-CG 3.13Å; V1098-L1102 PolarHBondContact O-N 3.13Å |
| 1099 | C | 90.3 | Very high | 82.5 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -53.2 | -45.7 | 172.1 | -79.6 | 0 | 0 | 0 | 0 | 112.2 | S1095 S1096 I1097 L1101 L1102 N1103 R1154 D1158 | S1095-C1099 PolarHBondContact O-N 3.41Å; S1095-C1099 PolarHBondContact O-SG 2.9Å; S1095-C1099 VanDerWaalsContact O-SG 3.42Å; S1096-C1099 WeakPolarHBondContact O-CB 3.21Å; S1096-C1099 PolarHBondContact O-N 2.89Å; I1097-C1099 VanDerWaalsContact C-N 3.34Å; I1097-C1099 PolarHBondContact O-N 2.83Å; C1099-L1101 PolarHBondContact O-N 3.17Å; C1099-L1102 PolarHBondContact O-N 3.46Å; C1099-N1103 WeakPolarHBondContact O-CB 3.37Å; C1099-N1103 PolarHBondContact O-N 3.34Å; C1099-R1154 HydrophobicContact CB-CG 3.67Å; C1099-D1158 WeakPolarHBondContact CB-OD2 3.37Å |
| 1100 | Q | 92.1 | Very high | 82.9 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.1 | -40.6 | 178.7 | -65.4 | 176.6 | 58.6 | 0 | 0 | 112.4 | S1096 I1097 V1098 S1104 E1599 N1624 | S1096-Q1100 VanDerWaalsContact O-CG 3.31Å; S1096-Q1100 WeakPolarHBondContact O-CG 3.26Å; S1096-Q1100 PolarHBondContact O-N 3.41Å; S1096-Q1100 VanDerWaalsContact O-N 3.12Å; I1097-Q1100 WeakPolarHBondContact O-CA 3.44Å; I1097-Q1100 VanDerWaalsContact O-CB 3.31Å; I1097-Q1100 WeakPolarHBondContact O-CB 3.3Å; I1097-Q1100 PolarHBondContact O-N 3.05Å; V1098-Q1100 VanDerWaalsContact C-N 3.29Å; V1098-Q1100 PolarHBondContact O-N 3.35Å; Q1100-S1104 PolarHBondContact O-N 2.7Å; Q1100-E1599 PolarHBondContact NE2-O 3.17Å; Q1100-N1624 HydrophobicContact CG-CB 4.44Å; Q1100-N1624 VanDerWaalsContact OE1-CB 3.32Å |
| 1101 | L | 93.2 | Very high | 84.1 | Confident | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -68.6 | -43.6 | 178.2 | -59.1 | -178.7 | 0 | 0 | 0 | 111.3 | L1056 R1057 I1083 I1097 V1098 C1099 S1104 P1602 | L1056-L1101 HydrophobicContact CB-CD1 3.85Å; L1056-L1101 WeakPolarHBondContact O-CD1 3.1Å; R1057-L1101 HydrophobicContact CG-CD2 4.14Å; I1083-L1101 HydrophobicContact CG2-CB 4.46Å; I1097-L1101 HydrophobicContact CG2-CD1 4.11Å; I1097-L1101 HydrophobicContact CG2-CG 4.24Å; I1097-L1101 WeakPolarHBondContact O-CG 3.34Å; I1097-L1101 PolarHBondContact O-N 2.73Å; V1098-L1101 PolarHBondContact O-N 3.43Å; V1098-L1101 VanDerWaalsContact O-N 3.14Å; C1099-L1101 PolarHBondContact O-N 3.17Å; L1101-S1104 PolarHBondContact O-N 2.88Å; L1101-S1104 PolarHBondContact O-OG 3.27Å; L1101-P1602 HydrophobicContact CD2-CB 4.02Å |
| 1102 | L | 91.1 | Very high | 84.7 | Confident | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.6 | -42.6 | 177.7 | -65.5 | 175.7 | 0 | 0 | 0 | 111.9 | F1080 I1083 L1084 V1098 C1099 S1104 L1105 L1123 Y1127 W1162 | F1080-L1102 HydrophobicContact CE2-CD2 4.2Å; F1080-L1102 HydrophobicContact CZ-CD2 4.29Å; I1083-L1102 HydrophobicContact CG2-CD2 4.09Å; I1083-L1102 HydrophobicContact CG2-CG 4.41Å; L1084-L1102 HydrophobicContact CD2-CD1 3.61Å; L1084-L1102 HydrophobicContact CD2-CD2 4.15Å; V1098-L1102 HydrophobicContact CG1-CD1 3.8Å; V1098-L1102 HydrophobicContact CG1-CG 4.12Å; V1098-L1102 WeakPolarHBondContact O-CG 3.13Å; V1098-L1102 PolarHBondContact O-N 3.13Å; C1099-L1102 PolarHBondContact O-N 3.46Å; L1102-S1104 PolarHBondContact O-N 3.32Å; L1102-L1105 HydrophobicContact CD2-CD1 4.32Å; L1102-L1105 VanDerWaalsContact O-CB 3.29Å; L1102-L1105 WeakPolarHBondContact O-CB 3.01Å; L1102-L1105 PolarHBondContact O-N 3.1Å; L1102-L1123 HydrophobicContact CB-CD1 4.48Å; L1102-L1123 HydrophobicContact CD1-CD1 4.19Å; L1102-L1123 HydrophobicContact CD2-CD1 4.13Å; L1102-Y1127 HydrophobicContact CD1-CE2 3.78Å; L1102-W1162 WeakPolarHBondContact O-CZ2 3.44Å |
| 1103 | N | 88.3 | Confident | 84.7 | Confident | 18 Ų | 18 | 19.3 Ų | 19.3 | 10% | 0.096 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58.7 | -35.7 | 177.2 | -172.5 | -64.9 | 0 | 0 | 0 | 111.6 | C1099 L1105 F1106 D1158 | C1099-N1103 WeakPolarHBondContact O-CB 3.37Å; C1099-N1103 PolarHBondContact O-N 3.34Å; N1103-L1105 PolarHBondContact O-N 3.38Å; N1103-L1105 VanDerWaalsContact O-N 3.08Å; N1103-F1106 HydrophobicContact CB-CE2 4.1Å; N1103-F1106 HydrophobicContact CB-CZ 4.1Å; N1103-F1106 WeakPolarHBondContact ND2-CE2 3.26Å; N1103-F1106 WeakPolarHBondContact ND2-CZ 3.26Å; N1103-F1106 WeakPolarHBondContact O-CD2 3.44Å; N1103-F1106 WeakPolarHBondContact O-CG 3.26Å; N1103-F1106 PolarHBondContact O-N 3.35Å; N1103-F1106 WeakPolarHBondContact OD1-CE2 2.84Å; N1103-D1158 PolarHBondContact ND2-OD1 3.16Å |
| 1104 | S | 90.9 | Very high | 84.7 | Confident | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.007 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -16.9 | 175.8 | 67.4 | 0 | 0 | 0 | 0 | 114.4 | H1064 Q1100 L1101 L1102 P1107 | H1064-S1104 PolarHBondContact CE1-OG 2.95Å; H1064-S1104 PolarHBondContact NE2-O 2.91Å; H1064-S1104 PolarHBondContact NE2-OG 2.8Å; Q1100-S1104 PolarHBondContact O-N 2.7Å; L1101-S1104 PolarHBondContact O-N 2.88Å; L1101-S1104 PolarHBondContact O-OG 3.27Å; L1102-S1104 PolarHBondContact O-N 3.32Å; S1104-P1107 VanDerWaalsContact O-CD 3.31Å; S1104-P1107 WeakPolarHBondContact O-CD 3.12Å |
| 1105 | L | 90.1 | Very high | 84.6 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -3.1 | 178.5 | -57.4 | 172.5 | 0 | 0 | 0 | 114.7 | L1063 H1064 L1067 F1080 L1102 N1103 P1107 F1108 C1109 L1112 W1162 | L1063-L1105 HydrophobicContact CD2-CD1 3.65Å; L1063-L1105 HydrophobicContact CD2-CD2 3.93Å; L1063-L1105 HydrophobicContact CD2-CG 4.43Å; L1063-L1105 HydrophobicContact CG-CD2 4.14Å; H1064-L1105 WeakPolarHBondContact CE1-CD2 3.5Å; L1067-L1105 HydrophobicContact CD1-CD2 3.89Å; F1080-L1105 HydrophobicContact CD2-CD1 3.87Å; F1080-L1105 HydrophobicContact CE2-CD1 3.65Å; L1102-L1105 HydrophobicContact CD2-CD1 4.32Å; L1102-L1105 VanDerWaalsContact O-CB 3.29Å; L1102-L1105 WeakPolarHBondContact O-CB 3.01Å; L1102-L1105 PolarHBondContact O-N 3.1Å; N1103-L1105 PolarHBondContact O-N 3.38Å; N1103-L1105 VanDerWaalsContact O-N 3.08Å; L1105-P1107 VanDerWaalsContact C-N 3.29Å; L1105-P1107 VanDerWaalsContact O-N 3.15Å; L1105-F1108 HydrophobicContact CD2-CD2 4.39Å; L1105-F1108 WeakPolarHBondContact O-CA 3.13Å; L1105-F1108 WeakPolarHBondContact O-CB 3.31Å; L1105-F1108 PolarHBondContact O-N 3.48Å; L1105-C1109 PolarHBondContact O-N 3.43Å; L1105-L1112 HydrophobicContact CB-CD1 4.34Å; L1105-W1162 HydrophobicContact CB-CH2 4.13Å; L1105-W1162 HydrophobicContact CB-CZ2 4.45Å |
| 1106 | F | 84.8 | Confident | 84.4 | Confident | 13 Ų | 13 | 27.4 Ų | 27.4 | 6% | 0.057 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -49.1 | -39.2 | 178.3 | -69.5 | -25.6 | 0 | 0 | 0 | 115.5 | N1103 F1108 C1109 E1161 W1162 L1165 | N1103-F1106 HydrophobicContact CB-CE2 4.1Å; N1103-F1106 HydrophobicContact CB-CZ 4.1Å; N1103-F1106 WeakPolarHBondContact ND2-CE2 3.26Å; N1103-F1106 WeakPolarHBondContact ND2-CZ 3.26Å; N1103-F1106 WeakPolarHBondContact O-CD2 3.44Å; N1103-F1106 WeakPolarHBondContact O-CG 3.26Å; N1103-F1106 PolarHBondContact O-N 3.35Å; N1103-F1106 WeakPolarHBondContact OD1-CE2 2.84Å; F1106-F1108 PolarHBondContact O-N 3.03Å; F1106-C1109 WeakPolarHBondContact O-CB 3.43Å; F1106-C1109 PolarHBondContact O-N 3.13Å; F1106-E1161 HydrophobicContact CD2-CG 4.07Å; F1106-E1161 HydrophobicContact CE1-CB 4.32Å; F1106-E1161 HydrophobicContact CE1-CG 4.26Å; F1106-E1161 HydrophobicContact CE2-CB 4.08Å; F1106-E1161 HydrophobicContact CE2-CG 3.48Å; F1106-E1161 VanDerWaalsContact CE2-CG 3.48Å; F1106-E1161 WeakPolarHBondContact CE2-OE2 3.39Å; F1106-E1161 HydrophobicContact CZ-CB 3.69Å; F1106-E1161 HydrophobicContact CZ-CG 3.6Å; F1106-W1162 AromaticContact CD1-CD2 3.81Å; F1106-W1162 HydrophobicContact CD1-CD2 3.81Å; F1106-W1162 AromaticContact CD1-CE2 3.67Å; F1106-W1162 AromaticContact CD1-CE3 3.94Å; F1106-W1162 HydrophobicContact CD1-CE3 3.94Å; F1106-W1162 HydrophobicContact CD1-CG 4.49Å; F1106-W1162 AromaticContact CD1-CH2 3.87Å; F1106-W1162 HydrophobicContact CD1-CH2 3.87Å; F1106-W1162 AromaticContact CD1-CZ2 3.71Å; F1106-W1162 HydrophobicContact CD1-CZ2 3.71Å; F1106-W1162 AromaticContact CD1-CZ3 3.99Å; F1106-W1162 HydrophobicContact CD1-CZ3 3.99Å; F1106-W1162 AromaticContact CE1-CD1 3.77Å; F1106-W1162 AromaticContact CE1-CD2 3.57Å; F1106-W1162 HydrophobicContact CE1-CD2 3.57Å; F1106-W1162 AromaticContact CE1-CE2 3.38Å; F1106-W1162 HydrophobicContact CE1-CE3 4.18Å; F1106-W1162 AromaticContact CE1-CG 3.84Å; F1106-W1162 HydrophobicContact CE1-CG 3.84Å; F1106-W1162 HydrophobicContact CE1-CH2 4.43Å; F1106-W1162 AromaticContact CE1-CZ2 3.84Å; F1106-W1162 HydrophobicContact CE1-CZ2 3.84Å; F1106-W1162 AromaticContact CE1-NE1 3.49Å; F1106-L1165 HydrophobicContact CB-CD1 3.61Å; F1106-L1165 HydrophobicContact CD1-CD1 3.71Å; F1106-L1165 HydrophobicContact CD2-CD1 4.21Å; F1106-L1165 HydrophobicContact CE1-CD1 4.41Å; F1106-L1165 HydrophobicContact CG-CD1 3.59Å |
| 1107 | P | 83.2 | Confident | 83.9 | Confident | 64 Ų | 64 | 28.7 Ų | 28.7 | 42% | 0.416 | 14% | 0.138 | S | C | . | . | G | 310 helix | trans | -62.3 | -22.7 | 177.1 | -25.1 | 38.4 | 0 | 0 | 0 | 113.9 | S1104 L1105 | S1104-P1107 VanDerWaalsContact O-CD 3.31Å; S1104-P1107 WeakPolarHBondContact O-CD 3.12Å; L1105-P1107 VanDerWaalsContact C-N 3.29Å; L1105-P1107 VanDerWaalsContact O-N 3.15Å |
| 1108 | F | 85.7 | Confident | 83.4 | Confident | 7 Ų | 7 | 35.8 Ų | 35.8 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -96.5 | 5.3 | 178 | -55 | -79.9 | 0 | 0 | 0 | 112.9 | H1064 L1067 R1068 L1105 F1106 R1110 D1111 L1112 | H1064-F1108 AromaticContact CD2-CE2 3.59Å; L1067-F1108 HydrophobicContact CB-CD1 3.76Å; L1067-F1108 HydrophobicContact CB-CE1 4.02Å; L1067-F1108 HydrophobicContact CB-CG 4.08Å; L1067-F1108 HydrophobicContact CD1-CB 4.07Å; L1067-F1108 HydrophobicContact CD1-CD2 4.27Å; L1067-F1108 HydrophobicContact CD1-CG 4.07Å; R1068-F1108 HydrophobicContact CB-CE1 4.02Å; R1068-F1108 HydrophobicContact CB-CZ 4.34Å; L1105-F1108 HydrophobicContact CD2-CD2 4.39Å; L1105-F1108 WeakPolarHBondContact O-CA 3.13Å; L1105-F1108 WeakPolarHBondContact O-CB 3.31Å; L1105-F1108 PolarHBondContact O-N 3.48Å; F1106-F1108 PolarHBondContact O-N 3.03Å; F1108-R1110 PolarHBondContact O-N 3.27Å; F1108-R1110 VanDerWaalsContact O-N 3.12Å; F1108-D1111 PolarHBondContact O-N 3.43Å; F1108-L1112 HydrophobicContact CB-CD1 4.41Å; F1108-L1112 HydrophobicContact CB-CG 4.44Å; F1108-L1112 WeakPolarHBondContact O-CB 3.27Å; F1108-L1112 WeakPolarHBondContact O-CG 3.17Å; F1108-L1112 PolarHBondContact O-N 2.98Å |
| 1109 | C | 81.3 | Confident | 83 | Confident | 5 Ų | 5 | 35.9 Ų | 35.9 | 3% | 0.034 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -51.8 | -39.5 | -178.2 | 179 | 0 | 0 | 0 | 0 | 112.6 | L1105 F1106 S1113 W1162 L1165 I1166 | L1105-C1109 PolarHBondContact O-N 3.43Å; F1106-C1109 WeakPolarHBondContact O-CB 3.43Å; F1106-C1109 PolarHBondContact O-N 3.13Å; C1109-S1113 WeakPolarHBondContact O-CB 3.29Å; C1109-S1113 PolarHBondContact O-N 3.48Å; C1109-S1113 PolarHBondContact O-OG 3.17Å; C1109-W1162 HydrophobicContact CB-CE3 4.35Å; C1109-W1162 HydrophobicContact CB-CZ3 3.75Å; C1109-L1165 HydrophobicContact CB-CB 4.21Å; C1109-I1166 VanDerWaalsContact SG-CG1 3.53Å |
| 1110 | R | 73.2 | Confident | 82.5 | Confident | 163 Ų | 163 | 35.9 Ų | 35.9 | 62% | 0.615 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -63.3 | -52 | 175.6 | -175.2 | 178.4 | 178.1 | -165 | -8.5 | 111.8 | F1108 L1112 S1113 E1114 | F1108-R1110 PolarHBondContact O-N 3.27Å; F1108-R1110 VanDerWaalsContact O-N 3.12Å; R1110-L1112 VanDerWaalsContact C-N 3.33Å; R1110-L1112 PolarHBondContact O-N 2.79Å; R1110-S1113 WeakPolarHBondContact CA-OG 3.47Å; R1110-S1113 PolarHBondContact O-N 3.24Å; R1110-S1113 VanDerWaalsContact O-N 3.11Å; R1110-S1113 PolarHBondContact O-OG 2.95Å; R1110-E1114 HydrophobicContact CG-CG 4.41Å; R1110-E1114 WeakPolarHBondContact CG-OE1 3.4Å; R1110-E1114 IonicContact CZ-OE1 2.67Å; R1110-E1114 IonicContact NE-OE1 2.79Å; R1110-E1114 PolarHBondContact NE-OE1 3.29Å; R1110-E1114 IonicContact NE-OE2 3.63Å; R1110-E1114 IonicContact NH2-OE1 3.3Å; R1110-E1114 PolarHBondContact NH2-OE1 3.18Å; R1110-E1114 WeakPolarHBondContact O-CG 3.23Å; R1110-E1114 PolarHBondContact O-N 2.68Å |
| 1111 | D | 78.8 | Confident | 81.7 | Confident | 47 Ų | 47 | 36.6 Ų | 36.6 | 25% | 0.251 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.4 | -40.4 | -178.5 | -59.6 | -32.5 | 0 | 0 | 0 | 111.4 | F1108 S1113 E1114 N1115 | F1108-D1111 PolarHBondContact O-N 3.43Å; D1111-S1113 VanDerWaalsContact C-N 3.34Å; D1111-E1114 PolarHBondContact O-N 3.23Å; D1111-N1115 WeakPolarHBondContact O-CB 3.32Å; D1111-N1115 PolarHBondContact O-N 3.25Å; D1111-N1115 PolarHBondContact O-ND2 2.87Å |
| 1112 | L | 82 | Confident | 81.1 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.6 | -42.4 | 172.8 | -71.4 | 169.7 | 0 | 0 | 0 | 111.4 | L1067 F1080 L1105 F1108 R1110 H1116 F1117 M1120 W1162 | L1067-L1112 HydrophobicContact CD1-CD2 4.26Å; L1067-L1112 HydrophobicContact CD2-CD2 3.82Å; L1067-L1112 HydrophobicContact CD2-CG 4.42Å; F1080-L1112 HydrophobicContact CE2-CD1 4.37Å; F1080-L1112 HydrophobicContact CE2-CD2 4.48Å; L1105-L1112 HydrophobicContact CB-CD1 4.34Å; F1108-L1112 HydrophobicContact CB-CD1 4.41Å; F1108-L1112 HydrophobicContact CB-CG 4.44Å; F1108-L1112 WeakPolarHBondContact O-CB 3.27Å; F1108-L1112 WeakPolarHBondContact O-CG 3.17Å; F1108-L1112 PolarHBondContact O-N 2.98Å; R1110-L1112 VanDerWaalsContact C-N 3.33Å; R1110-L1112 PolarHBondContact O-N 2.79Å; L1112-H1116 HydrophobicContact CD2-CB 4.34Å; L1112-H1116 CarbonylContact O-C 3.6Å; L1112-H1116 VanDerWaalsContact O-CA 3.24Å; L1112-H1116 WeakPolarHBondContact O-CA 3.44Å; L1112-H1116 PolarHBondContact O-N 2.91Å; L1112-F1117 PolarHBondContact O-N 3.28Å; L1112-M1120 HydrophobicContact CB-CG 4.02Å; L1112-M1120 HydrophobicContact CB-SD 3.74Å; L1112-M1120 HydrophobicContact CD1-SD 4.11Å; L1112-W1162 HydrophobicContact CD1-CH2 4.2Å |
| 1113 | S | 74.2 | Confident | 80.9 | Confident | 8 Ų | 8 | 38.5 Ų | 38.5 | 6% | 0.056 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -70.6 | -32.4 | -179.9 | 74.5 | 0 | 0 | 0 | 0 | 113.7 | C1109 R1110 D1111 P1167 | C1109-S1113 WeakPolarHBondContact O-CB 3.29Å; C1109-S1113 PolarHBondContact O-N 3.48Å; C1109-S1113 PolarHBondContact O-OG 3.17Å; R1110-S1113 WeakPolarHBondContact CA-OG 3.47Å; R1110-S1113 PolarHBondContact O-N 3.24Å; R1110-S1113 VanDerWaalsContact O-N 3.11Å; R1110-S1113 PolarHBondContact O-OG 2.95Å; D1111-S1113 VanDerWaalsContact C-N 3.34Å; S1113-P1167 WeakPolarHBondContact OG-CD 3.35Å; S1113-P1167 WeakPolarHBondContact OG-CG 3.39Å |
| 1114 | E | 72.8 | Confident | 80.5 | Confident | 109 Ų | 109 | 37.7 Ų | 37.7 | 51% | 0.509 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -84.3 | -41.7 | -179 | -71 | 179 | -175 | 0 | 0 | 111.7 | R1110 D1111 | R1110-E1114 HydrophobicContact CG-CG 4.41Å; R1110-E1114 WeakPolarHBondContact CG-OE1 3.4Å; R1110-E1114 IonicContact CZ-OE1 2.67Å; R1110-E1114 IonicContact NE-OE1 2.79Å; R1110-E1114 PolarHBondContact NE-OE1 3.29Å; R1110-E1114 IonicContact NE-OE2 3.63Å; R1110-E1114 IonicContact NH2-OE1 3.3Å; R1110-E1114 PolarHBondContact NH2-OE1 3.18Å; R1110-E1114 WeakPolarHBondContact O-CG 3.23Å; R1110-E1114 PolarHBondContact O-N 2.68Å; D1111-E1114 PolarHBondContact O-N 3.23Å |
| 1115 | N | 77.5 | Confident | 79.9 | Confident | 90 Ų | 90 | 39.7 Ų | 39.7 | 48% | 0.481 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -106.7 | -25.1 | -171.3 | -59.8 | -46.7 | 0 | 0 | 0 | 114.5 | D1111 | D1111-N1115 WeakPolarHBondContact O-CB 3.32Å; D1111-N1115 PolarHBondContact O-N 3.25Å; D1111-N1115 PolarHBondContact O-ND2 2.87Å |
| 1116 | H | 79 | Confident | 79.6 | Confident | 11 Ų | 11 | 40.6 Ų | 40.6 | 5% | 0.051 | 19% | 0.191 | C | C | . | . | trans | -130.9 | 43.4 | -173.4 | -60.3 | -75.6 | 0 | 0 | 0 | 112.1 | E1077 L1112 R1118 L1119 M1120 | E1077-H1116 IonicContact OE1-ND1 3.96Å; E1077-H1116 PolarHBondContact OE1-ND1 3.4Å; L1112-H1116 HydrophobicContact CD2-CB 4.34Å; L1112-H1116 CarbonylContact O-C 3.6Å; L1112-H1116 VanDerWaalsContact O-CA 3.24Å; L1112-H1116 WeakPolarHBondContact O-CA 3.44Å; L1112-H1116 PolarHBondContact O-N 2.91Å; H1116-R1118 PolarHBondContact O-N 3.47Å; H1116-L1119 HydrophobicContact CB-CB 4.29Å; H1116-L1119 HydrophobicContact CB-CD1 3.71Å; H1116-L1119 HydrophobicContact CB-CG 4.04Å; H1116-L1119 WeakPolarHBondContact O-CB 3.42Å; H1116-L1119 PolarHBondContact O-N 3.32Å; H1116-M1120 PolarHBondContact O-N 3.16Å | ||
| 1117 | F | 75.5 | Confident | 79.5 | Confident | 53 Ų | 53 | 40 Ų | 40 | 23% | 0.232 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -50.6 | -34.8 | -175.1 | 175 | -94 | 0 | 0 | 0 | 114.2 | L1112 M1120 R1121 V1170 S1173 | L1112-F1117 PolarHBondContact O-N 3.28Å; F1117-M1120 PolarHBondContact O-N 2.74Å; F1117-R1121 VanDerWaalsContact CE1-CD 3.47Å; F1117-R1121 HydrophobicContact CE1-CG 4.38Å; F1117-R1121 HydrophobicContact CZ-CG 4.42Å; F1117-R1121 PolarHBondContact O-N 3.41Å; F1117-V1170 HydrophobicContact CD2-CB 4.36Å; F1117-V1170 HydrophobicContact CD2-CG1 3.85Å; F1117-V1170 HydrophobicContact CD2-CG2 3.95Å; F1117-V1170 HydrophobicContact CE2-CB 4Å; F1117-V1170 HydrophobicContact CE2-CG1 3.61Å; F1117-V1170 HydrophobicContact CE2-CG2 3.95Å; F1117-S1173 WeakPolarHBondContact CE2-OG 3.44Å; F1117-S1173 WeakPolarHBondContact CZ-OG 3.33Å |
| 1118 | R | 77.5 | Confident | 79.3 | Confident | 159 Ų | 159 | 37.2 Ų | 37.2 | 60% | 0.6 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -61.6 | -44.9 | 175.7 | 176.4 | -179.5 | 157.3 | 161.5 | -7.6 | 112.4 | E1081 H1116 M1120 R1121 H1122 | E1081-R1118 IonicContact OE1-NE 2.71Å; E1081-R1118 IonicContact OE1-NH2 3.82Å; E1081-R1118 PolarHBondContact OE1-NH2 3.25Å; H1116-R1118 PolarHBondContact O-N 3.47Å; R1118-M1120 VanDerWaalsContact C-N 3.26Å; R1118-M1120 PolarHBondContact O-N 3.38Å; R1118-R1121 PolarHBondContact O-N 2.92Å; R1118-H1122 PolarHBondContact O-N 2.99Å |
| 1119 | L | 81.5 | Confident | 79.1 | Confident | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.4 | -39.6 | 179.9 | -63 | -176.8 | 0 | 0 | 0 | 111.3 | E1077 F1080 E1081 H1116 R1121 H1122 L1123 | E1077-L1119 HydrophobicContact CB-CD1 4.44Å; E1077-L1119 HydrophobicContact CB-CD2 4.25Å; E1077-L1119 HydrophobicContact CG-CD1 3.88Å; E1077-L1119 HydrophobicContact CG-CD2 4.08Å; E1077-L1119 HydrophobicContact CG-CG 4.14Å; F1080-L1119 HydrophobicContact CB-CD1 3.9Å; F1080-L1119 HydrophobicContact CB-CD2 4.39Å; F1080-L1119 HydrophobicContact CD1-CB 3.75Å; F1080-L1119 HydrophobicContact CD1-CD1 4.11Å; F1080-L1119 HydrophobicContact CD1-CD2 3.95Å; F1080-L1119 HydrophobicContact CD1-CG 4.16Å; F1080-L1119 HydrophobicContact CD2-CD1 4.49Å; F1080-L1119 HydrophobicContact CE1-CB 3.71Å; F1080-L1119 WeakPolarHBondContact CE1-O 3.42Å; F1080-L1119 HydrophobicContact CG-CB 4.34Å; F1080-L1119 HydrophobicContact CG-CD1 3.95Å; F1080-L1119 HydrophobicContact CG-CD2 4.46Å; F1080-L1119 HydrophobicContact CG-CG 4.49Å; F1080-L1119 HydrophobicContact CZ-CB 4.32Å; E1081-L1119 HydrophobicContact CG-CD2 3.87Å; H1116-L1119 HydrophobicContact CB-CB 4.29Å; H1116-L1119 HydrophobicContact CB-CD1 3.71Å; H1116-L1119 HydrophobicContact CB-CG 4.04Å; H1116-L1119 WeakPolarHBondContact O-CB 3.42Å; H1116-L1119 PolarHBondContact O-N 3.32Å; L1119-R1121 VanDerWaalsContact C-N 3.29Å; L1119-R1121 PolarHBondContact O-N 2.85Å; L1119-H1122 PolarHBondContact O-N 3.47Å; L1119-L1123 WeakPolarHBondContact O-CB 3.25Å; L1119-L1123 PolarHBondContact O-N 2.86Å |
| 1120 | M | 79.5 | Confident | 79 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.4 | -35.7 | 176.1 | -71 | -57.8 | -55 | 0 | 0 | 112.4 | L1112 H1116 F1117 R1118 F1124 W1162 I1166 | L1112-M1120 HydrophobicContact CB-CG 4.02Å; L1112-M1120 HydrophobicContact CB-SD 3.74Å; L1112-M1120 HydrophobicContact CD1-SD 4.11Å; H1116-M1120 PolarHBondContact O-N 3.16Å; F1117-M1120 PolarHBondContact O-N 2.74Å; R1118-M1120 VanDerWaalsContact C-N 3.26Å; R1118-M1120 PolarHBondContact O-N 3.38Å; M1120-F1124 HydrophobicContact CE-CE2 4.31Å; M1120-F1124 WeakPolarHBondContact O-CD2 3.48Å; M1120-F1124 PolarHBondContact O-N 3.31Å; M1120-W1162 HydrophobicContact CE-CD2 4.31Å; M1120-W1162 HydrophobicContact CE-CE3 3.64Å; M1120-W1162 HydrophobicContact CE-CZ3 3.81Å; M1120-W1162 HydrophobicContact SD-CZ3 4.13Å; M1120-I1166 HydrophobicContact CE-CD1 3.33Å; M1120-I1166 HydrophobicContact CE-CG1 3.65Å |
| 1121 | R | 75.7 | Confident | 79.2 | Confident | 16 Ų | 16 | 31 Ų | 31 | 6% | 0.06 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -74 | -41.7 | 176.5 | -71.8 | 173.9 | 70.9 | -171 | 11.5 | 112.1 | F1117 R1118 L1119 L1123 F1124 S1125 V1175 E1178 P1181 | F1117-R1121 VanDerWaalsContact CE1-CD 3.47Å; F1117-R1121 HydrophobicContact CE1-CG 4.38Å; F1117-R1121 HydrophobicContact CZ-CG 4.42Å; F1117-R1121 PolarHBondContact O-N 3.41Å; R1118-R1121 PolarHBondContact O-N 2.92Å; L1119-R1121 VanDerWaalsContact C-N 3.29Å; L1119-R1121 PolarHBondContact O-N 2.85Å; R1121-L1123 VanDerWaalsContact C-N 3.27Å; R1121-L1123 PolarHBondContact O-N 3.27Å; R1121-F1124 PolarHBondContact O-N 3.23Å; R1121-F1124 VanDerWaalsContact O-N 3.14Å; R1121-S1125 PolarHBondContact O-N 3.46Å; R1121-V1175 VanDerWaalsContact CZ-O 3.3Å; R1121-V1175 PolarHBondContact NH1-O 3.14Å; R1121-V1175 PolarHBondContact NH2-O 3.04Å; R1121-E1178 PolarHBondContact NH2-O 3.32Å; R1121-P1181 HydrophobicContact CG-CG 4.35Å |
| 1122 | H | 81.3 | Confident | 79.1 | Confident | 42 Ų | 42 | 32.3 Ų | 32.3 | 19% | 0.194 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.7 | -42.1 | 175.7 | -167.7 | 55.4 | 0 | 0 | 0 | 111.2 | L1084 R1118 L1119 F1124 S1125 V1126 | L1084-H1122 HydrophobicContact CD1-CB 4.36Å; L1084-H1122 WeakPolarHBondContact CD1-CD2 3.3Å; R1118-H1122 PolarHBondContact O-N 2.99Å; L1119-H1122 PolarHBondContact O-N 3.47Å; H1122-F1124 PolarHBondContact O-N 3.09Å; H1122-S1125 WeakPolarHBondContact O-CB 3.39Å; H1122-S1125 PolarHBondContact O-N 3.35Å; H1122-S1125 VanDerWaalsContact O-N 3.12Å; H1122-V1126 VanDerWaalsContact O-CG2 3.32Å; H1122-V1126 WeakPolarHBondContact O-CG2 3.45Å; H1122-V1126 PolarHBondContact O-N 2.83Å |
| 1123 | L | 85.3 | Confident | 78.9 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -52.8 | -50.3 | 172.9 | 176.4 | 143.3 | 0 | 0 | 0 | 112.2 | F1080 L1084 L1102 L1119 R1121 V1126 Y1127 W1162 | F1080-L1123 HydrophobicContact CE1-CB 4.11Å; F1080-L1123 HydrophobicContact CE1-CD1 4.44Å; F1080-L1123 HydrophobicContact CE2-CD1 4.5Å; F1080-L1123 HydrophobicContact CZ-CB 4.07Å; F1080-L1123 HydrophobicContact CZ-CD1 3.67Å; L1084-L1123 HydrophobicContact CD1-CB 4.32Å; L1084-L1123 HydrophobicContact CD2-CB 4.5Å; L1102-L1123 HydrophobicContact CB-CD1 4.48Å; L1102-L1123 HydrophobicContact CD1-CD1 4.19Å; L1102-L1123 HydrophobicContact CD2-CD1 4.13Å; L1119-L1123 WeakPolarHBondContact O-CB 3.25Å; L1119-L1123 PolarHBondContact O-N 2.86Å; R1121-L1123 VanDerWaalsContact C-N 3.27Å; R1121-L1123 PolarHBondContact O-N 3.27Å; L1123-V1126 PolarHBondContact O-N 3.46Å; L1123-Y1127 HydrophobicContact CD1-CE2 4.12Å; L1123-Y1127 HydrophobicContact CD2-CD2 3.63Å; L1123-Y1127 HydrophobicContact CD2-CE2 3.73Å; L1123-Y1127 HydrophobicContact CG-CD2 3.74Å; L1123-Y1127 HydrophobicContact CG-CE2 3.71Å; L1123-Y1127 VanDerWaalsContact O-CD2 3.26Å; L1123-Y1127 WeakPolarHBondContact O-CD2 3.48Å; L1123-Y1127 PolarHBondContact O-N 3.43Å; L1123-W1162 HydrophobicContact CD1-CZ2 3.85Å; L1123-W1162 HydrophobicContact CD2-CD2 4.38Å; L1123-W1162 HydrophobicContact CD2-CG 4.15Å |
| 1124 | F | 80.8 | Confident | 79 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.6 | -41.1 | 178.3 | -82.6 | -104.9 | 0 | 0 | 0 | 111.4 | M1120 R1121 H1122 V1126 Y1127 N1128 L1159 W1162 L1163 I1166 P1181 V1185 | M1120-F1124 HydrophobicContact CE-CE2 4.31Å; M1120-F1124 WeakPolarHBondContact O-CD2 3.48Å; M1120-F1124 PolarHBondContact O-N 3.31Å; R1121-F1124 PolarHBondContact O-N 3.23Å; R1121-F1124 VanDerWaalsContact O-N 3.14Å; H1122-F1124 PolarHBondContact O-N 3.09Å; F1124-V1126 VanDerWaalsContact C-N 3.31Å; F1124-V1126 PolarHBondContact O-N 2.86Å; F1124-Y1127 PolarHBondContact O-N 3.11Å; F1124-N1128 WeakPolarHBondContact O-CB 3.39Å; F1124-N1128 PolarHBondContact O-N 3.39Å; F1124-N1128 PolarHBondContact O-ND2 3.39Å; F1124-L1159 HydrophobicContact CD1-CD2 3.61Å; F1124-L1159 HydrophobicContact CE1-CD2 3.74Å; F1124-L1159 HydrophobicContact CG-CD2 4.24Å; F1124-L1159 HydrophobicContact CZ-CD2 4.47Å; F1124-W1162 HydrophobicContact CE2-CB 4.06Å; F1124-W1162 HydrophobicContact CZ-CB 3.75Å; F1124-L1163 HydrophobicContact CE1-CD2 3.75Å; F1124-L1163 HydrophobicContact CE1-CG 3.84Å; F1124-L1163 HydrophobicContact CZ-CD2 4.06Å; F1124-L1163 HydrophobicContact CZ-CG 4.12Å; F1124-I1166 HydrophobicContact CE2-CD1 3.39Å; F1124-I1166 HydrophobicContact CZ-CD1 3.58Å; F1124-P1181 HydrophobicContact CB-CB 4.43Å; F1124-P1181 HydrophobicContact CD1-CB 3.68Å; F1124-P1181 HydrophobicContact CD2-CB 3.98Å; F1124-P1181 HydrophobicContact CD2-CG 4.38Å; F1124-P1181 HydrophobicContact CE1-CB 3.84Å; F1124-P1181 HydrophobicContact CE2-CB 4.12Å; F1124-P1181 HydrophobicContact CG-CB 3.75Å; F1124-P1181 HydrophobicContact CG-CG 4.43Å; F1124-P1181 HydrophobicContact CZ-CB 4.05Å; F1124-V1185 HydrophobicContact CD1-CG2 3.81Å; F1124-V1185 HydrophobicContact CE1-CG2 3.88Å |
| 1125 | S | 78.5 | Confident | 78.9 | Confident | 43 Ų | 43 | 33 Ų | 33 | 30% | 0.301 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -58.2 | -44.7 | 176.7 | -168.7 | 0 | 0 | 0 | 0 | 111.6 | R1121 H1122 N1128 A1129 | R1121-S1125 PolarHBondContact O-N 3.46Å; H1122-S1125 WeakPolarHBondContact O-CB 3.39Å; H1122-S1125 PolarHBondContact O-N 3.35Å; H1122-S1125 VanDerWaalsContact O-N 3.12Å; S1125-N1128 PolarHBondContact O-N 3.48Å; S1125-A1129 VanDerWaalsContact O-CB 3.29Å; S1125-A1129 WeakPolarHBondContact O-CB 3.27Å; S1125-A1129 PolarHBondContact O-N 3.27Å |
| 1126 | V | 83.3 | Confident | 78.6 | Confident | 20 Ų | 20 | 31.4 Ų | 31.4 | 12% | 0.121 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.4 | -46.7 | -179.3 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | L1084 F1087 H1122 L1123 F1124 N1128 A1129 A1130 | L1084-V1126 HydrophobicContact CB-CG1 4.48Å; L1084-V1126 HydrophobicContact CB-CG2 4.25Å; L1084-V1126 HydrophobicContact CD2-CB 4.12Å; L1084-V1126 HydrophobicContact CD2-CG1 4.01Å; L1084-V1126 HydrophobicContact CD2-CG2 4.45Å; F1087-V1126 HydrophobicContact CB-CG1 3.54Å; F1087-V1126 HydrophobicContact CD1-CG1 4.47Å; F1087-V1126 HydrophobicContact CD2-CG1 4.27Å; F1087-V1126 HydrophobicContact CG-CG1 3.84Å; H1122-V1126 VanDerWaalsContact O-CG2 3.32Å; H1122-V1126 WeakPolarHBondContact O-CG2 3.45Å; H1122-V1126 PolarHBondContact O-N 2.83Å; L1123-V1126 PolarHBondContact O-N 3.46Å; F1124-V1126 VanDerWaalsContact C-N 3.31Å; F1124-V1126 PolarHBondContact O-N 2.86Å; V1126-N1128 VanDerWaalsContact C-N 3.28Å; V1126-N1128 PolarHBondContact O-N 2.91Å; V1126-A1129 PolarHBondContact O-N 2.88Å; V1126-A1130 VanDerWaalsContact O-CB 3.28Å; V1126-A1130 WeakPolarHBondContact O-CB 3.44Å; V1126-A1130 PolarHBondContact O-N 2.93Å |
| 1127 | Y | 84 | Confident | 78.2 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57 | -42.6 | 175.1 | -90.4 | -67 | 0 | 0 | 0 | 112.1 | F1087 L1102 L1123 F1124 A1131 I1155 D1158 L1159 | F1087-Y1127 HydrophobicContact CE2-CD1 4.15Å; F1087-Y1127 HydrophobicContact CE2-CE1 4.06Å; F1087-Y1127 HydrophobicContact CZ-CD1 4.33Å; F1087-Y1127 HydrophobicContact CZ-CE1 4.49Å; L1102-Y1127 HydrophobicContact CD1-CE2 3.78Å; L1123-Y1127 HydrophobicContact CD1-CE2 4.12Å; L1123-Y1127 HydrophobicContact CD2-CD2 3.63Å; L1123-Y1127 HydrophobicContact CD2-CE2 3.73Å; L1123-Y1127 HydrophobicContact CG-CD2 3.74Å; L1123-Y1127 HydrophobicContact CG-CE2 3.71Å; L1123-Y1127 VanDerWaalsContact O-CD2 3.26Å; L1123-Y1127 WeakPolarHBondContact O-CD2 3.48Å; L1123-Y1127 PolarHBondContact O-N 3.43Å; F1124-Y1127 PolarHBondContact O-N 3.11Å; Y1127-A1131 VanDerWaalsContact O-CB 3.3Å; Y1127-A1131 WeakPolarHBondContact O-CB 3.32Å; Y1127-A1131 PolarHBondContact O-N 3.07Å; Y1127-I1155 HydrophobicContact CD1-CB 4.01Å; Y1127-I1155 HydrophobicContact CD1-CG1 3.87Å; Y1127-I1155 HydrophobicContact CD1-CG2 3.55Å; Y1127-I1155 HydrophobicContact CE1-CB 4.37Å; Y1127-I1155 HydrophobicContact CE1-CG1 4.13Å; Y1127-I1155 HydrophobicContact CE1-CG2 4.35Å; Y1127-I1155 HydrophobicContact CG-CG2 4.33Å; Y1127-D1158 HydrophobicContact CE1-CB 3.99Å; Y1127-D1158 WeakPolarHBondContact OH-CB 3.4Å; Y1127-D1158 PolarHBondContact OH-OD2 3.37Å; Y1127-L1159 HydrophobicContact CD2-CD2 4.24Å; Y1127-L1159 HydrophobicContact CG-CD2 4.12Å; Y1127-L1159 HydrophobicContact CG-CG 4.29Å |
| 1128 | N | 77.8 | Confident | 77.9 | Confident | 6 Ų | 6 | 40.8 Ų | 40.8 | 3% | 0.032 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.7 | -51.1 | 178.3 | -68.7 | -52.4 | 0 | 0 | 0 | 111.2 | F1124 S1125 V1126 A1130 A1131 E1132 S1184 L1188 | F1124-N1128 WeakPolarHBondContact O-CB 3.39Å; F1124-N1128 PolarHBondContact O-N 3.39Å; F1124-N1128 PolarHBondContact O-ND2 3.39Å; S1125-N1128 PolarHBondContact O-N 3.48Å; V1126-N1128 VanDerWaalsContact C-N 3.28Å; V1126-N1128 PolarHBondContact O-N 2.91Å; N1128-A1130 PolarHBondContact O-N 2.87Å; N1128-A1131 PolarHBondContact O-N 2.78Å; N1128-A1131 VanDerWaalsContact O-N 3.09Å; N1128-E1132 VanDerWaalsContact O-CG 3.26Å; N1128-E1132 WeakPolarHBondContact O-CG 3.41Å; N1128-E1132 PolarHBondContact O-N 2.81Å; N1128-S1184 VanDerWaalsContact CG-O 3.27Å; N1128-S1184 WeakPolarHBondContact ND2-CB 3.41Å; N1128-S1184 PolarHBondContact ND2-O 2.81Å; N1128-S1184 PolarHBondContact OD1-O 3.33Å; N1128-L1188 HydrophobicContact CB-CB 4.42Å; N1128-L1188 WeakPolarHBondContact OD1-CB 3.37Å; N1128-L1188 VanDerWaalsContact OD1-CD2 3.24Å; N1128-L1188 WeakPolarHBondContact OD1-CD2 3.37Å |
| 1129 | A | 80.7 | Confident | 77.2 | Confident | 40 Ų | 40 | 34.1 Ų | 34.1 | 33% | 0.331 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -54.5 | -39.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1125 V1126 E1132 Q1133 | S1125-A1129 VanDerWaalsContact O-CB 3.29Å; S1125-A1129 WeakPolarHBondContact O-CB 3.27Å; S1125-A1129 PolarHBondContact O-N 3.27Å; V1126-A1129 PolarHBondContact O-N 2.88Å; A1129-E1132 WeakPolarHBondContact O-CB 3.36Å; A1129-E1132 PolarHBondContact O-N 3.39Å; A1129-Q1133 VanDerWaalsContact O-CG 3.31Å; A1129-Q1133 WeakPolarHBondContact O-CG 3.36Å; A1129-Q1133 PolarHBondContact O-N 2.86Å |
| 1130 | A | 79.9 | Confident | 76 | Confident | 6 Ų | 6 | 40.2 Ų | 40.2 | 5% | 0.05 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -75.4 | -37.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F1087 V1126 N1128 E1132 Q1133 L1134 | F1087-A1130 HydrophobicContact CD1-CB 3.07Å; F1087-A1130 HydrophobicContact CE1-CB 2.99Å; F1087-A1130 HydrophobicContact CG-CB 4.25Å; F1087-A1130 HydrophobicContact CZ-CB 4.08Å; V1126-A1130 VanDerWaalsContact O-CB 3.28Å; V1126-A1130 WeakPolarHBondContact O-CB 3.44Å; V1126-A1130 PolarHBondContact O-N 2.93Å; N1128-A1130 PolarHBondContact O-N 2.87Å; A1130-E1132 VanDerWaalsContact C-N 3.27Å; A1130-E1132 PolarHBondContact O-N 3.36Å; A1130-Q1133 PolarHBondContact O-N 3.12Å; A1130-L1134 VanDerWaalsContact O-CG 3.3Å; A1130-L1134 WeakPolarHBondContact O-CG 3.44Å; A1130-L1134 PolarHBondContact O-N 3.08Å |
| 1131 | A | 77.9 | Confident | 75.5 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62 | -37.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y1127 N1128 L1134 L1135 L1152 I1155 L1188 | Y1127-A1131 VanDerWaalsContact O-CB 3.3Å; Y1127-A1131 WeakPolarHBondContact O-CB 3.32Å; Y1127-A1131 PolarHBondContact O-N 3.07Å; N1128-A1131 PolarHBondContact O-N 2.78Å; N1128-A1131 VanDerWaalsContact O-N 3.09Å; A1131-L1134 PolarHBondContact O-N 2.8Å; A1131-L1135 WeakPolarHBondContact O-CB 3.37Å; A1131-L1135 VanDerWaalsContact O-CG 3.29Å; A1131-L1135 WeakPolarHBondContact O-CG 3.34Å; A1131-L1135 PolarHBondContact O-N 3.14Å; A1131-L1152 HydrophobicContact CB-CD1 3.56Å; A1131-I1155 HydrophobicContact CB-CD1 4.41Å; A1131-I1155 HydrophobicContact CB-CG2 4.09Å; A1131-L1188 HydrophobicContact CB-CD1 3.41Å; A1131-L1188 VanDerWaalsContact CB-CD1 3.41Å; A1131-L1188 HydrophobicContact CB-CD2 3.8Å; A1131-L1188 HydrophobicContact CB-CG 4.26Å |
| 1132 | E | 76.8 | Confident | 75.2 | Confident | 74 Ų | 74 | 51.2 Ų | 51.2 | 35% | 0.346 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63 | -43 | 172.7 | -66.4 | -177 | -174.1 | 0 | 0 | 112.4 | N1128 A1129 A1130 L1135 A1136 L1191 | N1128-E1132 VanDerWaalsContact O-CG 3.26Å; N1128-E1132 WeakPolarHBondContact O-CG 3.41Å; N1128-E1132 PolarHBondContact O-N 2.81Å; A1129-E1132 WeakPolarHBondContact O-CB 3.36Å; A1129-E1132 PolarHBondContact O-N 3.39Å; A1130-E1132 VanDerWaalsContact C-N 3.27Å; A1130-E1132 PolarHBondContact O-N 3.36Å; E1132-L1135 PolarHBondContact O-N 3.44Å; E1132-A1136 WeakPolarHBondContact O-CB 3.38Å; E1132-A1136 PolarHBondContact O-N 3.47Å; E1132-L1191 HydrophobicContact CB-CD1 4.43Å; E1132-L1191 HydrophobicContact CG-CD1 3.33Å; E1132-L1191 WeakPolarHBondContact OE1-CD1 3.33Å |
| 1133 | Q | 76.9 | Confident | 74.7 | Confident | 81 Ų | 81 | 53.9 Ų | 53.9 | 38% | 0.379 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.7 | -44.9 | 176.5 | -74.6 | 173.6 | 2.8 | 0 | 0 | 112.1 | N1090 A1129 A1130 L1135 A1136 K1137 | N1090-Q1133 PolarHBondContact OD1-OE1 2.87Å; A1129-Q1133 VanDerWaalsContact O-CG 3.31Å; A1129-Q1133 WeakPolarHBondContact O-CG 3.36Å; A1129-Q1133 PolarHBondContact O-N 2.86Å; A1130-Q1133 PolarHBondContact O-N 3.12Å; Q1133-L1135 VanDerWaalsContact C-N 3.28Å; Q1133-L1135 PolarHBondContact O-N 3.32Å; Q1133-A1136 PolarHBondContact O-N 2.96Å; Q1133-K1137 PolarHBondContact O-N 3.26Å |
| 1134 | L | 76.5 | Confident | 74 | Confident | 22 Ų | 22 | 56.2 Ų | 56.2 | 12% | 0.115 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.6 | -39.9 | 175.8 | -71 | 170.3 | 0 | 0 | 0 | 111.4 | A1130 A1131 A1136 M1148 L1151 I1155 | A1130-L1134 VanDerWaalsContact O-CG 3.3Å; A1130-L1134 WeakPolarHBondContact O-CG 3.44Å; A1130-L1134 PolarHBondContact O-N 3.08Å; A1131-L1134 PolarHBondContact O-N 2.8Å; L1134-A1136 VanDerWaalsContact C-N 3.28Å; L1134-A1136 PolarHBondContact O-N 3.25Å; L1134-M1148 HydrophobicContact CD2-CB 4.37Å; L1134-M1148 HydrophobicContact CD2-CE 4.27Å; L1134-M1148 HydrophobicContact CD2-CG 4.07Å; L1134-M1148 WeakPolarHBondContact O-CE 3.43Å; L1134-L1151 HydrophobicContact CD1-CB 4.35Å; L1134-L1151 HydrophobicContact CD1-CD2 3.64Å; L1134-L1151 HydrophobicContact CD1-CG 3.79Å; L1134-L1151 HydrophobicContact CD2-CD2 4.04Å; L1134-L1151 HydrophobicContact CG-CD2 4.44Å; L1134-I1155 HydrophobicContact CD1-CD1 3.71Å |
| 1135 | L | 72 | Confident | 73.5 | Confident | 27 Ų | 27 | 59.3 Ų | 59.3 | 14% | 0.141 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.3 | -25.9 | 173.6 | -78.4 | 178.3 | 0 | 0 | 0 | 113.9 | A1131 E1132 Q1133 L1152 L1191 L1192 R1195 | A1131-L1135 WeakPolarHBondContact O-CB 3.37Å; A1131-L1135 VanDerWaalsContact O-CG 3.29Å; A1131-L1135 WeakPolarHBondContact O-CG 3.34Å; A1131-L1135 PolarHBondContact O-N 3.14Å; E1132-L1135 PolarHBondContact O-N 3.44Å; Q1133-L1135 VanDerWaalsContact C-N 3.28Å; Q1133-L1135 PolarHBondContact O-N 3.32Å; L1135-L1152 HydrophobicContact CD2-CD2 3.9Å; L1135-L1152 HydrophobicContact CG-CD2 4.28Å; L1135-L1191 HydrophobicContact CD1-CB 4.27Å; L1135-L1192 HydrophobicContact CD1-CB 4.47Å; L1135-L1192 HydrophobicContact CD1-CD2 3.38Å; L1135-L1192 HydrophobicContact CD1-CG 3.95Å; L1135-L1192 HydrophobicContact CD2-CD2 3.79Å; L1135-L1192 HydrophobicContact CG-CD2 3.83Å; L1135-R1195 HydrophobicContact CB-CG 4.41Å; L1135-R1195 HydrophobicContact CD2-CB 4.49Å; L1135-R1195 HydrophobicContact CD2-CG 4.47Å; L1135-R1195 PolarHBondContact O-NE 3.4Å; L1135-R1195 VanDerWaalsContact O-NE 3.17Å |
| 1136 | A | 71.4 | Confident | 73.2 | Confident | 58 Ų | 58 | 62.9 Ų | 62.9 | 48% | 0.479 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -83.2 | -24.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E1132 Q1133 L1134 E1138 | E1132-A1136 WeakPolarHBondContact O-CB 3.38Å; E1132-A1136 PolarHBondContact O-N 3.47Å; Q1133-A1136 PolarHBondContact O-N 2.96Å; L1134-A1136 VanDerWaalsContact C-N 3.28Å; L1134-A1136 PolarHBondContact O-N 3.25Å; A1136-E1138 PolarHBondContact O-N 2.78Å |
| 1137 | K | 70.4 | Confident | 72.8 | Confident | 86 Ų | 86 | 67.1 Ų | 67.1 | 37% | 0.374 | 35% | 0.349 | S | S | . | . | trans | -79 | 117.8 | -173.6 | -169.7 | -176.3 | -166.8 | -163.5 | 0 | 111.1 | Q1133 S1139 E1144 M1148 | Q1133-K1137 PolarHBondContact O-N 3.26Å; K1137-S1139 PolarHBondContact O-N 2.77Å; K1137-E1144 WeakPolarHBondContact CE-OE1 3.27Å; K1137-E1144 IonicContact NZ-OE1 2.79Å; K1137-E1144 PolarHBondContact NZ-OE1 2.72Å; K1137-M1148 HydrophobicContact CB-CE 3.67Å; K1137-M1148 HydrophobicContact CD-CE 4.02Å; K1137-M1148 HydrophobicContact CD-SD 4.13Å; K1137-M1148 HydrophobicContact CG-CE 4.12Å | ||
| 1138 | E | 67.7 | Low | 72.5 | Confident | 175 Ų | 175 | 67.7 Ų | 67.7 | 82% | 0.818 | 35% | 0.352 | S | S | * | . | trans | -83.1 | 98.6 | 171.6 | -68.9 | -179.8 | 178.4 | 0 | 0 | 109 | A1136 | A1136-E1138 PolarHBondContact O-N 2.78Š| ||
| 1139 | S | 62.9 | Low | 72.3 | Confident | 19 Ų | 19 | 69 Ų | 69 | 13% | 0.133 | 36% | 0.36 | C | S | . | . | trans | -82 | 139 | 178.4 | 44.1 | 0 | 0 | 0 | 0 | 112.2 | K1137 K1145 | K1137-S1139 PolarHBondContact O-N 2.77Å; S1139-K1145 WeakPolarHBondContact O-CE 3.35Å; S1139-K1145 WeakPolarHBondContact OG-CG 3.49Å | ||
| 1140 | V | 56.6 | Low | 72.1 | Confident | 130 Ų | 130 | 68.4 Ų | 68.4 | 79% | 0.788 | 36% | 0.356 | S | S | * | . | trans | -87.8 | -31.4 | -178.4 | -175.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1141 | N | 70.2 | Confident | 72.2 | Confident | 93 Ų | 93 | 68.4 Ų | 68.4 | 50% | 0.497 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -100.2 | 137.6 | -171.9 | -65.9 | -11.9 | 0 | 0 | 0 | 112 | T1143 E1144 K1145 | N1141-T1143 VanDerWaalsContact C-N 3.29Å; N1141-T1143 PolarHBondContact O-N 2.82Å; N1141-E1144 HydrophobicContact CB-CB 4.15Å; N1141-E1144 PolarHBondContact O-N 2.96Å; N1141-K1145 WeakPolarHBondContact O-CG 3.37Å; N1141-K1145 PolarHBondContact O-N 3.05Å |
| 1142 | E | 68.9 | Low | 72.2 | Confident | 154 Ų | 154 | 69 Ų | 69 | 72% | 0.72 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61.5 | -35.2 | 176.5 | -77.7 | -157.3 | 156.6 | 0 | 0 | 113.3 | K1145 K1146 | E1142-K1145 WeakPolarHBondContact O-CB 3.39Å; E1142-K1145 PolarHBondContact O-N 3.27Å; E1142-K1146 PolarHBondContact O-N 3.33Å |
| 1143 | T | 69.7 | Low | 72.2 | Confident | 97 Ų | 97 | 66.3 Ų | 66.3 | 60% | 0.595 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63.5 | -48.2 | 176.9 | 49.8 | 0 | 0 | 0 | 0 | 111.2 | N1141 K1145 K1146 E1147 | N1141-T1143 VanDerWaalsContact C-N 3.29Å; N1141-T1143 PolarHBondContact O-N 2.82Å; T1143-K1145 VanDerWaalsContact C-N 3.32Å; T1143-K1145 PolarHBondContact O-N 2.75Å; T1143-K1146 WeakPolarHBondContact O-CB 3.14Å; T1143-K1146 PolarHBondContact O-N 2.9Å; T1143-K1146 VanDerWaalsContact O-N 3.14Å; T1143-E1147 PolarHBondContact O-N 3.43Å |
| 1144 | E | 71.1 | Confident | 72.4 | Confident | 50 Ų | 50 | 63 Ų | 63 | 23% | 0.234 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 176.4 | -169.5 | -178 | -171.5 | 0 | 0 | 111.1 | K1137 N1141 K1146 E1147 M1148 | K1137-E1144 WeakPolarHBondContact CE-OE1 3.27Å; K1137-E1144 IonicContact NZ-OE1 2.79Å; K1137-E1144 PolarHBondContact NZ-OE1 2.72Å; N1141-E1144 HydrophobicContact CB-CB 4.15Å; N1141-E1144 PolarHBondContact O-N 2.96Å; E1144-K1146 VanDerWaalsContact C-N 3.35Å; E1144-K1146 PolarHBondContact O-N 2.92Å; E1144-E1147 PolarHBondContact O-N 3.3Å; E1144-M1148 HydrophobicContact CG-CG 4.41Å; E1144-M1148 HydrophobicContact CG-SD 4.12Å; E1144-M1148 WeakPolarHBondContact O-CB 3.28Å; E1144-M1148 WeakPolarHBondContact O-CG 3.26Å; E1144-M1148 PolarHBondContact O-N 2.87Å |
| 1145 | K | 70 | Confident | 72.7 | Confident | 64 Ų | 64 | 62 Ų | 62 | 28% | 0.278 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -56.4 | -48.6 | 172 | -75.7 | 176.5 | -176.5 | 179.8 | 0 | 111.6 | S1139 N1141 E1142 T1143 E1147 M1148 V1149 F1210 | S1139-K1145 WeakPolarHBondContact O-CE 3.35Å; S1139-K1145 WeakPolarHBondContact OG-CG 3.49Å; N1141-K1145 WeakPolarHBondContact O-CG 3.37Å; N1141-K1145 PolarHBondContact O-N 3.05Å; E1142-K1145 WeakPolarHBondContact O-CB 3.39Å; E1142-K1145 PolarHBondContact O-N 3.27Å; T1143-K1145 VanDerWaalsContact C-N 3.32Å; T1143-K1145 PolarHBondContact O-N 2.75Å; K1145-E1147 PolarHBondContact O-N 3.48Å; K1145-M1148 PolarHBondContact O-N 3.45Å; K1145-V1149 VanDerWaalsContact O-CG2 3.28Å; K1145-V1149 WeakPolarHBondContact O-CG2 3.36Å; K1145-V1149 PolarHBondContact O-N 3.37Å; K1145-F1210 HydrophobicContact CD-CE2 4.03Å; K1145-F1210 HydrophobicContact CD-CZ 4.06Å |
| 1146 | K | 72 | Confident | 72.9 | Confident | 119 Ų | 119 | 60.7 Ų | 60.7 | 52% | 0.517 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | -179.9 | -169.7 | -178.2 | 176.9 | -171.2 | 0 | 111.8 | E1142 T1143 E1144 A1150 | E1142-K1146 PolarHBondContact O-N 3.33Å; T1143-K1146 WeakPolarHBondContact O-CB 3.14Å; T1143-K1146 PolarHBondContact O-N 2.9Å; T1143-K1146 VanDerWaalsContact O-N 3.14Å; E1144-K1146 VanDerWaalsContact C-N 3.35Å; E1144-K1146 PolarHBondContact O-N 2.92Å; K1146-A1150 WeakPolarHBondContact O-CB 3.41Å; K1146-A1150 PolarHBondContact O-N 3Å |
| 1147 | E | 76.4 | Confident | 73.2 | Confident | 108 Ų | 108 | 59.4 Ų | 59.4 | 51% | 0.505 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.1 | -46.5 | 176 | -73.7 | 177.2 | -168.8 | 0 | 0 | 112.5 | C1092 T1143 E1144 K1145 V1149 A1150 L1151 | C1092-E1147 HydrophobicContact CB-CB 4.34Å; T1143-E1147 PolarHBondContact O-N 3.43Å; E1144-E1147 PolarHBondContact O-N 3.3Å; K1145-E1147 PolarHBondContact O-N 3.48Å; E1147-V1149 VanDerWaalsContact C-N 3.31Å; E1147-V1149 PolarHBondContact O-N 3.37Å; E1147-A1150 PolarHBondContact O-N 3.49Å; E1147-L1151 WeakPolarHBondContact O-CB 3.17Å; E1147-L1151 PolarHBondContact O-N 2.97Å |
| 1148 | M | 77.3 | Confident | 73.8 | Confident | 13 Ų | 13 | 55.4 Ų | 55.4 | 6% | 0.064 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.5 | -43.2 | 177.7 | -73.4 | 174.1 | 66.8 | 0 | 0 | 111.5 | C1092 L1134 K1137 E1144 K1145 L1151 L1152 | C1092-M1148 VanDerWaalsContact SG-CG 3.58Å; L1134-M1148 HydrophobicContact CD2-CB 4.37Å; L1134-M1148 HydrophobicContact CD2-CE 4.27Å; L1134-M1148 HydrophobicContact CD2-CG 4.07Å; L1134-M1148 WeakPolarHBondContact O-CE 3.43Å; K1137-M1148 HydrophobicContact CB-CE 3.67Å; K1137-M1148 HydrophobicContact CD-CE 4.02Å; K1137-M1148 HydrophobicContact CD-SD 4.13Å; K1137-M1148 HydrophobicContact CG-CE 4.12Å; E1144-M1148 HydrophobicContact CG-CG 4.41Å; E1144-M1148 HydrophobicContact CG-SD 4.12Å; E1144-M1148 WeakPolarHBondContact O-CB 3.28Å; E1144-M1148 WeakPolarHBondContact O-CG 3.26Å; E1144-M1148 PolarHBondContact O-N 2.87Å; K1145-M1148 PolarHBondContact O-N 3.45Å; M1148-L1151 PolarHBondContact O-N 2.83Å; M1148-L1152 WeakPolarHBondContact O-CB 3.46Å; M1148-L1152 PolarHBondContact O-N 2.7Å |
| 1149 | V | 73.7 | Confident | 74.2 | Confident | 32 Ų | 32 | 47 Ų | 47 | 19% | 0.194 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.4 | -46.2 | 176.9 | 173 | 0 | 0 | 0 | 0 | 111 | K1145 E1147 L1151 L1152 E1153 Y1213 | K1145-V1149 VanDerWaalsContact O-CG2 3.28Å; K1145-V1149 WeakPolarHBondContact O-CG2 3.36Å; K1145-V1149 PolarHBondContact O-N 3.37Å; E1147-V1149 VanDerWaalsContact C-N 3.31Å; E1147-V1149 PolarHBondContact O-N 3.37Å; V1149-L1151 PolarHBondContact O-N 2.91Å; V1149-L1152 PolarHBondContact O-N 3.43Å; V1149-L1152 VanDerWaalsContact O-N 3.15Å; V1149-E1153 WeakPolarHBondContact O-CB 3.39Å; V1149-E1153 PolarHBondContact O-N 2.9Å; V1149-Y1213 HydrophobicContact CB-CD1 4.43Å; V1149-Y1213 HydrophobicContact CG1-CD1 3.6Å; V1149-Y1213 HydrophobicContact CG1-CE1 4.16Å; V1149-Y1213 HydrophobicContact CG1-CG 3.94Å; V1149-Y1213 HydrophobicContact CG2-CD1 4.48Å; V1149-Y1213 HydrophobicContact CG2-CD2 4.2Å; V1149-Y1213 HydrophobicContact CG2-CG 4.16Å |
| 1150 | A | 75.7 | Confident | 74.7 | Confident | 29 Ų | 29 | 46.3 Ų | 46.3 | 24% | 0.24 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.2 | -32.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | K1146 E1147 R1154 | K1146-A1150 WeakPolarHBondContact O-CB 3.41Å; K1146-A1150 PolarHBondContact O-N 3Å; E1147-A1150 PolarHBondContact O-N 3.49Å; A1150-R1154 WeakPolarHBondContact O-CB 3.34Å; A1150-R1154 PolarHBondContact O-N 3.29Å; A1150-R1154 VanDerWaalsContact O-N 3.16Å |
| 1151 | L | 82.3 | Confident | 75.6 | Confident | 6 Ų | 6 | 40.3 Ų | 40.3 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -73.1 | -42.7 | 173.4 | 179 | 61.1 | 0 | 0 | 0 | 111.7 | C1092 S1095 L1134 E1147 M1148 V1149 R1154 I1155 | C1092-L1151 HydrophobicContact CB-CD2 4.04Å; S1095-L1151 VanDerWaalsContact CB-CD2 3.48Å; L1134-L1151 HydrophobicContact CD1-CB 4.35Å; L1134-L1151 HydrophobicContact CD1-CD2 3.64Å; L1134-L1151 HydrophobicContact CD1-CG 3.79Å; L1134-L1151 HydrophobicContact CD2-CD2 4.04Å; L1134-L1151 HydrophobicContact CG-CD2 4.44Å; E1147-L1151 WeakPolarHBondContact O-CB 3.17Å; E1147-L1151 PolarHBondContact O-N 2.97Å; M1148-L1151 PolarHBondContact O-N 2.83Å; V1149-L1151 PolarHBondContact O-N 2.91Å; L1151-R1154 WeakPolarHBondContact O-CB 3.36Å; L1151-R1154 PolarHBondContact O-N 3.01Å; L1151-R1154 VanDerWaalsContact O-N 3.17Å; L1151-I1155 HydrophobicContact CD1-CG1 4.49Å; L1151-I1155 HydrophobicContact CG-CD1 4.2Å; L1151-I1155 VanDerWaalsContact O-CG1 3.31Å; L1151-I1155 WeakPolarHBondContact O-CG1 3.36Å; L1151-I1155 PolarHBondContact O-N 3.35Å |
| 1152 | L | 78 | Confident | 76.1 | Confident | 11 Ų | 11 | 35.9 Ų | 35.9 | 6% | 0.058 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.8 | -41.1 | 177.9 | -169.4 | 59.6 | 0 | 0 | 0 | 111.9 | A1131 L1135 M1148 V1149 R1154 I1155 C1156 L1192 L1217 | A1131-L1152 HydrophobicContact CB-CD1 3.56Å; L1135-L1152 HydrophobicContact CD2-CD2 3.9Å; L1135-L1152 HydrophobicContact CG-CD2 4.28Å; M1148-L1152 WeakPolarHBondContact O-CB 3.46Å; M1148-L1152 PolarHBondContact O-N 2.7Å; V1149-L1152 PolarHBondContact O-N 3.43Å; V1149-L1152 VanDerWaalsContact O-N 3.15Å; L1152-R1154 VanDerWaalsContact C-N 3.31Å; L1152-R1154 PolarHBondContact O-N 2.89Å; L1152-I1155 PolarHBondContact O-N 2.93Å; L1152-C1156 PolarHBondContact O-N 3.17Å; L1152-C1156 PolarHBondContact O-SG 3.08Å; L1152-L1192 HydrophobicContact CD1-CD2 4.29Å; L1152-L1192 HydrophobicContact CD2-CD2 4.07Å; L1152-L1192 HydrophobicContact CG-CD2 4.43Å; L1152-L1217 HydrophobicContact CB-CD1 4.28Å; L1152-L1217 HydrophobicContact CD2-CD1 3.73Å; L1152-L1217 HydrophobicContact CD2-CD2 3.66Å; L1152-L1217 HydrophobicContact CD2-CG 4.23Å; L1152-L1217 HydrophobicContact CG-CD1 3.85Å; L1152-L1217 HydrophobicContact CG-CD2 4.21Å; L1152-L1217 HydrophobicContact CG-CG 4.39Å |
| 1153 | E | 75.7 | Confident | 76.2 | Confident | 19 Ų | 19 | 28.7 Ų | 28.7 | 9% | 0.089 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.8 | -45.4 | 171.3 | -172.3 | -161.1 | 164.5 | 0 | 0 | 110.6 | V1149 C1156 N1157 V1216 N1638 H1640 | V1149-E1153 WeakPolarHBondContact O-CB 3.39Å; V1149-E1153 PolarHBondContact O-N 2.9Å; E1153-C1156 PolarHBondContact O-N 2.97Å; E1153-N1157 WeakPolarHBondContact O-CB 3.31Å; E1153-N1157 VanDerWaalsContact O-CG 3.27Å; E1153-N1157 PolarHBondContact O-N 3.31Å; E1153-N1157 PolarHBondContact O-ND2 3.45Å; E1153-V1216 HydrophobicContact CG-CG1 3.91Å; E1153-N1638 PolarHBondContact OE1-ND2 3.38Å; E1153-H1640 IonicContact OE1-CE1 2.67Å; E1153-H1640 PolarHBondContact OE1-CE1 2.57Å; E1153-H1640 VanDerWaalsContact OE1-CE1 3.23Å; E1153-H1640 IonicContact OE1-NE2 3.21Å; E1153-H1640 PolarHBondContact OE1-NE2 2.9Å |
| 1154 | R | 82.4 | Confident | 76.2 | Confident | 11 Ų | 11 | 25.3 Ų | 25.3 | 4% | 0.042 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.9 | -49.2 | 176.7 | 168.1 | 66.6 | 86.4 | 168.7 | 19.4 | 111.5 | C1099 A1150 L1151 L1152 C1156 N1157 D1158 N1624 R1627 | C1099-R1154 HydrophobicContact CB-CG 3.67Å; A1150-R1154 WeakPolarHBondContact O-CB 3.34Å; A1150-R1154 PolarHBondContact O-N 3.29Å; A1150-R1154 VanDerWaalsContact O-N 3.16Å; L1151-R1154 WeakPolarHBondContact O-CB 3.36Å; L1151-R1154 PolarHBondContact O-N 3.01Å; L1151-R1154 VanDerWaalsContact O-N 3.17Å; L1152-R1154 VanDerWaalsContact C-N 3.31Å; L1152-R1154 PolarHBondContact O-N 2.89Å; R1154-C1156 VanDerWaalsContact C-N 3.32Å; R1154-C1156 PolarHBondContact O-N 3.23Å; R1154-N1157 PolarHBondContact O-N 3.37Å; R1154-D1158 PolarHBondContact O-N 3.36Å; R1154-N1624 PolarHBondContact NH2-OD1 2.74Å; R1154-R1627 VanDerWaalsContact NH1-CZ 3.28Å |
| 1155 | I | 83.2 | Confident | 76.2 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.2 | -48.6 | 178 | -70.8 | 167.8 | 0 | 0 | 0 | 110.5 | F1087 Y1127 A1131 L1134 L1151 L1152 N1157 D1158 L1159 | F1087-I1155 HydrophobicContact CE1-CD1 3.92Å; F1087-I1155 HydrophobicContact CZ-CD1 3.6Å; F1087-I1155 HydrophobicContact CZ-CG1 3.73Å; Y1127-I1155 HydrophobicContact CD1-CB 4.01Å; Y1127-I1155 HydrophobicContact CD1-CG1 3.87Å; Y1127-I1155 HydrophobicContact CD1-CG2 3.55Å; Y1127-I1155 HydrophobicContact CE1-CB 4.37Å; Y1127-I1155 HydrophobicContact CE1-CG1 4.13Å; Y1127-I1155 HydrophobicContact CE1-CG2 4.35Å; Y1127-I1155 HydrophobicContact CG-CG2 4.33Å; A1131-I1155 HydrophobicContact CB-CD1 4.41Å; A1131-I1155 HydrophobicContact CB-CG2 4.09Å; L1134-I1155 HydrophobicContact CD1-CD1 3.71Å; L1151-I1155 HydrophobicContact CD1-CG1 4.49Å; L1151-I1155 HydrophobicContact CG-CD1 4.2Å; L1151-I1155 VanDerWaalsContact O-CG1 3.31Å; L1151-I1155 WeakPolarHBondContact O-CG1 3.36Å; L1151-I1155 PolarHBondContact O-N 3.35Å; L1152-I1155 PolarHBondContact O-N 2.93Å; I1155-N1157 VanDerWaalsContact C-N 3.35Å; I1155-N1157 PolarHBondContact O-N 2.86Å; I1155-D1158 PolarHBondContact O-N 3.34Å; I1155-L1159 HydrophobicContact CG2-CD1 3.97Å; I1155-L1159 HydrophobicContact CG2-CG 4.45Å; I1155-L1159 WeakPolarHBondContact O-CB 3.3Å; I1155-L1159 WeakPolarHBondContact O-CG 3.33Å; I1155-L1159 PolarHBondContact O-N 3.02Å |
| 1156 | C | 76 | Confident | 76.1 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.3 | -42.9 | -178.6 | -64.7 | 0 | 0 | 0 | 0 | 111.4 | L1152 E1153 R1154 L1159 V1160 S1220 I1224 | L1152-C1156 PolarHBondContact O-N 3.17Å; L1152-C1156 PolarHBondContact O-SG 3.08Å; E1153-C1156 PolarHBondContact O-N 2.97Å; R1154-C1156 VanDerWaalsContact C-N 3.32Å; R1154-C1156 PolarHBondContact O-N 3.23Å; C1156-L1159 PolarHBondContact O-N 2.89Å; C1156-V1160 WeakPolarHBondContact O-CG2 3.02Å; C1156-V1160 PolarHBondContact O-N 2.95Å; C1156-S1220 VanDerWaalsContact CB-CB 3.5Å; C1156-I1224 HydrophobicContact CB-CD1 4.12Å |
| 1157 | N | 76.8 | Confident | 75.7 | Confident | 32 Ų | 32 | 20.3 Ų | 20.3 | 17% | 0.171 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.1 | -41.7 | 177.4 | -71 | -20.5 | 0 | 0 | 0 | 112.3 | E1153 R1154 I1155 V1160 E1161 S1220 L1523 | E1153-N1157 WeakPolarHBondContact O-CB 3.31Å; E1153-N1157 VanDerWaalsContact O-CG 3.27Å; E1153-N1157 PolarHBondContact O-N 3.31Å; E1153-N1157 PolarHBondContact O-ND2 3.45Å; R1154-N1157 PolarHBondContact O-N 3.37Å; I1155-N1157 VanDerWaalsContact C-N 3.35Å; I1155-N1157 PolarHBondContact O-N 2.86Å; N1157-V1160 WeakPolarHBondContact O-CB 3.36Å; N1157-V1160 PolarHBondContact O-N 2.63Å; N1157-E1161 PolarHBondContact O-N 3.13Å; N1157-S1220 PolarHBondContact OD1-OG 3.36Å; N1157-S1220 VanDerWaalsContact OD1-OG 3.14Å; N1157-L1523 HydrophobicContact CB-CD1 3.89Å |
| 1158 | D | 83.2 | Confident | 74.8 | Confident | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.4 | -42.9 | 174.9 | -73 | -14.3 | 0 | 0 | 0 | 111 | C1099 N1103 Y1127 R1154 I1155 V1160 E1161 W1162 | C1099-D1158 WeakPolarHBondContact CB-OD2 3.37Å; N1103-D1158 PolarHBondContact ND2-OD1 3.16Å; Y1127-D1158 HydrophobicContact CE1-CB 3.99Å; Y1127-D1158 WeakPolarHBondContact OH-CB 3.4Å; Y1127-D1158 PolarHBondContact OH-OD2 3.37Å; R1154-D1158 PolarHBondContact O-N 3.36Å; I1155-D1158 PolarHBondContact O-N 3.34Å; D1158-V1160 PolarHBondContact O-N 3.01Å; D1158-E1161 PolarHBondContact O-N 3.04Å; D1158-W1162 WeakPolarHBondContact O-CB 3.32Å; D1158-W1162 PolarHBondContact O-N 3.09Å |
| 1159 | L | 77.3 | Confident | 73.8 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.8 | -43.1 | 175.5 | -76.4 | 173 | 0 | 0 | 0 | 111.9 | F1124 Y1127 I1155 C1156 E1161 L1163 V1185 L1188 | F1124-L1159 HydrophobicContact CD1-CD2 3.61Å; F1124-L1159 HydrophobicContact CE1-CD2 3.74Å; F1124-L1159 HydrophobicContact CG-CD2 4.24Å; F1124-L1159 HydrophobicContact CZ-CD2 4.47Å; Y1127-L1159 HydrophobicContact CD2-CD2 4.24Å; Y1127-L1159 HydrophobicContact CG-CD2 4.12Å; Y1127-L1159 HydrophobicContact CG-CG 4.29Å; I1155-L1159 HydrophobicContact CG2-CD1 3.97Å; I1155-L1159 HydrophobicContact CG2-CG 4.45Å; I1155-L1159 WeakPolarHBondContact O-CB 3.3Å; I1155-L1159 WeakPolarHBondContact O-CG 3.33Å; I1155-L1159 PolarHBondContact O-N 3.02Å; C1156-L1159 PolarHBondContact O-N 2.89Å; L1159-E1161 VanDerWaalsContact C-N 3.31Å; L1159-E1161 PolarHBondContact O-N 3.09Å; L1159-L1163 VanDerWaalsContact O-CB 3.3Å; L1159-L1163 WeakPolarHBondContact O-CB 3.49Å; L1159-L1163 WeakPolarHBondContact O-CG 3.26Å; L1159-L1163 PolarHBondContact O-N 3.16Å; L1159-V1185 HydrophobicContact CD1-CG2 4.43Å; L1159-V1185 HydrophobicContact CD2-CG2 4.23Å; L1159-L1188 HydrophobicContact CD1-CD2 3.71Å |
| 1160 | V | 72.3 | Confident | 73.2 | Confident | 3 Ų | 3 | 20.9 Ų | 20.9 | 2% | 0.018 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -55.9 | -49.4 | 172.8 | 172.5 | 0 | 0 | 0 | 0 | 110.2 | C1156 N1157 D1158 L1163 L1164 A1223 I1224 | C1156-V1160 WeakPolarHBondContact O-CG2 3.02Å; C1156-V1160 PolarHBondContact O-N 2.95Å; N1157-V1160 WeakPolarHBondContact O-CB 3.36Å; N1157-V1160 PolarHBondContact O-N 2.63Å; D1158-V1160 PolarHBondContact O-N 3.01Å; V1160-L1163 CarbonylContact O-C 3.58Å; V1160-L1163 WeakPolarHBondContact O-CB 3.37Å; V1160-L1163 PolarHBondContact O-N 2.87Å; V1160-L1164 HydrophobicContact CG1-CD1 3.76Å; V1160-L1164 HydrophobicContact CG1-CG 4.3Å; V1160-L1164 VanDerWaalsContact O-CG 3.24Å; V1160-L1164 WeakPolarHBondContact O-CG 3.31Å; V1160-L1164 PolarHBondContact O-N 3.15Å; V1160-A1223 HydrophobicContact CG2-CB 4.35Å; V1160-I1224 HydrophobicContact CB-CG1 4.41Å; V1160-I1224 HydrophobicContact CG2-CB 4.23Å; V1160-I1224 HydrophobicContact CG2-CD1 4.2Å; V1160-I1224 HydrophobicContact CG2-CG1 3.21Å |
| 1161 | E | 75.5 | Confident | 72.5 | Confident | 5 Ų | 5 | 19.7 Ų | 19.7 | 2% | 0.023 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67.7 | -42.9 | -173.9 | -163.2 | 159.8 | -166.5 | 0 | 0 | 111.9 | F1106 N1157 D1158 L1159 L1163 L1164 L1165 T1521 L1523 | F1106-E1161 HydrophobicContact CD2-CG 4.07Å; F1106-E1161 HydrophobicContact CE1-CB 4.32Å; F1106-E1161 HydrophobicContact CE1-CG 4.26Å; F1106-E1161 HydrophobicContact CE2-CB 4.08Å; F1106-E1161 HydrophobicContact CE2-CG 3.48Å; F1106-E1161 VanDerWaalsContact CE2-CG 3.48Å; F1106-E1161 WeakPolarHBondContact CE2-OE2 3.39Å; F1106-E1161 HydrophobicContact CZ-CB 3.69Å; F1106-E1161 HydrophobicContact CZ-CG 3.6Å; N1157-E1161 PolarHBondContact O-N 3.13Å; D1158-E1161 PolarHBondContact O-N 3.04Å; L1159-E1161 VanDerWaalsContact C-N 3.31Å; L1159-E1161 PolarHBondContact O-N 3.09Å; E1161-L1163 PolarHBondContact O-N 3.2Å; E1161-L1164 PolarHBondContact O-N 2.68Å; E1161-L1164 VanDerWaalsContact O-N 3.13Å; E1161-L1165 HydrophobicContact CG-CD1 4.25Å; E1161-L1165 VanDerWaalsContact O-CG 3.3Å; E1161-L1165 WeakPolarHBondContact O-CG 3.49Å; E1161-L1165 PolarHBondContact O-N 3.5Å; E1161-T1521 WeakPolarHBondContact OE1-CB 3.34Å; E1161-T1521 VanDerWaalsContact OE1-CG2 3.3Å; E1161-T1521 WeakPolarHBondContact OE1-CG2 3.32Å; E1161-T1521 PolarHBondContact OE1-OG1 3.08Å; E1161-L1523 HydrophobicContact CB-CD1 4.44Å |
| 1162 | W | 80 | Confident | 71.2 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57.9 | -47.2 | 169.9 | -79.7 | 119.1 | 0 | 0 | 0 | 111.8 | L1102 L1105 F1106 C1109 L1112 M1120 L1123 F1124 D1158 L1164 L1165 I1166 | L1102-W1162 WeakPolarHBondContact O-CZ2 3.44Å; L1105-W1162 HydrophobicContact CB-CH2 4.13Å; L1105-W1162 HydrophobicContact CB-CZ2 4.45Å; F1106-W1162 AromaticContact CD1-CD2 3.81Å; F1106-W1162 HydrophobicContact CD1-CD2 3.81Å; F1106-W1162 AromaticContact CD1-CE2 3.67Å; F1106-W1162 AromaticContact CD1-CE3 3.94Å; F1106-W1162 HydrophobicContact CD1-CE3 3.94Å; F1106-W1162 HydrophobicContact CD1-CG 4.49Å; F1106-W1162 AromaticContact CD1-CH2 3.87Å; F1106-W1162 HydrophobicContact CD1-CH2 3.87Å; F1106-W1162 AromaticContact CD1-CZ2 3.71Å; F1106-W1162 HydrophobicContact CD1-CZ2 3.71Å; F1106-W1162 AromaticContact CD1-CZ3 3.99Å; F1106-W1162 HydrophobicContact CD1-CZ3 3.99Å; F1106-W1162 AromaticContact CE1-CD1 3.77Å; F1106-W1162 AromaticContact CE1-CD2 3.57Å; F1106-W1162 HydrophobicContact CE1-CD2 3.57Å; F1106-W1162 AromaticContact CE1-CE2 3.38Å; F1106-W1162 HydrophobicContact CE1-CE3 4.18Å; F1106-W1162 AromaticContact CE1-CG 3.84Å; F1106-W1162 HydrophobicContact CE1-CG 3.84Å; F1106-W1162 HydrophobicContact CE1-CH2 4.43Å; F1106-W1162 AromaticContact CE1-CZ2 3.84Å; F1106-W1162 HydrophobicContact CE1-CZ2 3.84Å; F1106-W1162 AromaticContact CE1-NE1 3.49Å; C1109-W1162 HydrophobicContact CB-CE3 4.35Å; C1109-W1162 HydrophobicContact CB-CZ3 3.75Å; L1112-W1162 HydrophobicContact CD1-CH2 4.2Å; M1120-W1162 HydrophobicContact CE-CD2 4.31Å; M1120-W1162 HydrophobicContact CE-CE3 3.64Å; M1120-W1162 HydrophobicContact CE-CZ3 3.81Å; M1120-W1162 HydrophobicContact SD-CZ3 4.13Å; L1123-W1162 HydrophobicContact CD1-CZ2 3.85Å; L1123-W1162 HydrophobicContact CD2-CD2 4.38Å; L1123-W1162 HydrophobicContact CD2-CG 4.15Å; F1124-W1162 HydrophobicContact CE2-CB 4.06Å; F1124-W1162 HydrophobicContact CZ-CB 3.75Å; D1158-W1162 WeakPolarHBondContact O-CB 3.32Å; D1158-W1162 PolarHBondContact O-N 3.09Å; W1162-L1164 PolarHBondContact O-N 3Å; W1162-L1165 PolarHBondContact O-N 3.3Å; W1162-L1165 VanDerWaalsContact O-N 3.11Å; W1162-I1166 HydrophobicContact CB-CD1 4.14Å; W1162-I1166 HydrophobicContact CE3-CG1 4.46Å; W1162-I1166 WeakPolarHBondContact O-CB 3.35Å; W1162-I1166 VanDerWaalsContact O-CD1 3.3Å; W1162-I1166 WeakPolarHBondContact O-CD1 3.2Å; W1162-I1166 WeakPolarHBondContact O-CG1 3.35Å; W1162-I1166 PolarHBondContact O-N 3.48Å |
| 1163 | L | 72.1 | Confident | 70 | Confident | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.2 | -27.5 | 176.6 | -75.7 | 170.7 | 0 | 0 | 0 | 113.1 | F1124 L1159 V1160 E1161 V1171 V1185 I1224 K1232 | F1124-L1163 HydrophobicContact CE1-CD2 3.75Å; F1124-L1163 HydrophobicContact CE1-CG 3.84Å; F1124-L1163 HydrophobicContact CZ-CD2 4.06Å; F1124-L1163 HydrophobicContact CZ-CG 4.12Å; L1159-L1163 VanDerWaalsContact O-CB 3.3Å; L1159-L1163 WeakPolarHBondContact O-CB 3.49Å; L1159-L1163 WeakPolarHBondContact O-CG 3.26Å; L1159-L1163 PolarHBondContact O-N 3.16Å; V1160-L1163 CarbonylContact O-C 3.58Å; V1160-L1163 WeakPolarHBondContact O-CB 3.37Å; V1160-L1163 PolarHBondContact O-N 2.87Å; E1161-L1163 PolarHBondContact O-N 3.2Å; L1163-V1171 HydrophobicContact CD2-CG1 4.29Å; L1163-V1171 HydrophobicContact CD2-CG2 4.42Å; L1163-V1185 HydrophobicContact CD1-CB 4.5Å; L1163-V1185 HydrophobicContact CD1-CG1 4.08Å; L1163-V1185 HydrophobicContact CD1-CG2 3.95Å; L1163-I1224 HydrophobicContact CD1-CG2 3.81Å; L1163-K1232 WeakPolarHBondContact O-CE 3.36Å; L1163-K1232 PolarHBondContact O-NZ 3.32Å |
| 1164 | L | 69.1 | Low | 68.7 | Low | 26 Ų | 26 | 23.8 Ų | 23.8 | 14% | 0.136 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -79.4 | -28.5 | 175.7 | -72.4 | 174.5 | 0 | 0 | 0 | 112.4 | V1160 E1161 W1162 C1227 Q1231 P1522 | V1160-L1164 HydrophobicContact CG1-CD1 3.76Å; V1160-L1164 HydrophobicContact CG1-CG 4.3Å; V1160-L1164 VanDerWaalsContact O-CG 3.24Å; V1160-L1164 WeakPolarHBondContact O-CG 3.31Å; V1160-L1164 PolarHBondContact O-N 3.15Å; E1161-L1164 PolarHBondContact O-N 2.68Å; E1161-L1164 VanDerWaalsContact O-N 3.13Å; W1162-L1164 PolarHBondContact O-N 3Å; L1164-C1227 HydrophobicContact CD2-CB 4.12Å; L1164-C1227 WeakPolarHBondContact CD2-SG 3.46Å; L1164-Q1231 HydrophobicContact CD2-CG 4.46Å; L1164-P1522 HydrophobicContact CB-CG 4.14Å; L1164-P1522 HydrophobicContact CD1-CB 3.38Å; L1164-P1522 HydrophobicContact CD1-CG 3.48Å; L1164-P1522 VanDerWaalsContact CD1-CG 3.48Å; L1164-P1522 HydrophobicContact CG-CG 4.44Å |
| 1165 | L | 71 | Confident | 67.1 | Low | 73 Ų | 73 | 27.9 Ų | 27.9 | 38% | 0.382 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -90.6 | -34.9 | -175.6 | -69.3 | 170.7 | 0 | 0 | 0 | 114.2 | F1106 C1109 E1161 W1162 | F1106-L1165 HydrophobicContact CB-CD1 3.61Å; F1106-L1165 HydrophobicContact CD1-CD1 3.71Å; F1106-L1165 HydrophobicContact CD2-CD1 4.21Å; F1106-L1165 HydrophobicContact CE1-CD1 4.41Å; F1106-L1165 HydrophobicContact CG-CD1 3.59Å; C1109-L1165 HydrophobicContact CB-CB 4.21Å; E1161-L1165 HydrophobicContact CG-CD1 4.25Å; E1161-L1165 VanDerWaalsContact O-CG 3.3Å; E1161-L1165 WeakPolarHBondContact O-CG 3.49Å; E1161-L1165 PolarHBondContact O-N 3.5Å; W1162-L1165 PolarHBondContact O-N 3.3Å; W1162-L1165 VanDerWaalsContact O-N 3.11Å |
| 1166 | I | 67.9 | Low | 65.8 | Low | 5 Ų | 5 | 30 Ų | 30 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -64.1 | 150.7 | -173.7 | -70.3 | 164.2 | 0 | 0 | 0 | 111.3 | C1109 M1120 F1124 W1162 V1170 V1171 K1232 | C1109-I1166 VanDerWaalsContact SG-CG1 3.53Å; M1120-I1166 HydrophobicContact CE-CD1 3.33Å; M1120-I1166 HydrophobicContact CE-CG1 3.65Å; F1124-I1166 HydrophobicContact CE2-CD1 3.39Å; F1124-I1166 HydrophobicContact CZ-CD1 3.58Å; W1162-I1166 HydrophobicContact CB-CD1 4.14Å; W1162-I1166 HydrophobicContact CE3-CG1 4.46Å; W1162-I1166 WeakPolarHBondContact O-CB 3.35Å; W1162-I1166 VanDerWaalsContact O-CD1 3.3Å; W1162-I1166 WeakPolarHBondContact O-CD1 3.2Å; W1162-I1166 WeakPolarHBondContact O-CG1 3.35Å; W1162-I1166 PolarHBondContact O-N 3.48Å; I1166-V1170 HydrophobicContact CG2-CB 3.56Å; I1166-V1170 HydrophobicContact CG2-CG1 3.42Å; I1166-V1170 VanDerWaalsContact CG2-CG1 3.42Å; I1166-V1171 HydrophobicContact CB-CG2 4.31Å; I1166-V1171 HydrophobicContact CG2-CG2 3.85Å; I1166-K1232 VanDerWaalsContact C-NZ 3.31Å; I1166-K1232 WeakPolarHBondContact O-CE 3.46Å; I1166-K1232 PolarHBondContact O-NZ 2.99Å |
| 1167 | P | 64.3 | Low | 64.9 | Low | 51 Ų | 51 | 37.9 Ų | 37.9 | 33% | 0.331 | 22% | 0.22 | S | C | . | . | trans | -64.2 | 147.3 | 170.8 | -25 | 36 | 0 | 0 | 0 | 113.7 | S1113 L1169 V1170 | S1113-P1167 WeakPolarHBondContact OG-CD 3.35Å; S1113-P1167 WeakPolarHBondContact OG-CG 3.39Å; P1167-L1169 VanDerWaalsContact C-N 3.3Å; P1167-L1169 PolarHBondContact O-N 3.05Å; P1167-V1170 HydrophobicContact CB-CG2 4.4Å; P1167-V1170 PolarHBondContact O-N 3.02Å; P1167-V1170 VanDerWaalsContact O-N 3.13Å | ||
| 1168 | G | 57.2 | Low | 64.1 | Low | 23 Ų | 23 | 39.4 Ų | 39.4 | 24% | 0.237 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -50.5 | -44 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | V1170 V1171 A1236 | G1168-V1170 VanDerWaalsContact C-N 3.28Å; G1168-V1170 PolarHBondContact O-N 3.45Å; G1168-V1171 PolarHBondContact O-N 3.26Å; G1168-A1236 WeakPolarHBondContact O-CB 3.36Å |
| 1169 | L | 56.3 | Low | 63.1 | Low | 130 Ų | 130 | 41.6 Ų | 41.6 | 68% | 0.681 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -59.3 | -38.3 | -178.7 | -172.5 | 68.6 | 0 | 0 | 0 | 112.7 | P1167 V1171 S1173 | P1167-L1169 VanDerWaalsContact C-N 3.3Å; P1167-L1169 PolarHBondContact O-N 3.05Å; L1169-V1171 VanDerWaalsContact C-N 3.33Å; L1169-V1171 PolarHBondContact O-N 3.43Å; L1169-S1173 WeakPolarHBondContact O-CB 3.41Å; L1169-S1173 PolarHBondContact O-N 2.87Å; L1169-S1173 PolarHBondContact O-OG 3.44Å |
| 1170 | V | 60.4 | Low | 62.4 | Low | 12 Ų | 12 | 42 Ų | 42 | 7% | 0.073 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -73.3 | -27.8 | -174.7 | 169.9 | 0 | 0 | 0 | 0 | 112.1 | F1117 I1166 P1167 G1168 S1173 | F1117-V1170 HydrophobicContact CD2-CB 4.36Å; F1117-V1170 HydrophobicContact CD2-CG1 3.85Å; F1117-V1170 HydrophobicContact CD2-CG2 3.95Å; F1117-V1170 HydrophobicContact CE2-CB 4Å; F1117-V1170 HydrophobicContact CE2-CG1 3.61Å; F1117-V1170 HydrophobicContact CE2-CG2 3.95Å; I1166-V1170 HydrophobicContact CG2-CB 3.56Å; I1166-V1170 HydrophobicContact CG2-CG1 3.42Å; I1166-V1170 VanDerWaalsContact CG2-CG1 3.42Å; P1167-V1170 HydrophobicContact CB-CG2 4.4Å; P1167-V1170 PolarHBondContact O-N 3.02Å; P1167-V1170 VanDerWaalsContact O-N 3.13Å; G1168-V1170 VanDerWaalsContact C-N 3.28Å; G1168-V1170 PolarHBondContact O-N 3.45Å; V1170-S1173 PolarHBondContact O-OG 3.31Å |
| 1171 | V | 61.9 | Low | 62.2 | Low | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.5 | -35.8 | -177.5 | 171.4 | 0 | 0 | 0 | 0 | 112.4 | L1163 I1166 G1168 L1169 L1182 K1232 | L1163-V1171 HydrophobicContact CD2-CG1 4.29Å; L1163-V1171 HydrophobicContact CD2-CG2 4.42Å; I1166-V1171 HydrophobicContact CB-CG2 4.31Å; I1166-V1171 HydrophobicContact CG2-CG2 3.85Å; G1168-V1171 PolarHBondContact O-N 3.26Å; L1169-V1171 VanDerWaalsContact C-N 3.33Å; L1169-V1171 PolarHBondContact O-N 3.43Å; V1171-L1182 HydrophobicContact CG1-CB 3.73Å; V1171-L1182 VanDerWaalsContact O-CB 3.32Å; V1171-L1182 WeakPolarHBondContact O-CB 3.48Å; V1171-L1182 PolarHBondContact O-N 3.41Å; V1171-K1232 HydrophobicContact CB-CB 4.33Å; V1171-K1232 HydrophobicContact CB-CD 4.22Å; V1171-K1232 HydrophobicContact CB-CG 4.4Å; V1171-K1232 HydrophobicContact CG1-CB 4.03Å; V1171-K1232 HydrophobicContact CG1-CG 4.28Å; V1171-K1232 HydrophobicContact CG2-CD 3.64Å; V1171-K1232 HydrophobicContact CG2-CG 4.05Å |
| 1172 | G | 54 | Low | 61.7 | Low | 19 Ų | 19 | 42.3 Ų | 42.3 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -102.9 | -15.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y1174 | G1172-Y1174 PolarHBondContact O-N 3.2Å |
| 1173 | S | 52.5 | Low | 61 | Low | 24 Ų | 24 | 43.9 Ų | 43.9 | 17% | 0.168 | 25% | 0.253 | C | S | . | . | trans | -66.5 | 126.9 | -174.3 | 51.3 | 0 | 0 | 0 | 0 | 112.7 | F1117 L1169 V1170 | F1117-S1173 WeakPolarHBondContact CE2-OG 3.44Å; F1117-S1173 WeakPolarHBondContact CZ-OG 3.33Å; L1169-S1173 WeakPolarHBondContact O-CB 3.41Å; L1169-S1173 PolarHBondContact O-N 2.87Å; L1169-S1173 PolarHBondContact O-OG 3.44Å; V1170-S1173 PolarHBondContact O-OG 3.31Å | ||
| 1174 | Y | 49.7 | Very low | 60.8 | Low | 79 Ų | 79 | 44.1 Ų | 44.1 | 31% | 0.31 | 26% | 0.255 | S | S | . | . | trans | -103.1 | 121.7 | 174.5 | -166.3 | -92.6 | 0 | 0 | 0 | 110 | G1172 G1176 | G1172-Y1174 PolarHBondContact O-N 3.2Å; Y1174-G1176 WeakPolarHBondContact CE1-O 3.47Å; Y1174-G1176 PolarHBondContact OH-O 3.23Å | ||
| 1175 | V | 48.2 | Very low | 60.8 | Low | 97 Ų | 97 | 43 Ų | 43 | 59% | 0.588 | 25% | 0.249 | S | C | * | . | trans | -140.9 | 113 | 173.7 | -173.5 | 0 | 0 | 0 | 0 | 108.9 | R1121 | R1121-V1175 VanDerWaalsContact CZ-O 3.3Å; R1121-V1175 PolarHBondContact NH1-O 3.14Å; R1121-V1175 PolarHBondContact NH2-O 3.04Å | ||
| 1176 | G | 56 | Low | 60.6 | Low | 46 Ų | 46 | 39.6 Ų | 39.6 | 47% | 0.474 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 81.2 | -149.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y1174 | Y1174-G1176 WeakPolarHBondContact CE1-O 3.47Å; Y1174-G1176 PolarHBondContact OH-O 3.23Å |
| 1177 | Q | 56.4 | Low | 60.5 | Low | 165 Ų | 165 | 44.7 Ų | 44.7 | 77% | 0.771 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -88 | -17.3 | -170.7 | -70.8 | -173.5 | -17.8 | 0 | 0 | 115.7 | ||
| 1178 | E | 60.4 | Low | 60.8 | Low | 63 Ų | 63 | 42.3 Ų | 42.3 | 29% | 0.294 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -81.2 | 144.1 | -176.8 | -68.1 | 174.9 | 176.5 | 0 | 0 | 111.8 | R1121 | R1121-E1178 PolarHBondContact NH2-O 3.32Š|
| 1179 | P | 62.1 | Low | 61.2 | Low | 47 Ų | 47 | 41.3 Ų | 41.3 | 31% | 0.305 | 22% | 0.224 | S | C | . | . | P | Polyproline II helix | trans | -63.3 | 153.6 | 172.6 | 23.3 | -30.1 | 0 | 0 | 0 | 111.9 | L1183 S1184 | P1179-L1183 HydrophobicContact CB-CB 4.14Å; P1179-L1183 HydrophobicContact CB-CD2 3.78Å; P1179-L1183 HydrophobicContact CB-CG 3.97Å; P1179-S1184 WeakPolarHBondContact CB-OG 3.45Å; P1179-S1184 VanDerWaalsContact CG-OG 3.31Å; P1179-S1184 WeakPolarHBondContact CG-OG 3.37Å |
| 1180 | S | 63.2 | Low | 61.6 | Low | 8 Ų | 8 | 36.1 Ų | 36.1 | 6% | 0.056 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -68 | 152.5 | 171.6 | 63.8 | 0 | 0 | 0 | 0 | 110.1 | L1182 L1183 S1184 | S1180-L1182 PolarHBondContact O-N 3.3Å; S1180-L1182 VanDerWaalsContact O-N 3.07Å; S1180-L1183 WeakPolarHBondContact O-CA 3.21Å; S1180-L1183 PolarHBondContact O-N 3.41Å; S1180-L1183 WeakPolarHBondContact OG-CB 3.34Å; S1180-L1183 PolarHBondContact OG-N 3.36Å; S1180-S1184 PolarHBondContact O-N 3.31Å; S1180-S1184 PolarHBondContact O-OG 3.21Å |
| 1181 | P | 67.1 | Low | 61.8 | Low | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -50.2 | -38.1 | 178.4 | -30.3 | 36.7 | 0 | 0 | 0 | 113.5 | R1121 F1124 V1185 | R1121-P1181 HydrophobicContact CG-CG 4.35Å; F1124-P1181 HydrophobicContact CB-CB 4.43Å; F1124-P1181 HydrophobicContact CD1-CB 3.68Å; F1124-P1181 HydrophobicContact CD2-CB 3.98Å; F1124-P1181 HydrophobicContact CD2-CG 4.38Å; F1124-P1181 HydrophobicContact CE1-CB 3.84Å; F1124-P1181 HydrophobicContact CE2-CB 4.12Å; F1124-P1181 HydrophobicContact CG-CB 3.75Å; F1124-P1181 HydrophobicContact CG-CG 4.43Å; F1124-P1181 HydrophobicContact CZ-CB 4.05Å; P1181-V1185 WeakPolarHBondContact O-CB 3.47Å; P1181-V1185 WeakPolarHBondContact O-CG2 3.48Å; P1181-V1185 PolarHBondContact O-N 3.17Å |
| 1182 | L | 65.6 | Low | 61.9 | Low | 14 Ų | 14 | 37.5 Ų | 37.5 | 7% | 0.073 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.9 | -49.5 | 173.3 | 177.2 | 60.3 | 0 | 0 | 0 | 112.6 | V1171 S1180 V1185 L1186 C1228 I1233 | V1171-L1182 HydrophobicContact CG1-CB 3.73Å; V1171-L1182 VanDerWaalsContact O-CB 3.32Å; V1171-L1182 WeakPolarHBondContact O-CB 3.48Å; V1171-L1182 PolarHBondContact O-N 3.41Å; S1180-L1182 PolarHBondContact O-N 3.3Å; S1180-L1182 VanDerWaalsContact O-N 3.07Å; L1182-V1185 WeakPolarHBondContact O-CB 3.48Å; L1182-V1185 PolarHBondContact O-N 3.27Å; L1182-L1186 HydrophobicContact CD1-CD1 4.11Å; L1182-L1186 HydrophobicContact CD1-CG 4.2Å; L1182-L1186 HydrophobicContact CG-CD1 4.05Å; L1182-L1186 VanDerWaalsContact O-CG 3.3Å; L1182-L1186 WeakPolarHBondContact O-CG 3.43Å; L1182-L1186 PolarHBondContact O-N 3.22Å; L1182-C1228 HydrophobicContact CD1-CB 3.46Å; L1182-C1228 VanDerWaalsContact CD1-CB 3.46Å; L1182-C1228 WeakPolarHBondContact CD1-SG 3.37Å; L1182-I1233 HydrophobicContact CD1-CD1 4.37Å; L1182-I1233 HydrophobicContact CD2-CD1 3.74Å; L1182-I1233 HydrophobicContact CD2-CG1 3.8Å |
| 1183 | L | 65.7 | Low | 62.1 | Low | 33 Ų | 33 | 37.4 Ų | 37.4 | 17% | 0.173 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64 | -42.7 | -178 | 178.6 | 60 | 0 | 0 | 0 | 111.4 | P1179 S1180 V1185 L1186 R1187 I1357 | P1179-L1183 HydrophobicContact CB-CB 4.14Å; P1179-L1183 HydrophobicContact CB-CD2 3.78Å; P1179-L1183 HydrophobicContact CB-CG 3.97Å; S1180-L1183 WeakPolarHBondContact O-CA 3.21Å; S1180-L1183 PolarHBondContact O-N 3.41Å; S1180-L1183 WeakPolarHBondContact OG-CB 3.34Å; S1180-L1183 PolarHBondContact OG-N 3.36Å; L1183-V1185 VanDerWaalsContact C-N 3.28Å; L1183-V1185 PolarHBondContact O-N 3.19Å; L1183-L1186 PolarHBondContact O-N 2.96Å; L1183-R1187 WeakPolarHBondContact O-CB 3.13Å; L1183-R1187 PolarHBondContact O-N 3.38Å; L1183-I1357 HydrophobicContact CD1-CG1 4.43Å; L1183-I1357 HydrophobicContact CD1-CG2 3.56Å |
| 1184 | S | 69 | Low | 62.3 | Low | 7 Ų | 7 | 42.9 Ų | 42.9 | 5% | 0.049 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.5 | -42.6 | 178.6 | -41.4 | 0 | 0 | 0 | 0 | 111 | N1128 P1179 S1180 R1187 L1188 | N1128-S1184 VanDerWaalsContact CG-O 3.27Å; N1128-S1184 WeakPolarHBondContact ND2-CB 3.41Å; N1128-S1184 PolarHBondContact ND2-O 2.81Å; N1128-S1184 PolarHBondContact OD1-O 3.33Å; P1179-S1184 WeakPolarHBondContact CB-OG 3.45Å; P1179-S1184 VanDerWaalsContact CG-OG 3.31Å; P1179-S1184 WeakPolarHBondContact CG-OG 3.37Å; S1180-S1184 PolarHBondContact O-N 3.31Å; S1180-S1184 PolarHBondContact O-OG 3.21Å; S1184-R1187 WeakPolarHBondContact O-CB 3.38Å; S1184-R1187 PolarHBondContact O-N 3.31Å; S1184-L1188 PolarHBondContact O-N 3.4Å |
| 1185 | V | 68.2 | Low | 62.7 | Low | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.018 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.3 | -43.8 | 174.7 | 153 | 0 | 0 | 0 | 0 | 112.8 | F1124 L1159 L1163 P1181 L1182 L1183 R1187 L1188 A1189 I1224 | F1124-V1185 HydrophobicContact CD1-CG2 3.81Å; F1124-V1185 HydrophobicContact CE1-CG2 3.88Å; L1159-V1185 HydrophobicContact CD1-CG2 4.43Å; L1159-V1185 HydrophobicContact CD2-CG2 4.23Å; L1163-V1185 HydrophobicContact CD1-CB 4.5Å; L1163-V1185 HydrophobicContact CD1-CG1 4.08Å; L1163-V1185 HydrophobicContact CD1-CG2 3.95Å; P1181-V1185 WeakPolarHBondContact O-CB 3.47Å; P1181-V1185 WeakPolarHBondContact O-CG2 3.48Å; P1181-V1185 PolarHBondContact O-N 3.17Å; L1182-V1185 WeakPolarHBondContact O-CB 3.48Å; L1182-V1185 PolarHBondContact O-N 3.27Å; L1183-V1185 VanDerWaalsContact C-N 3.28Å; L1183-V1185 PolarHBondContact O-N 3.19Å; V1185-R1187 PolarHBondContact O-N 3.28Å; V1185-L1188 PolarHBondContact O-N 2.99Å; V1185-A1189 WeakPolarHBondContact O-CB 3.35Å; V1185-A1189 PolarHBondContact O-N 3.2Å; V1185-I1224 HydrophobicContact CB-CG2 4.36Å; V1185-I1224 HydrophobicContact CG1-CB 4.49Å; V1185-I1224 HydrophobicContact CG1-CG2 3.02Å |
| 1186 | L | 65.8 | Low | 63 | Low | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.5 | -33.6 | 176.6 | -70.7 | 174.3 | 0 | 0 | 0 | 111.3 | L1182 L1183 A1189 E1190 L1225 L1353 I1357 L1360 | L1182-L1186 HydrophobicContact CD1-CD1 4.11Å; L1182-L1186 HydrophobicContact CD1-CG 4.2Å; L1182-L1186 HydrophobicContact CG-CD1 4.05Å; L1182-L1186 VanDerWaalsContact O-CG 3.3Å; L1182-L1186 WeakPolarHBondContact O-CG 3.43Å; L1182-L1186 PolarHBondContact O-N 3.22Å; L1183-L1186 PolarHBondContact O-N 2.96Å; L1186-A1189 WeakPolarHBondContact O-CB 3.42Å; L1186-A1189 PolarHBondContact O-N 2.85Å; L1186-E1190 PolarHBondContact O-N 3.43Å; L1186-L1225 HydrophobicContact CD2-CD2 3.43Å; L1186-L1225 VanDerWaalsContact CD2-CD2 3.43Å; L1186-L1353 WeakPolarHBondContact O-CD2 3.46Å; L1186-I1357 HydrophobicContact CB-CG1 4.4Å; L1186-L1360 HydrophobicContact CD1-CD1 3.63Å |
| 1187 | R | 67 | Low | 62.6 | Low | 111 Ų | 111 | 45.4 Ų | 45.4 | 42% | 0.419 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -69 | -44 | 175.4 | -176 | 57.1 | 173.3 | -169.4 | -1.3 | 112.1 | L1183 S1184 V1185 A1189 E1190 L1191 | L1183-R1187 WeakPolarHBondContact O-CB 3.13Å; L1183-R1187 PolarHBondContact O-N 3.38Å; S1184-R1187 WeakPolarHBondContact O-CB 3.38Å; S1184-R1187 PolarHBondContact O-N 3.31Å; V1185-R1187 PolarHBondContact O-N 3.28Å; R1187-A1189 PolarHBondContact O-N 3.21Å; R1187-E1190 WeakPolarHBondContact CD-OE2 3.34Å; R1187-E1190 IonicContact CZ-OE2 2.89Å; R1187-E1190 IonicContact NE-OE2 2.83Å; R1187-E1190 IonicContact NH1-OE1 2.73Å; R1187-E1190 PolarHBondContact NH1-OE1 3.18Å; R1187-E1190 IonicContact NH1-OE2 3.93Å; R1187-E1190 PolarHBondContact NH1-OE2 3.02Å; R1187-E1190 WeakPolarHBondContact O-CB 3.35Å; R1187-E1190 PolarHBondContact O-N 3Å; R1187-E1190 VanDerWaalsContact O-N 3.14Å; R1187-L1191 HydrophobicContact CG-CD1 4.41Å; R1187-L1191 PolarHBondContact O-N 2.95Å; R1187-L1191 VanDerWaalsContact O-N 3.08Å |
| 1188 | L | 69.5 | Low | 61.8 | Low | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.4 | -41.7 | 171.3 | 173.1 | 60.4 | 0 | 0 | 0 | 110.6 | N1128 A1131 L1159 S1184 V1185 E1190 L1191 L1192 | N1128-L1188 HydrophobicContact CB-CB 4.42Å; N1128-L1188 WeakPolarHBondContact OD1-CB 3.37Å; N1128-L1188 VanDerWaalsContact OD1-CD2 3.24Å; N1128-L1188 WeakPolarHBondContact OD1-CD2 3.37Å; A1131-L1188 HydrophobicContact CB-CD1 3.41Å; A1131-L1188 VanDerWaalsContact CB-CD1 3.41Å; A1131-L1188 HydrophobicContact CB-CD2 3.8Å; A1131-L1188 HydrophobicContact CB-CG 4.26Å; L1159-L1188 HydrophobicContact CD1-CD2 3.71Å; S1184-L1188 PolarHBondContact O-N 3.4Å; V1185-L1188 PolarHBondContact O-N 2.99Å; L1188-E1190 PolarHBondContact O-N 3.5Å; L1188-L1191 PolarHBondContact O-N 3.17Å; L1188-L1191 VanDerWaalsContact O-N 3.09Å; L1188-L1192 HydrophobicContact CD1-CD1 4.05Å; L1188-L1192 HydrophobicContact CD1-CD2 4.16Å; L1188-L1192 HydrophobicContact CD1-CG 3.87Å; L1188-L1192 HydrophobicContact CD2-CD1 4.5Å; L1188-L1192 HydrophobicContact CG-CD1 3.86Å; L1188-L1192 HydrophobicContact CG-CG 4.2Å; L1188-L1192 VanDerWaalsContact O-CG 3.26Å; L1188-L1192 WeakPolarHBondContact O-CG 3.49Å; L1188-L1192 PolarHBondContact O-N 3.05Å |
| 1189 | A | 65.9 | Low | 61 | Low | 3 Ų | 3 | 41.7 Ų | 41.7 | 3% | 0.025 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.9 | -40.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1185 L1186 R1187 M1193 L1221 | V1185-A1189 WeakPolarHBondContact O-CB 3.35Å; V1185-A1189 PolarHBondContact O-N 3.2Å; L1186-A1189 WeakPolarHBondContact O-CB 3.42Å; L1186-A1189 PolarHBondContact O-N 2.85Å; R1187-A1189 PolarHBondContact O-N 3.21Å; A1189-M1193 WeakPolarHBondContact O-CG 3.36Å; A1189-M1193 PolarHBondContact O-N 3.36Å; A1189-L1221 HydrophobicContact CB-CD2 3.23Å |
| 1190 | E | 64.2 | Low | 59.7 | Low | 20 Ų | 20 | 48.2 Ų | 48.2 | 9% | 0.093 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59 | -46.2 | 173.2 | -158.5 | -174 | 165.8 | 0 | 0 | 113.3 | L1186 R1187 L1188 M1193 Y1194 L1353 N1354 | L1186-E1190 PolarHBondContact O-N 3.43Å; R1187-E1190 WeakPolarHBondContact CD-OE2 3.34Å; R1187-E1190 IonicContact CZ-OE2 2.89Å; R1187-E1190 IonicContact NE-OE2 2.83Å; R1187-E1190 IonicContact NH1-OE1 2.73Å; R1187-E1190 PolarHBondContact NH1-OE1 3.18Å; R1187-E1190 IonicContact NH1-OE2 3.93Å; R1187-E1190 PolarHBondContact NH1-OE2 3.02Å; R1187-E1190 WeakPolarHBondContact O-CB 3.35Å; R1187-E1190 PolarHBondContact O-N 3Å; R1187-E1190 VanDerWaalsContact O-N 3.14Å; L1188-E1190 PolarHBondContact O-N 3.5Å; E1190-M1193 WeakPolarHBondContact O-CB 3.43Å; E1190-M1193 PolarHBondContact O-N 3.3Å; E1190-Y1194 WeakPolarHBondContact O-CB 3.39Å; E1190-Y1194 PolarHBondContact O-N 2.81Å; E1190-L1353 HydrophobicContact CB-CD2 3.6Å; E1190-L1353 HydrophobicContact CG-CD2 3.89Å; E1190-N1354 PolarHBondContact OE1-ND2 2.74Å; E1190-N1354 PolarHBondContact OE1-OD1 3.49Å |
| 1191 | L | 64.8 | Low | 58.7 | Low | 43 Ų | 43 | 52.4 Ų | 52.4 | 23% | 0.225 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -71.8 | -40.2 | -174 | -73.2 | 167.3 | 0 | 0 | 0 | 112.3 | E1132 L1135 R1187 L1188 M1193 Y1194 R1195 | E1132-L1191 HydrophobicContact CB-CD1 4.43Å; E1132-L1191 HydrophobicContact CG-CD1 3.33Å; E1132-L1191 WeakPolarHBondContact OE1-CD1 3.33Å; L1135-L1191 HydrophobicContact CD1-CB 4.27Å; R1187-L1191 HydrophobicContact CG-CD1 4.41Å; R1187-L1191 PolarHBondContact O-N 2.95Å; R1187-L1191 VanDerWaalsContact O-N 3.08Å; L1188-L1191 PolarHBondContact O-N 3.17Å; L1188-L1191 VanDerWaalsContact O-N 3.09Å; L1191-M1193 VanDerWaalsContact C-N 3.28Å; L1191-M1193 PolarHBondContact O-N 3.46Å; L1191-Y1194 PolarHBondContact O-N 2.92Å; L1191-R1195 PolarHBondContact O-N 3.48Å |
| 1192 | L | 64.5 | Low | 57.3 | Low | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.4 | -43.2 | 172 | -62.8 | 167.4 | 0 | 0 | 0 | 110.4 | L1135 L1152 L1188 Q1196 L1217 L1221 | L1135-L1192 HydrophobicContact CD1-CB 4.47Å; L1135-L1192 HydrophobicContact CD1-CD2 3.38Å; L1135-L1192 HydrophobicContact CD1-CG 3.95Å; L1135-L1192 HydrophobicContact CD2-CD2 3.79Å; L1135-L1192 HydrophobicContact CG-CD2 3.83Å; L1152-L1192 HydrophobicContact CD1-CD2 4.29Å; L1152-L1192 HydrophobicContact CD2-CD2 4.07Å; L1152-L1192 HydrophobicContact CG-CD2 4.43Å; L1188-L1192 HydrophobicContact CD1-CD1 4.05Å; L1188-L1192 HydrophobicContact CD1-CD2 4.16Å; L1188-L1192 HydrophobicContact CD1-CG 3.87Å; L1188-L1192 HydrophobicContact CD2-CD1 4.5Å; L1188-L1192 HydrophobicContact CG-CD1 3.86Å; L1188-L1192 HydrophobicContact CG-CG 4.2Å; L1188-L1192 VanDerWaalsContact O-CG 3.26Å; L1188-L1192 WeakPolarHBondContact O-CG 3.49Å; L1188-L1192 PolarHBondContact O-N 3.05Å; L1192-Q1196 PolarHBondContact O-N 3.17Å; L1192-L1217 HydrophobicContact CB-CD2 4.37Å; L1192-L1217 HydrophobicContact CD1-CD2 4.27Å; L1192-L1217 HydrophobicContact CD2-CD2 3.19Å; L1192-L1217 HydrophobicContact CD2-CG 4.37Å; L1192-L1217 HydrophobicContact CG-CD2 4.12Å; L1192-L1221 HydrophobicContact CB-CD1 3.61Å; L1192-L1221 HydrophobicContact CB-CG 4.39Å; L1192-L1221 HydrophobicContact CD1-CD1 3.56Å; L1192-L1221 HydrophobicContact CD1-CD2 4.03Å; L1192-L1221 HydrophobicContact CD1-CG 3.56Å; L1192-L1221 HydrophobicContact CG-CD1 4.22Å |
| 1193 | M | 58.3 | Low | 56.3 | Low | 17 Ų | 17 | 64.2 Ų | 64.2 | 8% | 0.084 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.2 | -43.3 | 174.6 | -76.4 | -168.8 | -79.6 | 0 | 0 | 113.5 | A1189 E1190 L1191 R1195 Q1196 R1197 L1263 L1266 L1353 | A1189-M1193 WeakPolarHBondContact O-CG 3.36Å; A1189-M1193 PolarHBondContact O-N 3.36Å; E1190-M1193 WeakPolarHBondContact O-CB 3.43Å; E1190-M1193 PolarHBondContact O-N 3.3Å; L1191-M1193 VanDerWaalsContact C-N 3.28Å; L1191-M1193 PolarHBondContact O-N 3.46Å; M1193-R1195 VanDerWaalsContact C-N 3.31Å; M1193-R1195 PolarHBondContact O-N 3.46Å; M1193-Q1196 WeakPolarHBondContact O-CB 3.43Å; M1193-Q1196 PolarHBondContact O-N 2.84Å; M1193-R1197 PolarHBondContact O-N 3.11Å; M1193-L1263 HydrophobicContact CE-CD2 4.15Å; M1193-L1263 HydrophobicContact CG-CD2 3.87Å; M1193-L1263 HydrophobicContact SD-CD2 3.09Å; M1193-L1263 WeakPolarHBondContact SD-CD2 3.19Å; M1193-L1263 HydrophobicContact SD-CG 4.23Å; M1193-L1266 HydrophobicContact SD-CD1 3.75Å; M1193-L1353 HydrophobicContact CE-CB 4.27Å; M1193-L1353 HydrophobicContact CE-CD1 4.37Å; M1193-L1353 HydrophobicContact CE-CD2 3.64Å; M1193-L1353 HydrophobicContact CE-CG 4.3Å |
| 1194 | Y | 57.2 | Low | 55.3 | Low | 139 Ų | 139 | 69 Ų | 69 | 55% | 0.545 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | -179.2 | 178.4 | -96.5 | 0 | 0 | 0 | 111.3 | E1190 L1191 R1197 C1198 | E1190-Y1194 WeakPolarHBondContact O-CB 3.39Å; E1190-Y1194 PolarHBondContact O-N 2.81Å; L1191-Y1194 PolarHBondContact O-N 2.92Å; Y1194-R1197 PolarHBondContact O-N 2.98Å; Y1194-C1198 PolarHBondContact O-SG 3.28Å; Y1194-C1198 VanDerWaalsContact O-SG 3.38Å |
| 1195 | R | 58.4 | Low | 54.2 | Low | 91 Ų | 91 | 74.4 Ų | 74.4 | 34% | 0.343 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.1 | -38.1 | 176.9 | -81.5 | -72.8 | -173 | 176.8 | 0.4 | 112.6 | L1135 L1191 M1193 R1197 C1198 | L1135-R1195 HydrophobicContact CB-CG 4.41Å; L1135-R1195 HydrophobicContact CD2-CB 4.49Å; L1135-R1195 HydrophobicContact CD2-CG 4.47Å; L1135-R1195 PolarHBondContact O-NE 3.4Å; L1135-R1195 VanDerWaalsContact O-NE 3.17Å; L1191-R1195 PolarHBondContact O-N 3.48Å; M1193-R1195 VanDerWaalsContact C-N 3.31Å; M1193-R1195 PolarHBondContact O-N 3.46Å; R1195-R1197 PolarHBondContact O-N 2.93Å; R1195-C1198 PolarHBondContact O-N 3.11Å |
| 1196 | Q | 54.1 | Low | 53 | Low | 50 Ų | 50 | 76.7 Ų | 76.7 | 23% | 0.234 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -55.6 | -38.3 | 174.8 | -169 | -178.5 | -0.2 | 0 | 0 | 112.1 | L1192 M1193 C1198 F1214 C1267 | L1192-Q1196 PolarHBondContact O-N 3.17Å; M1193-Q1196 WeakPolarHBondContact O-CB 3.43Å; M1193-Q1196 PolarHBondContact O-N 2.84Å; Q1196-C1198 PolarHBondContact O-N 3.06Å; Q1196-F1214 HydrophobicContact CB-CD1 4.06Å; Q1196-F1214 HydrophobicContact CB-CE1 4.08Å; Q1196-F1214 HydrophobicContact CG-CD1 4.04Å; Q1196-F1214 HydrophobicContact CG-CE1 4.5Å; Q1196-C1267 PolarHBondContact NE2-SG 3.17Å; Q1196-C1267 VanDerWaalsContact NE2-SG 3.43Å |
| 1197 | R | 46.3 | Very low | 51.8 | Low | 134 Ų | 134 | 79.8 Ų | 79.8 | 51% | 0.506 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -69.5 | -27.4 | 176.2 | -74.6 | -176.5 | 173.2 | 176 | -2.7 | 114.7 | M1193 Y1194 R1195 I1199 | M1193-R1197 PolarHBondContact O-N 3.11Å; Y1194-R1197 PolarHBondContact O-N 2.98Å; R1195-R1197 PolarHBondContact O-N 2.93Å; R1197-I1199 VanDerWaalsContact C-N 3.32Å |
| 1198 | C | 40.8 | Very low | 50.7 | Low | 65 Ų | 65 | 77.4 Ų | 77.4 | 44% | 0.439 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -81.9 | -13.5 | -173.9 | -65.4 | 0 | 0 | 0 | 0 | 112.9 | Y1194 R1195 Q1196 K1200 | Y1194-C1198 PolarHBondContact O-SG 3.28Å; Y1194-C1198 VanDerWaalsContact O-SG 3.38Å; R1195-C1198 PolarHBondContact O-N 3.11Å; Q1196-C1198 PolarHBondContact O-N 3.06Å; C1198-K1200 PolarHBondContact O-N 3.11Å |
| 1199 | I | 42.6 | Very low | 49.4 | Very low | 85 Ų | 85 | 80.5 Ų | 80.5 | 44% | 0.436 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -79.3 | 101.8 | 177.2 | -60.9 | 170.6 | 0 | 0 | 0 | 107.5 | R1197 F1214 | R1197-I1199 VanDerWaalsContact C-N 3.32Å; I1199-F1214 HydrophobicContact CD1-CD2 3.97Å; I1199-F1214 HydrophobicContact CD1-CE1 4.3Å; I1199-F1214 HydrophobicContact CD1-CE2 3.06Å; I1199-F1214 HydrophobicContact CD1-CZ 3.27Å |
| 1200 | K | 36.3 | Very low | 48.2 | Very low | 184 Ų | 184 | 83.8 Ų | 83.8 | 80% | 0.8 | 45% | 0.446 | S | S | * | . | trans | -67.5 | 129.5 | 176.3 | -72.7 | -178.3 | 176.9 | 178.8 | 0 | 109.1 | C1198 N1202 | C1198-K1200 PolarHBondContact O-N 3.11Å; K1200-N1202 PolarHBondContact O-N 3.3Å | ||
| 1201 | P | 40.6 | Very low | 47.5 | Very low | 95 Ų | 95 | 87.9 Ų | 87.9 | 62% | 0.617 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | 7.6 | -177.1 | 25.2 | -33.2 | 0 | 0 | 0 | 115.6 | Q1207 | P1201-Q1207 PolarHBondContact O-NE2 2.94Š|
| 1202 | N | 38.3 | Very low | 46.8 | Very low | 138 Ų | 138 | 88.1 Ų | 88.1 | 74% | 0.738 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | 5.2 | -166.4 | -80.2 | 8.1 | 0 | 0 | 0 | 116.6 | K1200 | K1200-N1202 PolarHBondContact O-N 3.3Š|
| 1203 | D | 43.9 | Very low | 46.4 | Very low | 125 Ų | 125 | 90.9 Ų | 90.9 | 67% | 0.668 | 48% | 0.478 | S | S | * | . | trans | -101.3 | 86.7 | 172.3 | -84 | -30.8 | 0 | 0 | 0 | 110.8 | S1205 A1206 | D1203-S1205 PolarHBondContact O-N 2.94Å; D1203-A1206 PolarHBondContact O-N 2.7Å; D1203-A1206 VanDerWaalsContact O-N 3.13Å | ||
| 1204 | D | 46.5 | Very low | 46.3 | Very low | 133 Ų | 133 | 92 Ų | 92 | 71% | 0.711 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -8.9 | -178.2 | -68.1 | -25.7 | 0 | 0 | 0 | 114.9 | Q1207 | D1204-Q1207 PolarHBondContact OD1-NE2 3.42Š|
| 1205 | S | 45.7 | Very low | 46.1 | Very low | 122 Ų | 122 | 86.9 Ų | 86.9 | 85% | 0.853 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -12.4 | 179.4 | 61.5 | 0 | 0 | 0 | 0 | 114.7 | D1203 | D1203-S1205 PolarHBondContact O-N 2.94Š|
| 1206 | A | 41.9 | Very low | 46 | Very low | 50 Ų | 50 | 83.2 Ų | 83.2 | 41% | 0.413 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117 | -0.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | D1203 G1208 | D1203-A1206 PolarHBondContact O-N 2.7Å; D1203-A1206 VanDerWaalsContact O-N 3.13Å; A1206-G1208 PolarHBondContact O-N 3.34Å |
| 1207 | Q | 40.5 | Very low | 46.1 | Very low | 68 Ų | 68 | 81.3 Ų | 81.3 | 32% | 0.318 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.2 | -43.4 | -171 | -81.2 | 163.5 | -6.1 | 0 | 0 | 113.9 | P1201 D1204 V1209 E1211 | P1201-Q1207 PolarHBondContact O-NE2 2.94Å; D1204-Q1207 PolarHBondContact OD1-NE2 3.42Å; Q1207-V1209 PolarHBondContact O-N 3.46Å; Q1207-E1211 PolarHBondContact O-N 3.04Å |
| 1208 | G | 44.2 | Very low | 46.6 | Very low | 60 Ų | 60 | 75.2 Ų | 75.2 | 62% | 0.619 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -67.3 | -29 | -166.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | A1206 | A1206-G1208 PolarHBondContact O-N 3.34Å |
| 1209 | V | 42.3 | Very low | 47.3 | Very low | 67 Ų | 67 | 72.4 Ų | 72.4 | 41% | 0.406 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -91.5 | -38.7 | -178.4 | -151.4 | 0 | 0 | 0 | 0 | 111 | Q1207 Y1213 | Q1207-V1209 PolarHBondContact O-N 3.46Å; V1209-Y1213 HydrophobicContact CB-CE2 3.93Å; V1209-Y1213 HydrophobicContact CG1-CD2 4.12Å; V1209-Y1213 HydrophobicContact CG1-CE1 4.38Å; V1209-Y1213 HydrophobicContact CG1-CE2 3.16Å; V1209-Y1213 WeakPolarHBondContact CG1-OH 3.45Å; V1209-Y1213 WeakPolarHBondContact O-CD2 3.32Å; V1209-Y1213 VanDerWaalsContact O-CE2 3.26Å; V1209-Y1213 WeakPolarHBondContact O-CE2 3.44Å; V1209-Y1213 PolarHBondContact O-N 2.93Å |
| 1210 | F | 41.4 | Very low | 48 | Very low | 72 Ų | 72 | 68.5 Ų | 68.5 | 32% | 0.316 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -69.4 | -34.6 | -178.5 | -94.7 | -82.9 | 0 | 0 | 0 | 113.8 | K1145 Y1213 F1214 | K1145-F1210 HydrophobicContact CD-CE2 4.03Å; K1145-F1210 HydrophobicContact CD-CZ 4.06Å; F1210-Y1213 PolarHBondContact O-N 3.04Å; F1210-F1214 HydrophobicContact CD1-CD2 4.43Å; F1210-F1214 HydrophobicContact CD1-CE2 4.01Å; F1210-F1214 WeakPolarHBondContact O-CD2 3.29Å; F1210-F1214 PolarHBondContact O-N 3.07Å |
| 1211 | E | 48.5 | Very low | 49.1 | Very low | 105 Ų | 105 | 60.3 Ų | 60.3 | 49% | 0.491 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.8 | -47.8 | 178.3 | -78.2 | -178.6 | 163.6 | 0 | 0 | 112.5 | Q1207 Y1213 F1214 Q1215 | Q1207-E1211 PolarHBondContact O-N 3.04Å; E1211-Y1213 PolarHBondContact O-N 3.36Å; E1211-F1214 PolarHBondContact O-N 2.99Å; E1211-Q1215 PolarHBondContact O-N 3.3Å |
| 1212 | D | 51.3 | Low | 50 | Low | 48 Ų | 48 | 56.1 Ų | 56.1 | 26% | 0.257 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -56 | -35.3 | 175.1 | -96.5 | 11.6 | 0 | 0 | 0 | 111.1 | V1216 R1637 | D1212-V1216 WeakPolarHBondContact O-CG2 3.39Å; D1212-R1637 IonicContact OD2-CZ 3.85Å; D1212-R1637 IonicContact OD2-NH1 2.84Å; D1212-R1637 PolarHBondContact OD2-NH1 2.81Å; D1212-R1637 IonicContact OD2-NH2 3.84Å; D1212-R1637 PolarHBondContact OD2-NH2 3.06Å |
| 1213 | Y | 55.3 | Low | 51 | Low | 61 Ų | 61 | 49.7 Ų | 49.7 | 24% | 0.239 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -74.1 | -42.2 | -177.4 | -66.2 | -40.9 | 0 | 0 | 0 | 114.2 | V1149 V1209 F1210 E1211 Q1215 V1216 L1217 | V1149-Y1213 HydrophobicContact CB-CD1 4.43Å; V1149-Y1213 HydrophobicContact CG1-CD1 3.6Å; V1149-Y1213 HydrophobicContact CG1-CE1 4.16Å; V1149-Y1213 HydrophobicContact CG1-CG 3.94Å; V1149-Y1213 HydrophobicContact CG2-CD1 4.48Å; V1149-Y1213 HydrophobicContact CG2-CD2 4.2Å; V1149-Y1213 HydrophobicContact CG2-CG 4.16Å; V1209-Y1213 HydrophobicContact CB-CE2 3.93Å; V1209-Y1213 HydrophobicContact CG1-CD2 4.12Å; V1209-Y1213 HydrophobicContact CG1-CE1 4.38Å; V1209-Y1213 HydrophobicContact CG1-CE2 3.16Å; V1209-Y1213 WeakPolarHBondContact CG1-OH 3.45Å; V1209-Y1213 WeakPolarHBondContact O-CD2 3.32Å; V1209-Y1213 VanDerWaalsContact O-CE2 3.26Å; V1209-Y1213 WeakPolarHBondContact O-CE2 3.44Å; V1209-Y1213 PolarHBondContact O-N 2.93Å; F1210-Y1213 PolarHBondContact O-N 3.04Å; E1211-Y1213 PolarHBondContact O-N 3.36Å; Y1213-Q1215 VanDerWaalsContact C-N 3.32Å; Y1213-V1216 PolarHBondContact O-N 3.18Å; Y1213-L1217 PolarHBondContact O-N 2.9Å |
| 1214 | F | 55.4 | Low | 51.6 | Low | 39 Ų | 39 | 44 Ų | 44 | 17% | 0.171 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.2 | -32.4 | 179.1 | -89.6 | -81.9 | 0 | 0 | 0 | 112.1 | Q1196 I1199 F1210 E1211 L1217 A1218 | Q1196-F1214 HydrophobicContact CB-CD1 4.06Å; Q1196-F1214 HydrophobicContact CB-CE1 4.08Å; Q1196-F1214 HydrophobicContact CG-CD1 4.04Å; Q1196-F1214 HydrophobicContact CG-CE1 4.5Å; I1199-F1214 HydrophobicContact CD1-CD2 3.97Å; I1199-F1214 HydrophobicContact CD1-CE1 4.3Å; I1199-F1214 HydrophobicContact CD1-CE2 3.06Å; I1199-F1214 HydrophobicContact CD1-CZ 3.27Å; F1210-F1214 HydrophobicContact CD1-CD2 4.43Å; F1210-F1214 HydrophobicContact CD1-CE2 4.01Å; F1210-F1214 WeakPolarHBondContact O-CD2 3.29Å; F1210-F1214 PolarHBondContact O-N 3.07Å; E1211-F1214 PolarHBondContact O-N 2.99Å; F1214-L1217 PolarHBondContact O-N 2.75Å; F1214-A1218 VanDerWaalsContact O-CB 3.31Å; F1214-A1218 WeakPolarHBondContact O-CB 3.48Å; F1214-A1218 PolarHBondContact O-N 3.17Å |
| 1215 | Q | 54.1 | Low | 52.1 | Low | 33 Ų | 33 | 37.9 Ų | 37.9 | 15% | 0.154 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.5 | -45.7 | 173.5 | -80.4 | -171.1 | -6.6 | 0 | 0 | 112.2 | E1211 Y1213 L1217 A1218 I1219 D1272 L1644 | E1211-Q1215 PolarHBondContact O-N 3.3Å; Y1213-Q1215 VanDerWaalsContact C-N 3.32Å; Q1215-L1217 VanDerWaalsContact C-N 3.34Å; Q1215-L1217 PolarHBondContact O-N 2.79Å; Q1215-A1218 WeakPolarHBondContact O-CB 3.34Å; Q1215-A1218 PolarHBondContact O-N 3.38Å; Q1215-I1219 WeakPolarHBondContact O-CG1 3.43Å; Q1215-I1219 PolarHBondContact O-N 3.39Å; Q1215-D1272 VanDerWaalsContact NE2-CG 3.32Å; Q1215-D1272 PolarHBondContact NE2-OD2 3.28Å; Q1215-L1644 HydrophobicContact CB-CD2 4.33Å |
| 1216 | V | 55.6 | Low | 52.6 | Low | 13 Ų | 13 | 32.3 Ų | 32.3 | 8% | 0.079 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.7 | -45 | 177.8 | 177.2 | 0 | 0 | 0 | 0 | 111.1 | E1153 D1212 Y1213 A1218 I1219 S1220 H1641 | E1153-V1216 HydrophobicContact CG-CG1 3.91Å; D1212-V1216 WeakPolarHBondContact O-CG2 3.39Å; Y1213-V1216 PolarHBondContact O-N 3.18Å; V1216-A1218 VanDerWaalsContact C-N 3.33Å; V1216-A1218 PolarHBondContact O-N 2.61Å; V1216-I1219 WeakPolarHBondContact O-CB 3.15Å; V1216-I1219 PolarHBondContact O-N 2.9Å; V1216-S1220 PolarHBondContact O-N 2.92Å; V1216-S1220 VanDerWaalsContact O-N 3.12Å; V1216-H1641 WeakPolarHBondContact CG2-ND1 3.21Å |
| 1217 | L | 57 | Low | 53.3 | Low | 10 Ų | 10 | 30 Ų | 30 | 5% | 0.052 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.4 | -44.8 | 177.8 | -126.6 | 89.5 | 0 | 0 | 0 | 111.8 | L1152 L1192 Y1213 F1214 Q1215 I1219 S1220 L1221 | L1152-L1217 HydrophobicContact CB-CD1 4.28Å; L1152-L1217 HydrophobicContact CD2-CD1 3.73Å; L1152-L1217 HydrophobicContact CD2-CD2 3.66Å; L1152-L1217 HydrophobicContact CD2-CG 4.23Å; L1152-L1217 HydrophobicContact CG-CD1 3.85Å; L1152-L1217 HydrophobicContact CG-CD2 4.21Å; L1152-L1217 HydrophobicContact CG-CG 4.39Å; L1192-L1217 HydrophobicContact CB-CD2 4.37Å; L1192-L1217 HydrophobicContact CD1-CD2 4.27Å; L1192-L1217 HydrophobicContact CD2-CD2 3.19Å; L1192-L1217 HydrophobicContact CD2-CG 4.37Å; L1192-L1217 HydrophobicContact CG-CD2 4.12Å; Y1213-L1217 PolarHBondContact O-N 2.9Å; F1214-L1217 PolarHBondContact O-N 2.75Å; Q1215-L1217 VanDerWaalsContact C-N 3.34Å; Q1215-L1217 PolarHBondContact O-N 2.79Å; L1217-I1219 VanDerWaalsContact C-N 3.27Å; L1217-I1219 PolarHBondContact O-N 3.3Å; L1217-S1220 PolarHBondContact O-N 2.83Å; L1217-L1221 VanDerWaalsContact O-CB 3.29Å; L1217-L1221 WeakPolarHBondContact O-CB 3.31Å; L1217-L1221 PolarHBondContact O-N 3.43Å |
| 1218 | A | 56.2 | Low | 53.9 | Low | 7 Ų | 7 | 26.8 Ų | 26.8 | 6% | 0.058 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.8 | -40.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | F1214 Q1215 V1216 L1221 F1222 T1276 | F1214-A1218 VanDerWaalsContact O-CB 3.31Å; F1214-A1218 WeakPolarHBondContact O-CB 3.48Å; F1214-A1218 PolarHBondContact O-N 3.17Å; Q1215-A1218 WeakPolarHBondContact O-CB 3.34Å; Q1215-A1218 PolarHBondContact O-N 3.38Å; V1216-A1218 VanDerWaalsContact C-N 3.33Å; V1216-A1218 PolarHBondContact O-N 2.61Å; A1218-L1221 WeakPolarHBondContact O-CB 3.15Å; A1218-L1221 PolarHBondContact O-N 2.96Å; A1218-F1222 HydrophobicContact CB-CD2 4.35Å; A1218-F1222 HydrophobicContact CB-CE2 4.35Å; A1218-F1222 WeakPolarHBondContact O-CB 3.15Å; A1218-F1222 WeakPolarHBondContact O-CD2 3.29Å; A1218-F1222 PolarHBondContact O-N 3.08Å; A1218-T1276 HydrophobicContact CB-CG2 3.7Å |
| 1219 | I | 56 | Low | 54.3 | Low | 6 Ų | 6 | 24.2 Ų | 24.2 | 3% | 0.031 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.5 | -49.2 | 176 | -67.6 | 164.7 | 0 | 0 | 0 | 111.5 | Q1215 V1216 L1217 L1221 F1222 A1223 T1276 L1644 | Q1215-I1219 WeakPolarHBondContact O-CG1 3.43Å; Q1215-I1219 PolarHBondContact O-N 3.39Å; V1216-I1219 WeakPolarHBondContact O-CB 3.15Å; V1216-I1219 PolarHBondContact O-N 2.9Å; L1217-I1219 VanDerWaalsContact C-N 3.27Å; L1217-I1219 PolarHBondContact O-N 3.3Å; I1219-L1221 VanDerWaalsContact C-N 3.31Å; I1219-L1221 PolarHBondContact O-N 3.27Å; I1219-F1222 PolarHBondContact O-N 2.61Å; I1219-A1223 VanDerWaalsContact O-CB 3.3Å; I1219-A1223 WeakPolarHBondContact O-CB 3.39Å; I1219-A1223 PolarHBondContact O-N 3.35Å; I1219-T1276 HydrophobicContact CG1-CG2 4.21Å; I1219-L1644 HydrophobicContact CD1-CB 4.22Å; I1219-L1644 HydrophobicContact CD1-CD1 3.93Å; I1219-L1644 HydrophobicContact CD1-CD2 3.5Å; I1219-L1644 HydrophobicContact CD1-CG 4.07Å |
| 1220 | S | 57.9 | Low | 54.8 | Low | 3 Ų | 3 | 23.3 Ų | 23.3 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.9 | -44.3 | 177.8 | -60.4 | 0 | 0 | 0 | 0 | 110.3 | C1156 N1157 V1216 L1217 F1222 A1223 I1224 | C1156-S1220 VanDerWaalsContact CB-CB 3.5Å; N1157-S1220 PolarHBondContact OD1-OG 3.36Å; N1157-S1220 VanDerWaalsContact OD1-OG 3.14Å; V1216-S1220 PolarHBondContact O-N 2.92Å; V1216-S1220 VanDerWaalsContact O-N 3.12Å; L1217-S1220 PolarHBondContact O-N 2.83Å; S1220-F1222 PolarHBondContact O-N 3.14Å; S1220-A1223 WeakPolarHBondContact O-CB 3.27Å; S1220-A1223 PolarHBondContact O-N 2.91Å; S1220-I1224 WeakPolarHBondContact O-CB 3.41Å; S1220-I1224 WeakPolarHBondContact O-CG1 3.36Å; S1220-I1224 PolarHBondContact O-N 3.18Å |
| 1221 | L | 58.6 | Low | 55.1 | Low | 12 Ų | 12 | 22 Ų | 22 | 6% | 0.063 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -51.1 | -53.2 | 170.6 | -105.7 | 154.8 | 0 | 0 | 0 | 113.9 | A1189 L1192 L1217 A1218 I1219 A1223 I1224 L1225 | A1189-L1221 HydrophobicContact CB-CD2 3.23Å; L1192-L1221 HydrophobicContact CB-CD1 3.61Å; L1192-L1221 HydrophobicContact CB-CG 4.39Å; L1192-L1221 HydrophobicContact CD1-CD1 3.56Å; L1192-L1221 HydrophobicContact CD1-CD2 4.03Å; L1192-L1221 HydrophobicContact CD1-CG 3.56Å; L1192-L1221 HydrophobicContact CG-CD1 4.22Å; L1217-L1221 VanDerWaalsContact O-CB 3.29Å; L1217-L1221 WeakPolarHBondContact O-CB 3.31Å; L1217-L1221 PolarHBondContact O-N 3.43Å; A1218-L1221 WeakPolarHBondContact O-CB 3.15Å; A1218-L1221 PolarHBondContact O-N 2.96Å; I1219-L1221 VanDerWaalsContact C-N 3.31Å; I1219-L1221 PolarHBondContact O-N 3.27Å; L1221-A1223 VanDerWaalsContact C-N 3.33Å; L1221-I1224 WeakPolarHBondContact O-CB 3.28Å; L1221-I1224 PolarHBondContact O-N 3.23Å; L1221-L1225 WeakPolarHBondContact O-CG 3.31Å; L1221-L1225 PolarHBondContact O-N 3.44Å |
| 1222 | F | 58.3 | Low | 55.1 | Low | 7 Ų | 7 | 17.5 Ų | 17.5 | 3% | 0.031 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -68.3 | -35.4 | 180 | -81.6 | -72.6 | 0 | 0 | 0 | 111.2 | A1218 I1219 S1220 L1225 N1226 L1263 T1276 V1277 S1280 | A1218-F1222 HydrophobicContact CB-CD2 4.35Å; A1218-F1222 HydrophobicContact CB-CE2 4.35Å; A1218-F1222 WeakPolarHBondContact O-CB 3.15Å; A1218-F1222 WeakPolarHBondContact O-CD2 3.29Å; A1218-F1222 PolarHBondContact O-N 3.08Å; I1219-F1222 PolarHBondContact O-N 2.61Å; S1220-F1222 PolarHBondContact O-N 3.14Å; F1222-L1225 PolarHBondContact O-N 3.34Å; F1222-N1226 VanDerWaalsContact O-CB 3.28Å; F1222-N1226 WeakPolarHBondContact O-CB 3.44Å; F1222-N1226 VanDerWaalsContact O-CG 3.31Å; F1222-N1226 PolarHBondContact O-N 3.43Å; F1222-N1226 PolarHBondContact O-ND2 2.89Å; F1222-L1263 HydrophobicContact CD1-CD1 4.05Å; F1222-L1263 HydrophobicContact CE1-CB 3.51Å; F1222-L1263 HydrophobicContact CE1-CD1 3.58Å; F1222-L1263 HydrophobicContact CE1-CG 4.1Å; F1222-L1263 HydrophobicContact CZ-CB 3.54Å; F1222-L1263 HydrophobicContact CZ-CD1 4.26Å; F1222-L1263 HydrophobicContact CZ-CG 4.36Å; F1222-T1276 HydrophobicContact CD2-CG2 3.59Å; F1222-T1276 HydrophobicContact CE2-CG2 3.51Å; F1222-V1277 HydrophobicContact CE1-CG2 4.32Å; F1222-V1277 HydrophobicContact CZ-CG2 4.25Å; F1222-S1280 WeakPolarHBondContact CB-OG 3.33Å |
| 1223 | A | 59.5 | Low | 54.7 | Low | 3 Ų | 3 | 16.9 Ų | 16.9 | 3% | 0.025 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.8 | -44.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | V1160 I1219 S1220 L1221 N1226 C1227 V1284 | V1160-A1223 HydrophobicContact CG2-CB 4.35Å; I1219-A1223 VanDerWaalsContact O-CB 3.3Å; I1219-A1223 WeakPolarHBondContact O-CB 3.39Å; I1219-A1223 PolarHBondContact O-N 3.35Å; S1220-A1223 WeakPolarHBondContact O-CB 3.27Å; S1220-A1223 PolarHBondContact O-N 2.91Å; L1221-A1223 VanDerWaalsContact C-N 3.33Å; A1223-N1226 PolarHBondContact O-N 3.14Å; A1223-C1227 WeakPolarHBondContact O-CB 3.14Å; A1223-C1227 PolarHBondContact O-N 3.45Å; A1223-C1227 PolarHBondContact O-SG 3.11Å; A1223-V1284 HydrophobicContact CB-CG2 3.86Å |
| 1224 | I | 58.1 | Low | 54.1 | Low | 6 Ų | 6 | 16 Ų | 16 | 3% | 0.031 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -57.2 | -51 | 174.1 | -70.3 | 166.8 | 0 | 0 | 0 | 110.6 | C1156 V1160 L1163 V1185 S1220 L1221 N1226 C1227 C1228 | C1156-I1224 HydrophobicContact CB-CD1 4.12Å; V1160-I1224 HydrophobicContact CB-CG1 4.41Å; V1160-I1224 HydrophobicContact CG2-CB 4.23Å; V1160-I1224 HydrophobicContact CG2-CD1 4.2Å; V1160-I1224 HydrophobicContact CG2-CG1 3.21Å; L1163-I1224 HydrophobicContact CD1-CG2 3.81Å; V1185-I1224 HydrophobicContact CB-CG2 4.36Å; V1185-I1224 HydrophobicContact CG1-CB 4.49Å; V1185-I1224 HydrophobicContact CG1-CG2 3.02Å; S1220-I1224 WeakPolarHBondContact O-CB 3.41Å; S1220-I1224 WeakPolarHBondContact O-CG1 3.36Å; S1220-I1224 PolarHBondContact O-N 3.18Å; L1221-I1224 WeakPolarHBondContact O-CB 3.28Å; L1221-I1224 PolarHBondContact O-N 3.23Å; I1224-N1226 PolarHBondContact O-N 3.37Å; I1224-C1227 WeakPolarHBondContact O-CB 3.35Å; I1224-C1227 PolarHBondContact O-N 2.97Å; I1224-C1228 WeakPolarHBondContact O-CB 3.44Å; I1224-C1228 PolarHBondContact O-N 2.92Å; I1224-C1228 PolarHBondContact O-SG 3.31Å |
| 1225 | L | 55.4 | Low | 53.4 | Low | 4 Ų | 4 | 21.3 Ų | 21.3 | 2% | 0.021 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.9 | -46 | 178.4 | -70.7 | 168.7 | 0 | 0 | 0 | 111.3 | L1186 L1221 F1222 C1227 C1228 F1229 I1259 L1263 | L1186-L1225 HydrophobicContact CD2-CD2 3.43Å; L1186-L1225 VanDerWaalsContact CD2-CD2 3.43Å; L1221-L1225 WeakPolarHBondContact O-CG 3.31Å; L1221-L1225 PolarHBondContact O-N 3.44Å; F1222-L1225 PolarHBondContact O-N 3.34Å; L1225-C1227 PolarHBondContact O-N 2.92Å; L1225-C1228 WeakPolarHBondContact O-CB 3.26Å; L1225-C1228 PolarHBondContact O-N 3.41Å; L1225-F1229 HydrophobicContact CB-CD2 4.42Å; L1225-F1229 HydrophobicContact CB-CE2 4.41Å; L1225-F1229 HydrophobicContact CD2-CE2 4.11Å; L1225-F1229 WeakPolarHBondContact O-CD2 3.05Å; L1225-F1229 PolarHBondContact O-N 3.14Å; L1225-I1259 HydrophobicContact CD1-CG2 4.48Å; L1225-L1263 HydrophobicContact CD1-CD1 3.34Å |
| 1226 | N | 56.7 | Low | 52.7 | Low | 5 Ų | 5 | 20.7 Ų | 20.7 | 3% | 0.027 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.4 | -43 | 176.2 | -80.1 | -44.7 | 0 | 0 | 0 | 111.7 | F1222 A1223 I1224 D1230 K1256 V1284 | F1222-N1226 VanDerWaalsContact O-CB 3.28Å; F1222-N1226 WeakPolarHBondContact O-CB 3.44Å; F1222-N1226 VanDerWaalsContact O-CG 3.31Å; F1222-N1226 PolarHBondContact O-N 3.43Å; F1222-N1226 PolarHBondContact O-ND2 2.89Å; A1223-N1226 PolarHBondContact O-N 3.14Å; I1224-N1226 PolarHBondContact O-N 3.37Å; N1226-D1230 WeakPolarHBondContact O-CB 2.93Å; N1226-D1230 PolarHBondContact O-N 2.97Å; N1226-K1256 WeakPolarHBondContact OD1-CE 3.18Å; N1226-K1256 PolarHBondContact OD1-NZ 2.79Å; N1226-V1284 HydrophobicContact CB-CB 4.35Å; N1226-V1284 HydrophobicContact CB-CG1 4.39Å; N1226-V1284 HydrophobicContact CB-CG2 4.15Å |
| 1227 | C | 57.2 | Low | 52 | Low | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.007 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.6 | -45.1 | 174.5 | -71.3 | 0 | 0 | 0 | 0 | 111.8 | L1164 A1223 I1224 L1225 Q1231 | L1164-C1227 HydrophobicContact CD2-CB 4.12Å; L1164-C1227 WeakPolarHBondContact CD2-SG 3.46Å; A1223-C1227 WeakPolarHBondContact O-CB 3.14Å; A1223-C1227 PolarHBondContact O-N 3.45Å; A1223-C1227 PolarHBondContact O-SG 3.11Å; I1224-C1227 WeakPolarHBondContact O-CB 3.35Å; I1224-C1227 PolarHBondContact O-N 2.97Å; L1225-C1227 PolarHBondContact O-N 2.92Å; C1227-Q1231 WeakPolarHBondContact O-CB 3.26Å; C1227-Q1231 PolarHBondContact O-N 2.61Å; C1227-Q1231 VanDerWaalsContact O-N 3.16Å |
| 1228 | C | 53.3 | Low | 51.2 | Low | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.007 | 14% | 0.138 | C | C | . | . | I | π-helix | trans | -61.1 | -50.3 | 179.1 | -70.1 | 0 | 0 | 0 | 0 | 111.8 | L1182 I1224 L1225 I1233 | L1182-C1228 HydrophobicContact CD1-CB 3.46Å; L1182-C1228 VanDerWaalsContact CD1-CB 3.46Å; L1182-C1228 WeakPolarHBondContact CD1-SG 3.37Å; I1224-C1228 WeakPolarHBondContact O-CB 3.44Å; I1224-C1228 PolarHBondContact O-N 2.92Å; I1224-C1228 PolarHBondContact O-SG 3.31Å; L1225-C1228 WeakPolarHBondContact O-CB 3.26Å; L1225-C1228 PolarHBondContact O-N 3.41Å; C1228-I1233 WeakPolarHBondContact O-CG1 3.42Å; C1228-I1233 PolarHBondContact O-N 3.25Å |
| 1229 | F | 52.8 | Low | 50.5 | Low | 6 Ų | 6 | 31.9 Ų | 31.9 | 3% | 0.026 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -70 | -56.8 | 179.5 | -70.8 | -66.4 | 0 | 0 | 0 | 111.1 | L1225 Q1231 I1233 F1234 K1256 I1259 L1356 | L1225-F1229 HydrophobicContact CB-CD2 4.42Å; L1225-F1229 HydrophobicContact CB-CE2 4.41Å; L1225-F1229 HydrophobicContact CD2-CE2 4.11Å; L1225-F1229 WeakPolarHBondContact O-CD2 3.05Å; L1225-F1229 PolarHBondContact O-N 3.14Å; F1229-Q1231 PolarHBondContact O-N 3Å; F1229-I1233 HydrophobicContact CD1-CD1 4Å; F1229-I1233 HydrophobicContact CE1-CD1 4.11Å; F1229-F1234 WeakPolarHBondContact O-CD2 3.48Å; F1229-F1234 WeakPolarHBondContact O-CE2 3.45Å; F1229-K1256 HydrophobicContact CB-CB 4.24Å; F1229-K1256 HydrophobicContact CB-CD 3.85Å; F1229-K1256 HydrophobicContact CB-CG 3.96Å; F1229-K1256 HydrophobicContact CD1-CB 4.12Å; F1229-K1256 HydrophobicContact CD2-CB 4.22Å; F1229-K1256 HydrophobicContact CD2-CG 3.95Å; F1229-K1256 HydrophobicContact CG-CB 3.92Å; F1229-K1256 HydrophobicContact CG-CD 4.37Å; F1229-K1256 HydrophobicContact CG-CG 3.92Å; F1229-I1259 HydrophobicContact CE1-CD1 4.11Å; F1229-I1259 HydrophobicContact CE2-CD1 3.71Å; F1229-I1259 HydrophobicContact CZ-CD1 3.25Å; F1229-L1356 HydrophobicContact CZ-CD2 4.23Å |
| 1230 | D | 51.4 | Low | 49.7 | Very low | 47 Ų | 47 | 32.8 Ų | 32.8 | 25% | 0.251 | 18% | 0.18 | S | C | . | . | I | π-helix | trans | -72.2 | -28.9 | -168.1 | -67.7 | -26.5 | 0 | 0 | 0 | 115 | N1226 K1256 I1288 | N1226-D1230 WeakPolarHBondContact O-CB 2.93Å; N1226-D1230 PolarHBondContact O-N 2.97Å; D1230-K1256 IonicContact OD1-NZ 3.83Å; D1230-K1256 PolarHBondContact OD1-NZ 2.95Å; D1230-K1256 IonicContact OD2-NZ 3.96Å; D1230-K1256 PolarHBondContact OD2-NZ 3.17Å; D1230-I1288 HydrophobicContact CB-CD1 4.06Å |
| 1231 | Q | 49.3 | Very low | 49.2 | Very low | 45 Ų | 45 | 35 Ų | 35 | 21% | 0.21 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -109.6 | -33.6 | -171.2 | -64.4 | -160.8 | -3.3 | 0 | 0 | 116.2 | L1164 C1227 F1229 Y1235 I1288 | L1164-Q1231 HydrophobicContact CD2-CG 4.46Å; C1227-Q1231 WeakPolarHBondContact O-CB 3.26Å; C1227-Q1231 PolarHBondContact O-N 2.61Å; C1227-Q1231 VanDerWaalsContact O-N 3.16Å; F1229-Q1231 PolarHBondContact O-N 3Å; Q1231-Y1235 WeakPolarHBondContact O-CD2 3.24Å; Q1231-I1288 HydrophobicContact CG-CD1 4.39Å |
| 1232 | K | 48.1 | Very low | 48.6 | Very low | 11 Ų | 11 | 37.4 Ų | 37.4 | 5% | 0.048 | 22% | 0.217 | C | C | . | . | I | π-helix | trans | -110.2 | -52.3 | -164.1 | -66.8 | -78.2 | 179.9 | 91.2 | 0 | 111.6 | L1163 I1166 V1171 F1234 Y1235 A1236 | L1163-K1232 WeakPolarHBondContact O-CE 3.36Å; L1163-K1232 PolarHBondContact O-NZ 3.32Å; I1166-K1232 VanDerWaalsContact C-NZ 3.31Å; I1166-K1232 WeakPolarHBondContact O-CE 3.46Å; I1166-K1232 PolarHBondContact O-NZ 2.99Å; V1171-K1232 HydrophobicContact CB-CB 4.33Å; V1171-K1232 HydrophobicContact CB-CD 4.22Å; V1171-K1232 HydrophobicContact CB-CG 4.4Å; V1171-K1232 HydrophobicContact CG1-CB 4.03Å; V1171-K1232 HydrophobicContact CG1-CG 4.28Å; V1171-K1232 HydrophobicContact CG2-CD 3.64Å; V1171-K1232 HydrophobicContact CG2-CG 4.05Å; K1232-F1234 VanDerWaalsContact C-N 3.33Å; K1232-F1234 PolarHBondContact O-N 3.07Å; K1232-Y1235 PolarHBondContact O-N 3.34Å; K1232-A1236 WeakPolarHBondContact O-CB 3.39Å; K1232-A1236 PolarHBondContact O-N 2.78Å |
| 1233 | I | 42.8 | Very low | 47.9 | Very low | 35 Ų | 35 | 39.6 Ų | 39.6 | 18% | 0.179 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -62 | -41.5 | -178.2 | -63.3 | 170.3 | 0 | 0 | 0 | 111 | L1182 C1228 F1229 Y1235 Y1237 | L1182-I1233 HydrophobicContact CD1-CD1 4.37Å; L1182-I1233 HydrophobicContact CD2-CD1 3.74Å; L1182-I1233 HydrophobicContact CD2-CG1 3.8Å; C1228-I1233 WeakPolarHBondContact O-CG1 3.42Å; C1228-I1233 PolarHBondContact O-N 3.25Å; F1229-I1233 HydrophobicContact CD1-CD1 4Å; F1229-I1233 HydrophobicContact CE1-CD1 4.11Å; I1233-Y1235 VanDerWaalsContact C-N 3.35Å; I1233-Y1235 PolarHBondContact O-N 3.23Å; I1233-Y1237 WeakPolarHBondContact O-CD2 3.45Å |
| 1234 | F | 42.8 | Very low | 47 | Very low | 41 Ų | 41 | 44.2 Ų | 44.2 | 18% | 0.18 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -24.9 | -179.5 | -68.7 | -63.4 | 0 | 0 | 0 | 114.5 | F1229 K1232 F1249 | F1229-F1234 WeakPolarHBondContact O-CD2 3.48Å; F1229-F1234 WeakPolarHBondContact O-CE2 3.45Å; K1232-F1234 VanDerWaalsContact C-N 3.33Å; K1232-F1234 PolarHBondContact O-N 3.07Å; F1234-F1249 HydrophobicContact CD1-CD2 4.23Å; F1234-F1249 HydrophobicContact CD1-CE1 4.49Å; F1234-F1249 HydrophobicContact CD1-CE2 4.17Å; F1234-F1249 HydrophobicContact CD1-CG 4.43Å; F1234-F1249 HydrophobicContact CD1-CZ 4.3Å; F1234-F1249 HydrophobicContact CE1-CD1 4.34Å; F1234-F1249 HydrophobicContact CE1-CG 4.44Å |
| 1235 | Y | 40.1 | Very low | 46.1 | Very low | 152 Ų | 152 | 48.1 Ų | 48.1 | 60% | 0.596 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | -14.2 | -172.9 | -65 | -83.1 | 0 | 0 | 0 | 114 | Q1231 K1232 I1233 Y1237 R1292 | Q1231-Y1235 WeakPolarHBondContact O-CD2 3.24Å; K1232-Y1235 PolarHBondContact O-N 3.34Å; I1233-Y1235 VanDerWaalsContact C-N 3.35Å; I1233-Y1235 PolarHBondContact O-N 3.23Å; Y1235-Y1237 VanDerWaalsContact C-N 3.25Å; Y1235-Y1237 PolarHBondContact O-N 2.91Å; Y1235-R1292 PolarHBondContact OH-NH2 3.21Å |
| 1236 | A | 39.5 | Very low | 45.3 | Very low | 19 Ų | 19 | 50.4 Ų | 50.4 | 16% | 0.157 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -75.1 | -3.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | G1168 K1232 P1238 | G1168-A1236 WeakPolarHBondContact O-CB 3.36Å; K1232-A1236 WeakPolarHBondContact O-CB 3.39Å; K1232-A1236 PolarHBondContact O-N 2.78Å; A1236-P1238 WeakPolarHBondContact O-CD 3.46Å |
| 1237 | Y | 41.3 | Very low | 44.4 | Very low | 59 Ų | 59 | 56.3 Ų | 56.3 | 23% | 0.231 | 31% | 0.307 | C | S | . | . | trans | -114.6 | 69.8 | -174.9 | -68.8 | -80.8 | 0 | 0 | 0 | 113.6 | I1233 Y1235 A1239 V1240 C1367 | I1233-Y1237 WeakPolarHBondContact O-CD2 3.45Å; Y1235-Y1237 VanDerWaalsContact C-N 3.25Å; Y1235-Y1237 PolarHBondContact O-N 2.91Å; Y1237-A1239 PolarHBondContact O-N 2.97Å; Y1237-V1240 HydrophobicContact CD1-CG2 4.11Å; Y1237-V1240 HydrophobicContact CG-CG2 4.34Å; Y1237-C1367 HydrophobicContact CE1-CB 4.25Å | ||
| 1238 | P | 40.6 | Very low | 43.5 | Very low | 106 Ų | 106 | 58.3 Ų | 58.3 | 69% | 0.688 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -18.7 | 172.3 | 26.3 | -29.8 | 0 | 0 | 0 | 113 | A1236 V1240 | A1236-P1238 WeakPolarHBondContact O-CD 3.46Å; P1238-V1240 VanDerWaalsContact C-N 3.33Å; P1238-V1240 PolarHBondContact O-N 3.3Å |
| 1239 | A | 41.2 | Very low | 42.8 | Very low | 101 Ų | 101 | 63.7 Ų | 63.7 | 84% | 0.835 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -6.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y1237 | Y1237-A1239 PolarHBondContact O-N 2.97Š|
| 1240 | V | 39.3 | Very low | 42.2 | Very low | 24 Ų | 24 | 65.1 Ų | 65.1 | 15% | 0.145 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -95.1 | 133.2 | -173.6 | 179.6 | 0 | 0 | 0 | 0 | 110.2 | Y1237 P1238 E1244 R1245 L1248 | Y1237-V1240 HydrophobicContact CD1-CG2 4.11Å; Y1237-V1240 HydrophobicContact CG-CG2 4.34Å; P1238-V1240 VanDerWaalsContact C-N 3.33Å; P1238-V1240 PolarHBondContact O-N 3.3Å; V1240-E1244 HydrophobicContact CG1-CB 3.22Å; V1240-E1244 HydrophobicContact CG1-CG 4.27Å; V1240-E1244 WeakPolarHBondContact CG1-OE2 3.45Å; V1240-R1245 PolarHBondContact O-NE 3.26Å; V1240-R1245 PolarHBondContact O-NH2 3.39Å; V1240-L1248 HydrophobicContact CB-CD1 4.46Å; V1240-L1248 HydrophobicContact CG1-CD1 3.77Å |
| 1241 | S | 46 | Very low | 41.6 | Very low | 51 Ų | 51 | 65.1 Ų | 65.1 | 36% | 0.357 | 36% | 0.359 | S | S | . | . | trans | -58.9 | 151.8 | -178.4 | 68.9 | 0 | 0 | 0 | 0 | 111.2 | S1243 E1244 R1245 | S1241-S1243 PolarHBondContact O-N 2.87Å; S1241-S1243 VanDerWaalsContact O-N 3.14Å; S1241-S1243 PolarHBondContact OG-OG 3.34Å; S1241-E1244 WeakPolarHBondContact CB-OE2 3.2Å; S1241-E1244 PolarHBondContact N-OE2 3.34Å; S1241-E1244 PolarHBondContact O-N 3.39Å; S1241-E1244 VanDerWaalsContact OG-CD 3.24Å; S1241-E1244 WeakPolarHBondContact OG-CG 3.23Å; S1241-E1244 PolarHBondContact OG-OE2 3Å; S1241-R1245 PolarHBondContact O-N 3.35Å | ||
| 1242 | A | 46.1 | Very low | 41.3 | Very low | 62 Ų | 62 | 63.4 Ų | 63.4 | 51% | 0.512 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -54.4 | -37.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R1245 E1246 | A1242-R1245 PolarHBondContact O-N 3.44Å; A1242-E1246 WeakPolarHBondContact O-CG 3.41Å; A1242-E1246 PolarHBondContact O-N 3.34Å |
| 1243 | S | 44.3 | Very low | 41.3 | Very low | 53 Ų | 53 | 66.6 Ų | 66.6 | 37% | 0.371 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.9 | -33.9 | 177.8 | 47.4 | 0 | 0 | 0 | 0 | 114.7 | S1241 K1318 | S1241-S1243 PolarHBondContact O-N 2.87Å; S1241-S1243 VanDerWaalsContact O-N 3.14Å; S1241-S1243 PolarHBondContact OG-OG 3.34Å; S1243-K1318 VanDerWaalsContact CB-NZ 3.34Å |
| 1244 | E | 40.5 | Very low | 41.4 | Very low | 99 Ų | 99 | 72.6 Ų | 72.6 | 46% | 0.463 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -79.6 | -33.1 | 177.3 | -73.4 | 164.2 | 149.6 | 0 | 0 | 110.5 | V1240 S1241 E1246 Q1247 L1248 | V1240-E1244 HydrophobicContact CG1-CB 3.22Å; V1240-E1244 HydrophobicContact CG1-CG 4.27Å; V1240-E1244 WeakPolarHBondContact CG1-OE2 3.45Å; S1241-E1244 WeakPolarHBondContact CB-OE2 3.2Å; S1241-E1244 PolarHBondContact N-OE2 3.34Å; S1241-E1244 PolarHBondContact O-N 3.39Å; S1241-E1244 VanDerWaalsContact OG-CD 3.24Å; S1241-E1244 WeakPolarHBondContact OG-CG 3.23Å; S1241-E1244 PolarHBondContact OG-OE2 3Å; E1244-E1246 VanDerWaalsContact C-N 3.27Å; E1244-E1246 PolarHBondContact O-N 2.9Å; E1244-Q1247 PolarHBondContact O-N 2.91Å; E1244-L1248 WeakPolarHBondContact O-CB 3.38Å; E1244-L1248 WeakPolarHBondContact O-CD1 3.13Å; E1244-L1248 WeakPolarHBondContact O-CG 3.44Å; E1244-L1248 PolarHBondContact O-N 2.96Å |
| 1245 | R | 40.4 | Very low | 41.6 | Very low | 89 Ų | 89 | 72.3 Ų | 72.3 | 34% | 0.336 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.5 | -35.9 | 174.3 | -133.8 | -178.3 | -74 | -178.5 | -5.4 | 112.2 | V1240 S1241 A1242 L1248 F1249 | V1240-R1245 PolarHBondContact O-NE 3.26Å; V1240-R1245 PolarHBondContact O-NH2 3.39Å; S1241-R1245 PolarHBondContact O-N 3.35Å; A1242-R1245 PolarHBondContact O-N 3.44Å; R1245-L1248 WeakPolarHBondContact O-CB 3.43Å; R1245-F1249 PolarHBondContact O-N 3.44Å |
| 1246 | E | 38.6 | Very low | 42 | Very low | 51 Ų | 51 | 66.2 Ų | 66.2 | 24% | 0.238 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.2 | -46.2 | 173.2 | -72.7 | 168.7 | 170.2 | 0 | 0 | 112.4 | A1242 E1244 F1249 G1250 K1318 | A1242-E1246 WeakPolarHBondContact O-CG 3.41Å; A1242-E1246 PolarHBondContact O-N 3.34Å; E1244-E1246 VanDerWaalsContact C-N 3.27Å; E1244-E1246 PolarHBondContact O-N 2.9Å; E1246-F1249 PolarHBondContact O-N 3.28Å; E1246-G1250 PolarHBondContact O-N 2.92Å; E1246-K1318 IonicContact OE2-NZ 3.69Å; E1246-K1318 PolarHBondContact OE2-NZ 3.27Å |
| 1247 | Q | 37.4 | Very low | 42.5 | Very low | 129 Ų | 129 | 68.7 Ų | 68.7 | 60% | 0.603 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -65.5 | -40.8 | 176.8 | -69.1 | -177.2 | -4.8 | 0 | 0 | 111.4 | E1244 F1249 G1250 V1251 | E1244-Q1247 PolarHBondContact O-N 2.91Å; Q1247-F1249 VanDerWaalsContact C-N 3.35Å; Q1247-F1249 PolarHBondContact O-N 2.74Å; Q1247-G1250 PolarHBondContact O-N 2.98Å; Q1247-V1251 WeakPolarHBondContact O-CG2 3.09Å; Q1247-V1251 PolarHBondContact O-N 3.18Å; Q1247-V1251 VanDerWaalsContact O-N 3.08Å |
| 1248 | L | 37.2 | Very low | 42.9 | Very low | 43 Ų | 43 | 70.4 Ų | 70.4 | 23% | 0.225 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.6 | -42.5 | 174.2 | -88.9 | 159.7 | 0 | 0 | 0 | 112.8 | V1240 E1244 R1245 G1250 V1251 G1252 F1363 | V1240-L1248 HydrophobicContact CB-CD1 4.46Å; V1240-L1248 HydrophobicContact CG1-CD1 3.77Å; E1244-L1248 WeakPolarHBondContact O-CB 3.38Å; E1244-L1248 WeakPolarHBondContact O-CD1 3.13Å; E1244-L1248 WeakPolarHBondContact O-CG 3.44Å; E1244-L1248 PolarHBondContact O-N 2.96Å; R1245-L1248 WeakPolarHBondContact O-CB 3.43Å; L1248-G1250 VanDerWaalsContact C-N 3.35Å; L1248-G1250 PolarHBondContact O-N 2.76Å; L1248-V1251 PolarHBondContact O-N 3.15Å; L1248-G1252 PolarHBondContact O-N 3.33Å; L1248-F1363 HydrophobicContact CD2-CE1 3.69Å; L1248-F1363 HydrophobicContact CD2-CE2 4.36Å; L1248-F1363 HydrophobicContact CD2-CZ 3.37Å; L1248-F1363 HydrophobicContact CG-CZ 4.25Å |
| 1249 | F | 38.5 | Very low | 43.3 | Very low | 114 Ų | 114 | 65.8 Ų | 65.8 | 50% | 0.5 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.6 | -45.1 | 178.7 | -124.5 | -83.9 | 0 | 0 | 0 | 111.6 | F1234 R1245 E1246 Q1247 L1253 | F1234-F1249 HydrophobicContact CD1-CD2 4.23Å; F1234-F1249 HydrophobicContact CD1-CE1 4.49Å; F1234-F1249 HydrophobicContact CD1-CE2 4.17Å; F1234-F1249 HydrophobicContact CD1-CG 4.43Å; F1234-F1249 HydrophobicContact CD1-CZ 4.3Å; F1234-F1249 HydrophobicContact CE1-CD1 4.34Å; F1234-F1249 HydrophobicContact CE1-CG 4.44Å; R1245-F1249 PolarHBondContact O-N 3.44Å; E1246-F1249 PolarHBondContact O-N 3.28Å; Q1247-F1249 VanDerWaalsContact C-N 3.35Å; Q1247-F1249 PolarHBondContact O-N 2.74Å; F1249-L1253 VanDerWaalsContact O-CB 3.26Å; F1249-L1253 WeakPolarHBondContact O-CB 3.41Å; F1249-L1253 PolarHBondContact O-N 2.99Å; F1249-L1253 VanDerWaalsContact O-N 3.09Å |
| 1250 | G | 40.3 | Very low | 43.7 | Very low | 36 Ų | 36 | 61.9 Ų | 61.9 | 37% | 0.371 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.6 | -43.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E1246 Q1247 L1248 R1254 | E1246-G1250 PolarHBondContact O-N 2.92Å; Q1247-G1250 PolarHBondContact O-N 2.98Å; L1248-G1250 VanDerWaalsContact C-N 3.35Å; L1248-G1250 PolarHBondContact O-N 2.76Å; G1250-R1254 WeakPolarHBondContact O-CB 3.43Å; G1250-R1254 VanDerWaalsContact O-CG 3.26Å; G1250-R1254 WeakPolarHBondContact O-CG 3.39Å; G1250-R1254 PolarHBondContact O-N 3.32Å; G1250-R1254 VanDerWaalsContact O-N 3.1Å |
| 1251 | V | 39.5 | Very low | 44.2 | Very low | 47 Ų | 47 | 63 Ų | 63 | 29% | 0.285 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -69.2 | -48.1 | -179.9 | 176.6 | 0 | 0 | 0 | 0 | 111.2 | Q1247 L1248 L1253 R1254 Q1255 Y1359 | Q1247-V1251 WeakPolarHBondContact O-CG2 3.09Å; Q1247-V1251 PolarHBondContact O-N 3.18Å; Q1247-V1251 VanDerWaalsContact O-N 3.08Å; L1248-V1251 PolarHBondContact O-N 3.15Å; V1251-L1253 PolarHBondContact O-N 3.34Å; V1251-R1254 PolarHBondContact O-N 3.21Å; V1251-Q1255 HydrophobicContact CG1-CG 4.27Å; V1251-Q1255 WeakPolarHBondContact O-CB 3.31Å; V1251-Q1255 VanDerWaalsContact O-CG 3.28Å; V1251-Q1255 WeakPolarHBondContact O-CG 3.45Å; V1251-Q1255 PolarHBondContact O-N 2.75Å; V1251-Y1359 HydrophobicContact CG1-CE1 4.3Å |
| 1252 | G | 43.6 | Very low | 44.3 | Very low | 10 Ų | 10 | 65.3 Ų | 65.3 | 10% | 0.103 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.3 | -39.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1248 K1256 | L1248-G1252 PolarHBondContact O-N 3.33Å; G1252-K1256 VanDerWaalsContact O-CB 3.31Å; G1252-K1256 WeakPolarHBondContact O-CB 3.35Å; G1252-K1256 PolarHBondContact O-N 2.99Å |
| 1253 | L | 46.7 | Very low | 44.3 | Very low | 77 Ų | 77 | 63 Ų | 63 | 40% | 0.403 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -69.3 | -41.2 | 175.9 | -173.3 | 68.3 | 0 | 0 | 0 | 112 | F1249 V1251 K1256 K1257 | F1249-L1253 VanDerWaalsContact O-CB 3.26Å; F1249-L1253 WeakPolarHBondContact O-CB 3.41Å; F1249-L1253 PolarHBondContact O-N 2.99Å; F1249-L1253 VanDerWaalsContact O-N 3.09Å; V1251-L1253 PolarHBondContact O-N 3.34Å; L1253-K1256 PolarHBondContact O-N 3.36Å; L1253-K1257 WeakPolarHBondContact O-CB 3.29Å; L1253-K1257 WeakPolarHBondContact O-CG 3.12Å; L1253-K1257 PolarHBondContact O-N 3.34Å |
| 1254 | R | 45.7 | Very low | 44.5 | Very low | 161 Ų | 161 | 61.6 Ų | 61.6 | 61% | 0.608 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -64.8 | -40.7 | 174.8 | -77.6 | 179.5 | -178.4 | -176.6 | 0.7 | 111.6 | G1250 V1251 K1257 F1258 | G1250-R1254 WeakPolarHBondContact O-CB 3.43Å; G1250-R1254 VanDerWaalsContact O-CG 3.26Å; G1250-R1254 WeakPolarHBondContact O-CG 3.39Å; G1250-R1254 PolarHBondContact O-N 3.32Å; G1250-R1254 VanDerWaalsContact O-N 3.1Å; V1251-R1254 PolarHBondContact O-N 3.21Å; R1254-K1257 PolarHBondContact O-N 3.47Å; R1254-F1258 WeakPolarHBondContact O-CB 3.31Å; R1254-F1258 PolarHBondContact O-N 3.47Å |
| 1255 | Q | 46 | Very low | 44.7 | Very low | 35 Ų | 35 | 63.1 Ų | 63.1 | 16% | 0.164 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.8 | -48.8 | 174.3 | -77.6 | 176.2 | -11.6 | 0 | 0 | 111.2 | V1251 K1257 F1258 I1259 L1356 | V1251-Q1255 HydrophobicContact CG1-CG 4.27Å; V1251-Q1255 WeakPolarHBondContact O-CB 3.31Å; V1251-Q1255 VanDerWaalsContact O-CG 3.28Å; V1251-Q1255 WeakPolarHBondContact O-CG 3.45Å; V1251-Q1255 PolarHBondContact O-N 2.75Å; Q1255-K1257 VanDerWaalsContact C-N 3.35Å; Q1255-K1257 PolarHBondContact O-N 3.14Å; Q1255-F1258 PolarHBondContact O-N 3.14Å; Q1255-I1259 WeakPolarHBondContact O-CB 3.02Å; Q1255-I1259 WeakPolarHBondContact O-CD1 3.36Å; Q1255-I1259 WeakPolarHBondContact O-CG1 3.33Å; Q1255-I1259 PolarHBondContact O-N 2.99Å; Q1255-L1356 HydrophobicContact CB-CD1 3.77Å; Q1255-L1356 HydrophobicContact CG-CD1 3.78Å |
| 1256 | K | 50.3 | Low | 44.7 | Very low | 24 Ų | 24 | 61 Ų | 61 | 10% | 0.104 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -53 | -51.5 | 172.7 | -178 | -169.5 | 179.1 | -179.2 | 0 | 111 | N1226 F1229 D1230 G1252 L1253 I1259 I1260 | N1226-K1256 WeakPolarHBondContact OD1-CE 3.18Å; N1226-K1256 PolarHBondContact OD1-NZ 2.79Å; F1229-K1256 HydrophobicContact CB-CB 4.24Å; F1229-K1256 HydrophobicContact CB-CD 3.85Å; F1229-K1256 HydrophobicContact CB-CG 3.96Å; F1229-K1256 HydrophobicContact CD1-CB 4.12Å; F1229-K1256 HydrophobicContact CD2-CB 4.22Å; F1229-K1256 HydrophobicContact CD2-CG 3.95Å; F1229-K1256 HydrophobicContact CG-CB 3.92Å; F1229-K1256 HydrophobicContact CG-CD 4.37Å; F1229-K1256 HydrophobicContact CG-CG 3.92Å; D1230-K1256 IonicContact OD1-NZ 3.83Å; D1230-K1256 PolarHBondContact OD1-NZ 2.95Å; D1230-K1256 IonicContact OD2-NZ 3.96Å; D1230-K1256 PolarHBondContact OD2-NZ 3.17Å; G1252-K1256 VanDerWaalsContact O-CB 3.31Å; G1252-K1256 WeakPolarHBondContact O-CB 3.35Å; G1252-K1256 PolarHBondContact O-N 2.99Å; L1253-K1256 PolarHBondContact O-N 3.36Å; K1256-I1259 PolarHBondContact O-N 3.4Å; K1256-I1260 HydrophobicContact CD-CD1 4.29Å; K1256-I1260 HydrophobicContact CG-CD1 3.77Å; K1256-I1260 HydrophobicContact CG-CG1 4.46Å; K1256-I1260 WeakPolarHBondContact O-CB 3.26Å; K1256-I1260 VanDerWaalsContact O-CG1 3.26Å; K1256-I1260 WeakPolarHBondContact O-CG1 3.31Å; K1256-I1260 PolarHBondContact O-N 3.42Å |
| 1257 | K | 49.9 | Very low | 44.9 | Very low | 71 Ų | 71 | 59.4 Ų | 59.4 | 31% | 0.309 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 178.4 | -79.6 | -173.6 | 172.6 | -172.6 | 0 | 111.6 | L1253 R1254 Q1255 I1259 I1260 A1261 D1430 | L1253-K1257 WeakPolarHBondContact O-CB 3.29Å; L1253-K1257 WeakPolarHBondContact O-CG 3.12Å; L1253-K1257 PolarHBondContact O-N 3.34Å; R1254-K1257 PolarHBondContact O-N 3.47Å; Q1255-K1257 VanDerWaalsContact C-N 3.35Å; Q1255-K1257 PolarHBondContact O-N 3.14Å; K1257-I1259 PolarHBondContact O-N 2.88Å; K1257-I1260 PolarHBondContact O-N 3.14Å; K1257-A1261 WeakPolarHBondContact O-CB 3.5Å; K1257-A1261 PolarHBondContact O-N 2.67Å; K1257-D1430 IonicContact NZ-OD2 3.01Å; K1257-D1430 PolarHBondContact NZ-OD2 3.03Å |
| 1258 | F | 48.4 | Very low | 45.2 | Very low | 96 Ų | 96 | 56.5 Ų | 56.5 | 42% | 0.421 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 178.4 | 175.7 | -100 | 0 | 0 | 0 | 111.9 | R1254 Q1255 K1262 P1352 | R1254-F1258 WeakPolarHBondContact O-CB 3.31Å; R1254-F1258 PolarHBondContact O-N 3.47Å; Q1255-F1258 PolarHBondContact O-N 3.14Å; F1258-K1262 HydrophobicContact CE1-CG 4.22Å; F1258-K1262 HydrophobicContact CE2-CG 4.19Å; F1258-K1262 HydrophobicContact CZ-CG 4Å; F1258-K1262 VanDerWaalsContact O-CB 3.28Å; F1258-K1262 WeakPolarHBondContact O-CB 3.24Å; F1258-K1262 PolarHBondContact O-N 2.93Å; F1258-P1352 HydrophobicContact CE1-CB 3.68Å; F1258-P1352 HydrophobicContact CZ-CB 4Å |
| 1259 | I | 48.8 | Very low | 45.5 | Very low | 9 Ų | 9 | 59.8 Ų | 59.8 | 5% | 0.046 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.4 | -48.2 | 176.1 | -64.2 | 155.5 | 0 | 0 | 0 | 110 | L1225 F1229 Q1255 K1256 K1257 A1261 K1262 L1263 L1353 L1356 | L1225-I1259 HydrophobicContact CD1-CG2 4.48Å; F1229-I1259 HydrophobicContact CE1-CD1 4.11Å; F1229-I1259 HydrophobicContact CE2-CD1 3.71Å; F1229-I1259 HydrophobicContact CZ-CD1 3.25Å; Q1255-I1259 WeakPolarHBondContact O-CB 3.02Å; Q1255-I1259 WeakPolarHBondContact O-CD1 3.36Å; Q1255-I1259 WeakPolarHBondContact O-CG1 3.33Å; Q1255-I1259 PolarHBondContact O-N 2.99Å; K1256-I1259 PolarHBondContact O-N 3.4Å; K1257-I1259 PolarHBondContact O-N 2.88Å; I1259-A1261 VanDerWaalsContact C-N 3.33Å; I1259-A1261 PolarHBondContact O-N 3.09Å; I1259-K1262 PolarHBondContact O-N 2.73Å; I1259-L1263 HydrophobicContact CG2-CD1 3.47Å; I1259-L1263 VanDerWaalsContact CG2-CD1 3.47Å; I1259-L1263 HydrophobicContact CG2-CG 4.13Å; I1259-L1263 WeakPolarHBondContact O-CB 3.35Å; I1259-L1263 WeakPolarHBondContact O-CD1 3.16Å; I1259-L1263 WeakPolarHBondContact O-CG 3.42Å; I1259-L1263 PolarHBondContact O-N 2.92Å; I1259-L1353 HydrophobicContact CG2-CD1 4.23Å; I1259-L1356 HydrophobicContact CD1-CD1 3.68Å; I1259-L1356 HydrophobicContact CD1-CD2 3.2Å; I1259-L1356 HydrophobicContact CD1-CG 3.98Å; I1259-L1356 HydrophobicContact CG1-CD1 4.27Å; I1259-L1356 HydrophobicContact CG1-CD2 3.94Å |
| 1260 | I | 50.7 | Low | 45.7 | Very low | 19 Ų | 19 | 59.2 Ų | 59.2 | 10% | 0.097 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61 | -42.1 | 178.1 | -69.4 | 173.6 | 0 | 0 | 0 | 111 | K1256 K1257 L1263 S1264 V1277 | K1256-I1260 HydrophobicContact CD-CD1 4.29Å; K1256-I1260 HydrophobicContact CG-CD1 3.77Å; K1256-I1260 HydrophobicContact CG-CG1 4.46Å; K1256-I1260 WeakPolarHBondContact O-CB 3.26Å; K1256-I1260 VanDerWaalsContact O-CG1 3.26Å; K1256-I1260 WeakPolarHBondContact O-CG1 3.31Å; K1256-I1260 PolarHBondContact O-N 3.42Å; K1257-I1260 PolarHBondContact O-N 3.14Å; I1260-L1263 WeakPolarHBondContact O-CB 3.36Å; I1260-L1263 PolarHBondContact O-N 3.06Å; I1260-S1264 PolarHBondContact O-N 2.96Å; I1260-S1264 PolarHBondContact O-OG 3.35Å; I1260-V1277 HydrophobicContact CG2-CG1 3.91Å; I1260-V1277 HydrophobicContact CG2-CG2 4.1Å |
| 1261 | A | 49.9 | Very low | 45.9 | Very low | 48 Ų | 48 | 63.5 Ų | 63.5 | 40% | 0.397 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -70 | -36.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K1257 I1259 L1263 S1264 H1265 | K1257-A1261 WeakPolarHBondContact O-CB 3.5Å; K1257-A1261 PolarHBondContact O-N 2.67Å; I1259-A1261 VanDerWaalsContact C-N 3.33Å; I1259-A1261 PolarHBondContact O-N 3.09Å; A1261-L1263 VanDerWaalsContact C-N 3.34Å; A1261-S1264 WeakPolarHBondContact CA-OG 3.32Å; A1261-S1264 PolarHBondContact O-OG 2.98Å; A1261-H1265 PolarHBondContact O-CD2 3.33Å; A1261-H1265 PolarHBondContact O-N 3.46Å |
| 1262 | K | 46.7 | Very low | 46.1 | Very low | 98 Ų | 98 | 63.2 Ų | 63.2 | 43% | 0.426 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -68.9 | -35.2 | 171.4 | -87 | -68.4 | -168.5 | -177.3 | 0 | 111.7 | F1258 I1259 L1266 P1352 | F1258-K1262 HydrophobicContact CE1-CG 4.22Å; F1258-K1262 HydrophobicContact CE2-CG 4.19Å; F1258-K1262 HydrophobicContact CZ-CG 4Å; F1258-K1262 VanDerWaalsContact O-CB 3.28Å; F1258-K1262 WeakPolarHBondContact O-CB 3.24Å; F1258-K1262 PolarHBondContact O-N 2.93Å; I1259-K1262 PolarHBondContact O-N 2.73Å; K1262-L1266 VanDerWaalsContact O-CG 3.26Å; K1262-L1266 WeakPolarHBondContact O-CG 3.44Å; K1262-P1352 HydrophobicContact CD-CG 3.78Å; K1262-P1352 HydrophobicContact CG-CB 4.18Å; K1262-P1352 HydrophobicContact CG-CG 3.92Å |
| 1263 | L | 47.7 | Very low | 46.1 | Very low | 14 Ų | 14 | 64.5 Ų | 64.5 | 7% | 0.073 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69.6 | -41.6 | 176.9 | -79.8 | 165 | 0 | 0 | 0 | 112.2 | M1193 F1222 L1225 I1259 I1260 A1261 H1265 L1266 | M1193-L1263 HydrophobicContact CE-CD2 4.15Å; M1193-L1263 HydrophobicContact CG-CD2 3.87Å; M1193-L1263 HydrophobicContact SD-CD2 3.09Å; M1193-L1263 WeakPolarHBondContact SD-CD2 3.19Å; M1193-L1263 HydrophobicContact SD-CG 4.23Å; F1222-L1263 HydrophobicContact CD1-CD1 4.05Å; F1222-L1263 HydrophobicContact CE1-CB 3.51Å; F1222-L1263 HydrophobicContact CE1-CD1 3.58Å; F1222-L1263 HydrophobicContact CE1-CG 4.1Å; F1222-L1263 HydrophobicContact CZ-CB 3.54Å; F1222-L1263 HydrophobicContact CZ-CD1 4.26Å; F1222-L1263 HydrophobicContact CZ-CG 4.36Å; L1225-L1263 HydrophobicContact CD1-CD1 3.34Å; I1259-L1263 HydrophobicContact CG2-CD1 3.47Å; I1259-L1263 VanDerWaalsContact CG2-CD1 3.47Å; I1259-L1263 HydrophobicContact CG2-CG 4.13Å; I1259-L1263 WeakPolarHBondContact O-CB 3.35Å; I1259-L1263 WeakPolarHBondContact O-CD1 3.16Å; I1259-L1263 WeakPolarHBondContact O-CG 3.42Å; I1259-L1263 PolarHBondContact O-N 2.92Å; I1260-L1263 WeakPolarHBondContact O-CB 3.36Å; I1260-L1263 PolarHBondContact O-N 3.06Å; A1261-L1263 VanDerWaalsContact C-N 3.34Å; L1263-H1265 VanDerWaalsContact C-N 3.3Å; L1263-H1265 PolarHBondContact O-N 2.86Å; L1263-L1266 WeakPolarHBondContact O-CB 3Å; L1263-L1266 PolarHBondContact O-N 2.9Å; L1263-L1266 VanDerWaalsContact O-N 3.09Å |
| 1264 | S | 47.3 | Very low | 45.9 | Very low | 23 Ų | 23 | 63.8 Ų | 63.8 | 16% | 0.161 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.1 | -45.7 | 177.7 | 60.5 | 0 | 0 | 0 | 0 | 110.2 | I1260 A1261 L1266 C1267 E1273 | I1260-S1264 PolarHBondContact O-N 2.96Å; I1260-S1264 PolarHBondContact O-OG 3.35Å; A1261-S1264 WeakPolarHBondContact CA-OG 3.32Å; A1261-S1264 PolarHBondContact O-OG 2.98Å; S1264-L1266 PolarHBondContact O-N 3.4Å; S1264-C1267 PolarHBondContact O-N 3.01Å; S1264-E1273 WeakPolarHBondContact O-CB 3.47Å; S1264-E1273 WeakPolarHBondContact O-CG 3.38Å |
| 1265 | H | 44.4 | Very low | 45.9 | Very low | 132 Ų | 132 | 56.3 Ų | 56.3 | 61% | 0.611 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -6.7 | 176 | -79.2 | -50.2 | 0 | 0 | 0 | 116.4 | A1261 L1263 E1273 | A1261-H1265 PolarHBondContact O-CD2 3.33Å; A1261-H1265 PolarHBondContact O-N 3.46Å; L1263-H1265 VanDerWaalsContact C-N 3.3Å; L1263-H1265 PolarHBondContact O-N 2.86Å; H1265-E1273 WeakPolarHBondContact CA-OE1 3.5Å; H1265-E1273 IonicContact ND1-OE1 2.71Å; H1265-E1273 IonicContact ND1-OE2 3.43Å |
| 1266 | L | 40.8 | Very low | 45.9 | Very low | 45 Ų | 45 | 54.7 Ų | 54.7 | 24% | 0.236 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -21.3 | -179.6 | -69.3 | 167.4 | 0 | 0 | 0 | 113.3 | M1193 K1262 L1263 S1264 G1268 | M1193-L1266 HydrophobicContact SD-CD1 3.75Å; K1262-L1266 VanDerWaalsContact O-CG 3.26Å; K1262-L1266 WeakPolarHBondContact O-CG 3.44Å; L1263-L1266 WeakPolarHBondContact O-CB 3Å; L1263-L1266 PolarHBondContact O-N 2.9Å; L1263-L1266 VanDerWaalsContact O-N 3.09Å; S1264-L1266 PolarHBondContact O-N 3.4Å; L1266-G1268 PolarHBondContact O-N 2.89Å; L1266-G1268 VanDerWaalsContact O-N 3.15Å |
| 1267 | C | 43.4 | Very low | 45.6 | Very low | 16 Ų | 16 | 54.5 Ų | 54.5 | 11% | 0.108 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -78.9 | 90.3 | 168.4 | -69.1 | 0 | 0 | 0 | 0 | 107.4 | Q1196 S1264 H1269 E1273 | Q1196-C1267 PolarHBondContact NE2-SG 3.17Å; Q1196-C1267 VanDerWaalsContact NE2-SG 3.43Å; S1264-C1267 PolarHBondContact O-N 3.01Å; C1267-H1269 PolarHBondContact O-N 3.3Å; C1267-E1273 HydrophobicContact CB-CG 4.46Å; C1267-E1273 WeakPolarHBondContact O-CG 3.49Å |
| 1268 | G | 43 | Very low | 45.3 | Very low | 68 Ų | 68 | 54.1 Ų | 54.1 | 70% | 0.701 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -59 | 14.2 | -167.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | L1266 | L1266-G1268 PolarHBondContact O-N 2.89Å; L1266-G1268 VanDerWaalsContact O-N 3.15Å |
| 1269 | H | 44.4 | Very low | 45.1 | Very low | 112 Ų | 112 | 49.8 Ų | 49.8 | 52% | 0.519 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -115.6 | 115 | 169.6 | -66.1 | -65.2 | 0 | 0 | 0 | 109.2 | C1267 E1271 D1272 E1273 | C1267-H1269 PolarHBondContact O-N 3.3Å; H1269-E1271 PolarHBondContact O-N 3.45Å; H1269-D1272 HydrophobicContact CB-CB 4.34Å; H1269-D1272 PolarHBondContact O-N 3.25Å; H1269-E1273 WeakPolarHBondContact O-CG 3.41Å; H1269-E1273 PolarHBondContact O-N 3.39Å |
| 1270 | S | 42.2 | Very low | 44.9 | Very low | 103 Ų | 103 | 49.4 Ų | 49.4 | 72% | 0.72 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -22.3 | -175.4 | 58.1 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1271 | E | 44.1 | Very low | 44.6 | Very low | 125 Ų | 125 | 55.2 Ų | 55.2 | 58% | 0.584 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -29.8 | 178.5 | -67 | -174 | 175.1 | 0 | 0 | 113.4 | H1269 | H1269-E1271 PolarHBondContact O-N 3.45Š|
| 1272 | D | 43.8 | Very low | 44.4 | Very low | 41 Ų | 41 | 54.5 Ų | 54.5 | 22% | 0.219 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -78.9 | -24.6 | 179.3 | -85.1 | 13.2 | 0 | 0 | 0 | 112.6 | Q1215 H1269 L1274 Q1275 T1276 | Q1215-D1272 VanDerWaalsContact NE2-CG 3.32Å; Q1215-D1272 PolarHBondContact NE2-OD2 3.28Å; H1269-D1272 HydrophobicContact CB-CB 4.34Å; H1269-D1272 PolarHBondContact O-N 3.25Å; D1272-L1274 VanDerWaalsContact C-N 3.33Å; D1272-L1274 PolarHBondContact O-N 3.46Å; D1272-Q1275 PolarHBondContact O-N 3.23Å; D1272-T1276 PolarHBondContact O-N 3.39Å; D1272-T1276 PolarHBondContact O-OG1 2.96Å |
| 1273 | E | 43.9 | Very low | 44.3 | Very low | 37 Ų | 37 | 51.2 Ų | 51.2 | 17% | 0.173 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.2 | -43.9 | -178.4 | -57.1 | -163 | 178.4 | 0 | 0 | 111.9 | S1264 H1265 C1267 H1269 V1277 | S1264-E1273 WeakPolarHBondContact O-CB 3.47Å; S1264-E1273 WeakPolarHBondContact O-CG 3.38Å; H1265-E1273 WeakPolarHBondContact CA-OE1 3.5Å; H1265-E1273 IonicContact ND1-OE1 2.71Å; H1265-E1273 IonicContact ND1-OE2 3.43Å; C1267-E1273 HydrophobicContact CB-CG 4.46Å; C1267-E1273 WeakPolarHBondContact O-CG 3.49Å; H1269-E1273 WeakPolarHBondContact O-CG 3.41Å; H1269-E1273 PolarHBondContact O-N 3.39Å; E1273-V1277 WeakPolarHBondContact O-CG2 3.28Å |
| 1274 | L | 43.1 | Very low | 44 | Very low | 62 Ų | 62 | 50.9 Ų | 50.9 | 33% | 0.325 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -75.8 | -37.3 | -177 | -168.4 | 68.9 | 0 | 0 | 0 | 112 | D1272 T1276 V1277 I1278 | D1272-L1274 VanDerWaalsContact C-N 3.33Å; D1272-L1274 PolarHBondContact O-N 3.46Å; L1274-T1276 PolarHBondContact O-N 3.23Å; L1274-V1277 PolarHBondContact O-N 3.31Å; L1274-I1278 HydrophobicContact CD1-CD1 4.26Å; L1274-I1278 HydrophobicContact CD2-CD1 4.29Å; L1274-I1278 HydrophobicContact CG-CD1 3.77Å; L1274-I1278 HydrophobicContact CG-CG1 4.49Å; L1274-I1278 VanDerWaalsContact O-CG1 3.28Å; L1274-I1278 WeakPolarHBondContact O-CG1 3.12Å; L1274-I1278 PolarHBondContact O-N 2.9Å; L1274-I1278 VanDerWaalsContact O-N 3.09Å |
| 1275 | Q | 46.1 | Very low | 43.8 | Very low | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.019 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62 | -43.6 | -178.4 | -69 | 175.5 | 2.9 | 0 | 0 | 112.2 | D1272 S1279 S1648 I1651 | D1272-Q1275 PolarHBondContact O-N 3.23Å; Q1275-S1279 WeakPolarHBondContact O-CB 3.46Å; Q1275-S1279 PolarHBondContact O-N 3.05Å; Q1275-S1279 VanDerWaalsContact O-N 3.11Å; Q1275-S1279 PolarHBondContact O-OG 3.43Å; Q1275-S1648 VanDerWaalsContact CD-OG 3.3Å; Q1275-S1648 PolarHBondContact NE2-O 3.12Å; Q1275-S1648 PolarHBondContact OE1-OG 3.27Å; Q1275-I1651 HydrophobicContact CB-CD1 4.43Å; Q1275-I1651 HydrophobicContact CG-CB 4.37Å; Q1275-I1651 HydrophobicContact CG-CD1 3.6Å; Q1275-I1651 HydrophobicContact CG-CG2 4.35Å |
| 1276 | T | 44.9 | Very low | 43.7 | Very low | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -71.5 | -37.1 | -177.1 | -44.3 | 0 | 0 | 0 | 0 | 112.1 | A1218 I1219 F1222 D1272 L1274 S1279 S1280 | A1218-T1276 HydrophobicContact CB-CG2 3.7Å; I1219-T1276 HydrophobicContact CG1-CG2 4.21Å; F1222-T1276 HydrophobicContact CD2-CG2 3.59Å; F1222-T1276 HydrophobicContact CE2-CG2 3.51Å; D1272-T1276 PolarHBondContact O-N 3.39Å; D1272-T1276 PolarHBondContact O-OG1 2.96Å; L1274-T1276 PolarHBondContact O-N 3.23Å; T1276-S1279 WeakPolarHBondContact CA-OG 3.15Å; T1276-S1279 PolarHBondContact O-OG 2.74Å; T1276-S1280 PolarHBondContact O-N 2.95Å; T1276-S1280 PolarHBondContact O-OG 3.24Å |
| 1277 | V | 44.1 | Very low | 43.8 | Very low | 19 Ų | 19 | 47.3 Ų | 47.3 | 12% | 0.115 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.2 | -40.5 | 177.1 | 176.1 | 0 | 0 | 0 | 0 | 111.5 | F1222 I1260 E1273 L1274 S1280 R1281 | F1222-V1277 HydrophobicContact CE1-CG2 4.32Å; F1222-V1277 HydrophobicContact CZ-CG2 4.25Å; I1260-V1277 HydrophobicContact CG2-CG1 3.91Å; I1260-V1277 HydrophobicContact CG2-CG2 4.1Å; E1273-V1277 WeakPolarHBondContact O-CG2 3.28Å; L1274-V1277 PolarHBondContact O-N 3.31Å; V1277-S1280 PolarHBondContact O-OG 2.92Å; V1277-R1281 WeakPolarHBondContact O-CG 3.29Å; V1277-R1281 PolarHBondContact O-N 2.69Å |
| 1278 | I | 43.1 | Very low | 43.7 | Very low | 63 Ų | 63 | 47.9 Ų | 47.9 | 32% | 0.323 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.1 | -47.8 | 178.6 | -69.2 | 170.6 | 0 | 0 | 0 | 110.9 | L1274 S1280 R1281 T1282 I1647 I1651 | L1274-I1278 HydrophobicContact CD1-CD1 4.26Å; L1274-I1278 HydrophobicContact CD2-CD1 4.29Å; L1274-I1278 HydrophobicContact CG-CD1 3.77Å; L1274-I1278 HydrophobicContact CG-CG1 4.49Å; L1274-I1278 VanDerWaalsContact O-CG1 3.28Å; L1274-I1278 WeakPolarHBondContact O-CG1 3.12Å; L1274-I1278 PolarHBondContact O-N 2.9Å; L1274-I1278 VanDerWaalsContact O-N 3.09Å; I1278-S1280 PolarHBondContact O-N 3.36Å; I1278-R1281 WeakPolarHBondContact O-CB 3.41Å; I1278-R1281 PolarHBondContact O-N 2.81Å; I1278-T1282 PolarHBondContact O-N 3.26Å; I1278-I1647 HydrophobicContact CG2-CG2 4.3Å; I1278-I1651 HydrophobicContact CD1-CD1 4.11Å |
| 1279 | S | 44.8 | Very low | 43.4 | Very low | 6 Ų | 6 | 52.2 Ų | 52.2 | 4% | 0.042 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.7 | -44.3 | -177.6 | 50.8 | 0 | 0 | 0 | 0 | 112.6 | Q1275 T1276 R1281 T1282 V1283 L1644 | Q1275-S1279 WeakPolarHBondContact O-CB 3.46Å; Q1275-S1279 PolarHBondContact O-N 3.05Å; Q1275-S1279 VanDerWaalsContact O-N 3.11Å; Q1275-S1279 PolarHBondContact O-OG 3.43Å; T1276-S1279 WeakPolarHBondContact CA-OG 3.15Å; T1276-S1279 PolarHBondContact O-OG 2.74Å; S1279-R1281 VanDerWaalsContact C-N 3.3Å; S1279-R1281 PolarHBondContact O-N 2.78Å; S1279-T1282 PolarHBondContact O-N 3.36Å; S1279-T1282 PolarHBondContact O-OG1 3.15Å; S1279-V1283 PolarHBondContact O-N 3.47Å; S1279-L1644 WeakPolarHBondContact OG-CD1 3.29Å |
| 1280 | S | 44.9 | Very low | 43.1 | Very low | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.007 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.8 | -34.1 | 177 | 66.1 | 0 | 0 | 0 | 0 | 113.9 | F1222 T1276 V1277 I1278 T1282 | F1222-S1280 WeakPolarHBondContact CB-OG 3.33Å; T1276-S1280 PolarHBondContact O-N 2.95Å; T1276-S1280 PolarHBondContact O-OG 3.24Å; V1277-S1280 PolarHBondContact O-OG 2.92Å; I1278-S1280 PolarHBondContact O-N 3.36Å; S1280-T1282 VanDerWaalsContact C-N 3.29Å; S1280-T1282 PolarHBondContact O-N 3.31Å |
| 1281 | R | 43.9 | Very low | 43 | Very low | 140 Ų | 140 | 47.1 Ų | 47.1 | 53% | 0.528 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.6 | -31 | 172.4 | -73.3 | 180 | 177.2 | -176.6 | 3.3 | 112 | V1277 I1278 S1279 G1285 | V1277-R1281 WeakPolarHBondContact O-CG 3.29Å; V1277-R1281 PolarHBondContact O-N 2.69Å; I1278-R1281 WeakPolarHBondContact O-CB 3.41Å; I1278-R1281 PolarHBondContact O-N 2.81Å; S1279-R1281 VanDerWaalsContact C-N 3.3Å; S1279-R1281 PolarHBondContact O-N 2.78Å; R1281-G1285 WeakPolarHBondContact O-CA 3.31Å; R1281-G1285 PolarHBondContact O-N 2.82Å |
| 1282 | T | 44.9 | Very low | 42.6 | Very low | 33 Ų | 33 | 47.1 Ų | 47.1 | 20% | 0.202 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -72.5 | -40.1 | -179.5 | 66.2 | 0 | 0 | 0 | 0 | 113.2 | I1278 S1279 S1280 Q1286 | I1278-T1282 PolarHBondContact O-N 3.26Å; S1279-T1282 PolarHBondContact O-N 3.36Å; S1279-T1282 PolarHBondContact O-OG1 3.15Å; S1280-T1282 VanDerWaalsContact C-N 3.29Å; S1280-T1282 PolarHBondContact O-N 3.31Å; T1282-Q1286 WeakPolarHBondContact O-CB 3.41Å; T1282-Q1286 PolarHBondContact O-N 3.16Å; T1282-Q1286 VanDerWaalsContact O-N 3.17Å |
| 1283 | V | 44.8 | Very low | 42.1 | Very low | 29 Ų | 29 | 53.3 Ų | 53.3 | 18% | 0.176 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.3 | -50.9 | -179.1 | 179.2 | 0 | 0 | 0 | 0 | 110.7 | S1279 L1523 | S1279-V1283 PolarHBondContact O-N 3.47Å; V1283-L1523 HydrophobicContact CG1-CD2 3.99Å |
| 1284 | V | 43.1 | Very low | 41.6 | Very low | 7 Ų | 7 | 58.1 Ų | 58.1 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -81.6 | -39.5 | -178.7 | -175.7 | 0 | 0 | 0 | 0 | 111.4 | A1223 N1226 H1287 I1288 | A1223-V1284 HydrophobicContact CB-CG2 3.86Å; N1226-V1284 HydrophobicContact CB-CB 4.35Å; N1226-V1284 HydrophobicContact CB-CG1 4.39Å; N1226-V1284 HydrophobicContact CB-CG2 4.15Å; V1284-H1287 PolarHBondContact O-N 3.38Å; V1284-I1288 HydrophobicContact CG1-CD1 3.67Å; V1284-I1288 HydrophobicContact CG1-CG1 4.16Å; V1284-I1288 WeakPolarHBondContact O-CG1 3.32Å; V1284-I1288 PolarHBondContact O-N 2.88Å |
| 1285 | G | 42.4 | Very low | 41.2 | Very low | 34 Ų | 34 | 62.7 Ų | 62.7 | 35% | 0.351 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.3 | -42.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | R1281 H1287 I1288 W1289 | R1281-G1285 WeakPolarHBondContact O-CA 3.31Å; R1281-G1285 PolarHBondContact O-N 2.82Å; G1285-H1287 VanDerWaalsContact C-N 3.35Å; G1285-I1288 PolarHBondContact O-N 3.42Å; G1285-W1289 VanDerWaalsContact O-CB 3.29Å; G1285-W1289 WeakPolarHBondContact O-CB 3.5Å; G1285-W1289 PolarHBondContact O-N 3.13Å |
| 1286 | Q | 41.3 | Very low | 40.5 | Very low | 65 Ų | 65 | 65.7 Ų | 65.7 | 30% | 0.304 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67 | -36.6 | 174.8 | -78.3 | -167 | -6.9 | 0 | 0 | 112 | T1282 W1289 K1290 S1456 | T1282-Q1286 WeakPolarHBondContact O-CB 3.41Å; T1282-Q1286 PolarHBondContact O-N 3.16Å; T1282-Q1286 VanDerWaalsContact O-N 3.17Å; Q1286-W1289 PolarHBondContact O-N 2.71Å; Q1286-K1290 VanDerWaalsContact O-CB 3.3Å; Q1286-K1290 WeakPolarHBondContact O-CB 3.22Å; Q1286-K1290 WeakPolarHBondContact O-CG 3.34Å; Q1286-K1290 PolarHBondContact O-N 2.73Å; Q1286-S1456 PolarHBondContact OE1-OG 3.22Å |
| 1287 | H | 44.1 | Very low | 39.9 | Very low | 27 Ų | 27 | 74.2 Ų | 74.2 | 13% | 0.125 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.8 | -49.1 | 175.5 | -176.3 | 75.7 | 0 | 0 | 0 | 111.1 | V1284 G1285 W1289 K1290 V1291 P1522 | V1284-H1287 PolarHBondContact O-N 3.38Å; G1285-H1287 VanDerWaalsContact C-N 3.35Å; H1287-W1289 VanDerWaalsContact C-N 3.32Å; H1287-W1289 PolarHBondContact O-N 3.11Å; H1287-K1290 PolarHBondContact O-N 2.91Å; H1287-V1291 WeakPolarHBondContact CE1-CG2 3.3Å; H1287-V1291 VanDerWaalsContact O-CB 3.27Å; H1287-V1291 WeakPolarHBondContact O-CB 3.49Å; H1287-V1291 VanDerWaalsContact O-CG2 3.29Å; H1287-V1291 WeakPolarHBondContact O-CG2 3.48Å; H1287-V1291 PolarHBondContact O-N 3.47Å; H1287-P1522 WeakPolarHBondContact ND1-CA 3.42Å |
| 1288 | I | 40.7 | Very low | 39.5 | Very low | 27 Ų | 27 | 78.1 Ų | 78.1 | 14% | 0.138 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57.6 | -46.6 | 175.6 | -69.2 | 173.9 | 0 | 0 | 0 | 110.3 | D1230 Q1231 V1284 G1285 R1292 | D1230-I1288 HydrophobicContact CB-CD1 4.06Å; Q1231-I1288 HydrophobicContact CG-CD1 4.39Å; V1284-I1288 HydrophobicContact CG1-CD1 3.67Å; V1284-I1288 HydrophobicContact CG1-CG1 4.16Å; V1284-I1288 WeakPolarHBondContact O-CG1 3.32Å; V1284-I1288 PolarHBondContact O-N 2.88Å; G1285-I1288 PolarHBondContact O-N 3.42Å; I1288-R1292 HydrophobicContact CG2-CG 4.3Å; I1288-R1292 WeakPolarHBondContact O-CB 3.3Å; I1288-R1292 WeakPolarHBondContact O-CG 3.16Å; I1288-R1292 PolarHBondContact O-N 3.04Å |
| 1289 | W | 37.5 | Very low | 39.1 | Very low | 160 Ų | 160 | 85.4 Ų | 85.4 | 61% | 0.606 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -66.3 | -45.9 | -178 | -166.8 | 86.8 | 0 | 0 | 0 | 112.4 | G1285 Q1286 H1287 R1293 | G1285-W1289 VanDerWaalsContact O-CB 3.29Å; G1285-W1289 WeakPolarHBondContact O-CB 3.5Å; G1285-W1289 PolarHBondContact O-N 3.13Å; Q1286-W1289 PolarHBondContact O-N 2.71Å; H1287-W1289 VanDerWaalsContact C-N 3.32Å; H1287-W1289 PolarHBondContact O-N 3.11Å; W1289-R1293 VanDerWaalsContact CH2-NH1 3.28Å; W1289-R1293 WeakPolarHBondContact O-CB 3.35Å; W1289-R1293 PolarHBondContact O-N 3.44Å |
| 1290 | K | 37.9 | Very low | 38.4 | Very low | 64 Ų | 64 | 94.6 Ų | 94.6 | 28% | 0.278 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -67.9 | -43.8 | 177.5 | -76 | -175.6 | 177.3 | -179 | 0 | 112.3 | Q1286 H1287 R1293 L1294 | Q1286-K1290 VanDerWaalsContact O-CB 3.3Å; Q1286-K1290 WeakPolarHBondContact O-CB 3.22Å; Q1286-K1290 WeakPolarHBondContact O-CG 3.34Å; Q1286-K1290 PolarHBondContact O-N 2.73Å; H1287-K1290 PolarHBondContact O-N 2.91Å; K1290-R1293 PolarHBondContact O-N 3.42Å; K1290-L1294 WeakPolarHBondContact O-CG 3.3Å; K1290-L1294 PolarHBondContact O-N 2.88Å |
| 1291 | V | 38.7 | Very low | 37.7 | Very low | 44 Ų | 44 | 100.8 Ų | 100.8 | 27% | 0.267 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.5 | -39.8 | 178.1 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | H1287 R1293 L1294 K1295 | H1287-V1291 WeakPolarHBondContact CE1-CG2 3.3Å; H1287-V1291 VanDerWaalsContact O-CB 3.27Å; H1287-V1291 WeakPolarHBondContact O-CB 3.49Å; H1287-V1291 VanDerWaalsContact O-CG2 3.29Å; H1287-V1291 WeakPolarHBondContact O-CG2 3.48Å; H1287-V1291 PolarHBondContact O-N 3.47Å; V1291-R1293 VanDerWaalsContact C-N 3.32Å; V1291-R1293 PolarHBondContact O-N 3.18Å; V1291-L1294 PolarHBondContact O-N 2.5Å; V1291-K1295 HydrophobicContact CG1-CD 4.12Å; V1291-K1295 HydrophobicContact CG1-CG 4.4Å; V1291-K1295 WeakPolarHBondContact O-CB 3.29Å; V1291-K1295 PolarHBondContact O-N 3.26Å |
| 1292 | R | 36.2 | Very low | 37.5 | Very low | 125 Ų | 125 | 97.9 Ų | 97.9 | 47% | 0.472 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -57.6 | -47 | 170.6 | -80.2 | 179 | 177 | 178.2 | 0.7 | 110.4 | Y1235 I1288 L1294 K1295 L1296 | Y1235-R1292 PolarHBondContact OH-NH2 3.21Å; I1288-R1292 HydrophobicContact CG2-CG 4.3Å; I1288-R1292 WeakPolarHBondContact O-CB 3.3Å; I1288-R1292 WeakPolarHBondContact O-CG 3.16Å; I1288-R1292 PolarHBondContact O-N 3.04Å; R1292-L1294 VanDerWaalsContact C-N 3.33Å; R1292-L1294 PolarHBondContact O-N 3.41Å; R1292-K1295 PolarHBondContact O-N 3.11Å; R1292-L1296 HydrophobicContact CB-CD1 4.13Å; R1292-L1296 WeakPolarHBondContact O-CB 2.89Å; R1292-L1296 WeakPolarHBondContact O-CD1 3.42Å; R1292-L1296 WeakPolarHBondContact O-CG 3.35Å; R1292-L1296 PolarHBondContact O-N 3.45Å |
| 1293 | R | 33.6 | Very low | 37 | Very low | 170 Ų | 170 | 98.9 Ų | 98.9 | 64% | 0.642 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -62.3 | -37.7 | 179 | -159.5 | 174.1 | -173.4 | -176.4 | 1.5 | 112.9 | W1289 K1290 V1291 | W1289-R1293 VanDerWaalsContact CH2-NH1 3.28Å; W1289-R1293 WeakPolarHBondContact O-CB 3.35Å; W1289-R1293 PolarHBondContact O-N 3.44Å; K1290-R1293 PolarHBondContact O-N 3.42Å; V1291-R1293 VanDerWaalsContact C-N 3.32Å; V1291-R1293 PolarHBondContact O-N 3.18Å |
| 1294 | L | 33.3 | Very low | 36.4 | Very low | 138 Ų | 138 | 99.9 Ų | 99.9 | 72% | 0.723 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -74.8 | -39.1 | 178.2 | -71 | 167.4 | 0 | 0 | 0 | 113.1 | K1290 V1291 R1292 | K1290-L1294 WeakPolarHBondContact O-CG 3.3Å; K1290-L1294 PolarHBondContact O-N 2.88Å; V1291-L1294 PolarHBondContact O-N 2.5Å; R1292-L1294 VanDerWaalsContact C-N 3.33Å; R1292-L1294 PolarHBondContact O-N 3.41Å |
| 1295 | K | 35.8 | Very low | 36 | Very low | 158 Ų | 158 | 103.6 Ų | 103.6 | 69% | 0.687 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -83.1 | -25.5 | -179.3 | -76.4 | -173.3 | 176.4 | 178.1 | 0 | 114.4 | V1291 R1292 Q1297 | V1291-K1295 HydrophobicContact CG1-CD 4.12Å; V1291-K1295 HydrophobicContact CG1-CG 4.4Å; V1291-K1295 WeakPolarHBondContact O-CB 3.29Å; V1291-K1295 PolarHBondContact O-N 3.26Å; R1292-K1295 PolarHBondContact O-N 3.11Å; K1295-Q1297 PolarHBondContact O-N 2.9Å; K1295-Q1297 VanDerWaalsContact O-N 3.12Å |
| 1296 | L | 29.8 | Very low | 35.8 | Very low | 68 Ų | 68 | 108.9 Ų | 108.9 | 36% | 0.356 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 0.5 | -176.9 | -83.3 | 163.9 | 0 | 0 | 0 | 114.9 | R1292 K1301 | R1292-L1296 HydrophobicContact CB-CD1 4.13Å; R1292-L1296 WeakPolarHBondContact O-CB 2.89Å; R1292-L1296 WeakPolarHBondContact O-CD1 3.42Å; R1292-L1296 WeakPolarHBondContact O-CG 3.35Å; R1292-L1296 PolarHBondContact O-N 3.45Å; L1296-K1301 HydrophobicContact CD2-CG 3.88Å |
| 1297 | Q | 32.7 | Very low | 35.5 | Very low | 181 Ų | 181 | 111.7 Ų | 111.7 | 85% | 0.846 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -6.3 | -178.4 | -81.7 | -151.3 | -19 | 0 | 0 | 116.5 | K1295 | K1295-Q1297 PolarHBondContact O-N 2.9Å; K1295-Q1297 VanDerWaalsContact O-N 3.12Å |
| 1298 | S | 37 | Very low | 34.8 | Very low | 100 Ų | 100 | 113.6 Ų | 113.6 | 70% | 0.699 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -126.9 | -19.7 | -171.6 | 68.5 | 0 | 0 | 0 | 0 | 120.4 | ||
| 1299 | R | 34.5 | Very low | 34.6 | Very low | 217 Ų | 217 | 119 Ų | 119 | 82% | 0.819 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -164.8 | -22 | 177.2 | -111.4 | 155 | -167.4 | -154.9 | 3.6 | 118.5 | ||
| 1300 | W | 29.2 | Very low | 34.6 | Very low | 199 Ų | 199 | 116.7 Ų | 116.7 | 75% | 0.754 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -9.4 | -169.9 | -64.8 | 81.2 | 0 | 0 | 0 | 115 | S1302 A1304 | W1300-S1302 PolarHBondContact O-N 2.85Å; W1300-A1304 PolarHBondContact O-N 3.12Å |
| 1301 | K | 30.2 | Very low | 34.4 | Very low | 130 Ų | 130 | 114.7 Ų | 114.7 | 57% | 0.565 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.5 | -34.3 | -178.2 | -87 | -171.8 | 174.2 | -171 | 0 | 113.8 | L1296 N1305 | L1296-K1301 HydrophobicContact CD2-CG 3.88Å; K1301-N1305 WeakPolarHBondContact O-CB 3.4Å; K1301-N1305 PolarHBondContact O-N 3.06Å; K1301-N1305 PolarHBondContact O-ND2 3.46Å |
| 1302 | S | 39.1 | Very low | 34 | Very low | 80 Ų | 80 | 117.7 Ų | 117.7 | 56% | 0.559 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -75.9 | -46.1 | -177.9 | 60.1 | 0 | 0 | 0 | 0 | 112.3 | W1300 N1305 E1306 | W1300-S1302 PolarHBondContact O-N 2.85Å; S1302-N1305 PolarHBondContact O-N 3Å; S1302-E1306 PolarHBondContact O-N 2.88Å |
| 1303 | A | 35.5 | Very low | 34.1 | Very low | 54 Ų | 54 | 116.3 Ų | 116.3 | 45% | 0.446 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.7 | -37.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113 | N1305 W1307 | A1303-N1305 VanDerWaalsContact C-N 3.34Å; A1303-W1307 WeakPolarHBondContact O-CB 3.3Å; A1303-W1307 PolarHBondContact O-N 3.18Å |
| 1304 | A | 33 | Very low | 34.2 | Very low | 49 Ų | 49 | 113.1 Ų | 113.1 | 41% | 0.405 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.5 | -35.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | W1300 L1308 | W1300-A1304 PolarHBondContact O-N 3.12Å; A1304-L1308 WeakPolarHBondContact O-CB 3.09Å; A1304-L1308 WeakPolarHBondContact O-CG 3.48Å; A1304-L1308 PolarHBondContact O-N 3.18Å |
| 1305 | N | 34.5 | Very low | 33.9 | Very low | 85 Ų | 85 | 112.7 Ų | 112.7 | 46% | 0.455 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -73.3 | -39.1 | 177.1 | -76 | -7.9 | 0 | 0 | 0 | 112.4 | K1301 S1302 A1303 L1308 H1309 | K1301-N1305 WeakPolarHBondContact O-CB 3.4Å; K1301-N1305 PolarHBondContact O-N 3.06Å; K1301-N1305 PolarHBondContact O-ND2 3.46Å; S1302-N1305 PolarHBondContact O-N 3Å; A1303-N1305 VanDerWaalsContact C-N 3.34Å; N1305-L1308 PolarHBondContact O-N 3.38Å; N1305-H1309 WeakPolarHBondContact O-CB 3.28Å; N1305-H1309 PolarHBondContact O-N 2.8Å |
| 1306 | E | 37.1 | Very low | 33.7 | Very low | 145 Ų | 145 | 113.8 Ų | 113.8 | 68% | 0.678 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -61.1 | -44.8 | 171.1 | -86.3 | -178.9 | 154.5 | 0 | 0 | 111.2 | S1302 L1308 H1309 D1310 | S1302-E1306 PolarHBondContact O-N 2.88Å; E1306-L1308 PolarHBondContact O-N 2.83Å; E1306-H1309 PolarHBondContact O-N 3.25Å; E1306-D1310 PolarHBondContact O-N 3Å |
| 1307 | W | 35.4 | Very low | 33.7 | Very low | 124 Ų | 124 | 118 Ų | 118 | 47% | 0.47 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.6 | -39.9 | 177.9 | -179.6 | 77.1 | 0 | 0 | 0 | 113.3 | A1303 D1310 S1311 | A1303-W1307 WeakPolarHBondContact O-CB 3.3Å; A1303-W1307 PolarHBondContact O-N 3.18Å; W1307-D1310 PolarHBondContact O-N 3.46Å; W1307-S1311 WeakPolarHBondContact O-CB 3.5Å; W1307-S1311 PolarHBondContact O-N 2.8Å; W1307-S1311 PolarHBondContact O-OG 3.19Å |
| 1308 | L | 29.7 | Very low | 33.4 | Very low | 68 Ų | 68 | 114.2 Ų | 114.2 | 36% | 0.356 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -69.3 | -38 | 176.1 | -83.4 | 165.3 | 0 | 0 | 0 | 112 | A1304 N1305 E1306 D1310 S1311 V1312 | A1304-L1308 WeakPolarHBondContact O-CB 3.09Å; A1304-L1308 WeakPolarHBondContact O-CG 3.48Å; A1304-L1308 PolarHBondContact O-N 3.18Å; N1305-L1308 PolarHBondContact O-N 3.38Å; E1306-L1308 PolarHBondContact O-N 2.83Å; L1308-D1310 VanDerWaalsContact C-N 3.31Å; L1308-D1310 PolarHBondContact O-N 3.24Å; L1308-S1311 PolarHBondContact O-N 3.26Å; L1308-V1312 WeakPolarHBondContact O-CG2 3.3Å; L1308-V1312 PolarHBondContact O-N 3.45Å |
| 1309 | H | 35.5 | Very low | 33 | Very low | 141 Ų | 141 | 115.4 Ų | 115.4 | 65% | 0.653 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.6 | -37.3 | 176.8 | -155 | -63.3 | 0 | 0 | 0 | 111.5 | N1305 E1306 V1313 | N1305-H1309 WeakPolarHBondContact O-CB 3.28Å; N1305-H1309 PolarHBondContact O-N 2.8Å; E1306-H1309 PolarHBondContact O-N 3.25Å; H1309-V1313 WeakPolarHBondContact O-CG2 3.19Å |
| 1310 | D | 38.1 | Very low | 32.6 | Very low | 110 Ų | 110 | 112 Ų | 112 | 59% | 0.588 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -70.4 | -35.5 | 173.9 | -92.2 | 0.6 | 0 | 0 | 0 | 112.9 | E1306 W1307 L1308 N1314 | E1306-D1310 PolarHBondContact O-N 3Å; W1307-D1310 PolarHBondContact O-N 3.46Å; L1308-D1310 VanDerWaalsContact C-N 3.31Å; L1308-D1310 PolarHBondContact O-N 3.24Å; D1310-N1314 PolarHBondContact O-N 3.4Å; D1310-N1314 PolarHBondContact O-ND2 2.98Å |
| 1311 | S | 33 | Very low | 32.5 | Very low | 22 Ų | 22 | 113.3 Ų | 113.3 | 15% | 0.154 | 58% | 0.58 | C | S | . | * | H | α-helix | trans | -74.8 | -36.3 | -176.9 | -56.9 | 0 | 0 | 0 | 0 | 112.6 | W1307 L1308 V1313 N1314 F1315 | W1307-S1311 WeakPolarHBondContact O-CB 3.5Å; W1307-S1311 PolarHBondContact O-N 2.8Å; W1307-S1311 PolarHBondContact O-OG 3.19Å; L1308-S1311 PolarHBondContact O-N 3.26Å; S1311-V1313 VanDerWaalsContact C-N 3.33Å; S1311-V1313 PolarHBondContact O-N 3.17Å; S1311-N1314 PolarHBondContact O-N 3.5Å; S1311-F1315 PolarHBondContact O-N 3.32Å |
| 1312 | V | 31.9 | Very low | 32.3 | Very low | 108 Ų | 108 | 111.9 Ų | 111.9 | 66% | 0.655 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.6 | -35.7 | 176.8 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | L1308 N1314 | L1308-V1312 WeakPolarHBondContact O-CG2 3.3Å; L1308-V1312 PolarHBondContact O-N 3.45Å; V1312-N1314 VanDerWaalsContact C-N 3.32Å; V1312-N1314 PolarHBondContact O-N 3.4Å |
| 1313 | V | 37.9 | Very low | 31.7 | Very low | 96 Ų | 96 | 112.2 Ų | 112.2 | 58% | 0.582 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68.5 | -32.9 | 176.9 | 176.5 | 0 | 0 | 0 | 0 | 111.5 | H1309 S1311 | H1309-V1313 WeakPolarHBondContact O-CG2 3.19Å; S1311-V1313 VanDerWaalsContact C-N 3.33Å; S1311-V1313 PolarHBondContact O-N 3.17Å |
| 1314 | N | 35.4 | Very low | 31.3 | Very low | 103 Ų | 103 | 114.7 Ų | 114.7 | 55% | 0.551 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -86.1 | -5.7 | -177.9 | -73.6 | -40.6 | 0 | 0 | 0 | 115 | D1310 S1311 V1312 Q1316 | D1310-N1314 PolarHBondContact O-N 3.4Å; D1310-N1314 PolarHBondContact O-ND2 2.98Å; S1311-N1314 PolarHBondContact O-N 3.5Å; V1312-N1314 VanDerWaalsContact C-N 3.32Å; V1312-N1314 PolarHBondContact O-N 3.4Å; N1314-Q1316 PolarHBondContact O-N 3.07Å |
| 1315 | F | 26.6 | Very low | 31.3 | Very low | 129 Ų | 129 | 121 Ų | 121 | 57% | 0.566 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -71.9 | -11.2 | -174.3 | -132.7 | -91.7 | 0 | 0 | 0 | 114.3 | S1311 D1317 F1320 | S1311-F1315 PolarHBondContact O-N 3.32Å; F1315-D1317 PolarHBondContact O-N 3.28Å; F1315-F1320 HydrophobicContact CE1-CZ 4.37Å |
| 1316 | Q | 31.9 | Very low | 31.1 | Very low | 181 Ų | 181 | 124.6 Ų | 124.6 | 85% | 0.846 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -75.8 | -14.2 | -169.7 | -72.2 | -171.3 | -12.1 | 0 | 0 | 115.7 | N1314 | N1314-Q1316 PolarHBondContact O-N 3.07Š|
| 1317 | D | 29.6 | Very low | 30.9 | Very low | 157 Ų | 157 | 126.2 Ų | 126.2 | 84% | 0.84 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -123.2 | 14.7 | -162.1 | -109.8 | -8 | 0 | 0 | 0 | 117.7 | F1315 | F1315-D1317 PolarHBondContact O-N 3.28Š|
| 1318 | K | 26.8 | Very low | 30.7 | Very low | 101 Ų | 101 | 124.9 Ų | 124.9 | 44% | 0.439 | 64% | 0.642 | S | S | . | * | trans | -122.1 | 112.4 | -177 | -66 | -177.9 | -166.4 | 159.1 | 0 | 113.8 | S1243 E1246 F1320 | S1243-K1318 VanDerWaalsContact CB-NZ 3.34Å; E1246-K1318 IonicContact OE2-NZ 3.69Å; E1246-K1318 PolarHBondContact OE2-NZ 3.27Å; K1318-F1320 WeakPolarHBondContact O-CD2 3.24Å; K1318-F1320 VanDerWaalsContact O-CE2 3.29Å; K1318-F1320 WeakPolarHBondContact O-CE2 3.44Å | ||
| 1319 | S | 28.1 | Very low | 30.4 | Very low | 124 Ų | 124 | 131.9 Ų | 131.9 | 87% | 0.867 | 66% | 0.664 | S | S | * | * | trans | -78.5 | 124.8 | 167.5 | 52.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1320 | F | 26.4 | Very low | 30.1 | Very low | 146 Ų | 146 | 132.2 Ų | 132.2 | 64% | 0.64 | 67% | 0.67 | S | S | * | * | trans | -83.2 | 130 | -171.8 | -62.7 | -91.5 | 0 | 0 | 0 | 111.5 | F1315 K1318 | F1315-F1320 HydrophobicContact CE1-CZ 4.37Å; K1318-F1320 WeakPolarHBondContact O-CD2 3.24Å; K1318-F1320 VanDerWaalsContact O-CE2 3.29Å; K1318-F1320 WeakPolarHBondContact O-CE2 3.44Å | ||
| 1321 | R | 26 | Very low | 29.7 | Very low | 227 Ų | 227 | 132.9 Ų | 132.9 | 86% | 0.857 | 68% | 0.68 | S | S | * | * | trans | -86.5 | 114.3 | 165.8 | -72.2 | -171.2 | -174.7 | -174 | 5.6 | 109 | ||||
| 1322 | T | 26.3 | Very low | 29.7 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 61% | 0.607 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 138.6 | 169.7 | 24.6 | 0 | 0 | 0 | 0 | 110.5 | ||
| 1323 | P | 27.7 | Very low | 29.7 | Very low | 88 Ų | 88 | 140 Ų | 140 | 57% | 0.571 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 150.6 | 172.4 | 28.8 | -30.7 | 0 | 0 | 0 | 110.3 | E1325 | P1323-E1325 PolarHBondContact O-N 2.88Š|
| 1324 | P | 27.6 | Very low | 29.4 | Very low | 105 Ų | 105 | 143.8 Ų | 143.8 | 68% | 0.682 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -70 | 123.5 | -167.7 | 26.6 | -32 | 0 | 0 | 0 | 112.1 | E1326 | P1324-E1326 PolarHBondContact O-N 2.93Å; P1324-E1326 VanDerWaalsContact O-N 3.14Å |
| 1325 | E | 32.1 | Very low | 29.3 | Very low | 183 Ų | 183 | 148.5 Ų | 148.5 | 86% | 0.855 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -71.6 | 9.1 | 178.8 | -76.9 | -179.2 | 156.4 | 0 | 0 | 114.6 | P1323 F1327 C1328 | P1323-E1325 PolarHBondContact O-N 2.88Å; E1325-F1327 PolarHBondContact O-N 3.25Å; E1325-C1328 PolarHBondContact O-N 2.9Å |
| 1326 | E | 31 | Very low | 29.5 | Very low | 160 Ų | 160 | 146.6 Ų | 146.6 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -69.4 | -3.3 | -177.3 | -79.8 | -169.9 | 158.1 | 0 | 0 | 114.8 | P1324 C1328 | P1324-E1326 PolarHBondContact O-N 2.93Å; P1324-E1326 VanDerWaalsContact O-N 3.14Å; E1326-C1328 PolarHBondContact O-N 3.21Å |
| 1327 | F | 32.3 | Very low | 29.5 | Very low | 179 Ų | 179 | 144.9 Ų | 144.9 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -73.2 | -3.1 | 174.7 | -85.9 | -82.2 | 0 | 0 | 0 | 115.1 | E1325 | E1325-F1327 PolarHBondContact O-N 3.25Š|
| 1328 | C | 30.1 | Very low | 29.9 | Very low | 96 Ų | 96 | 145.9 Ų | 145.9 | 65% | 0.649 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -125.7 | 7.4 | -168.2 | -72.6 | 0 | 0 | 0 | 0 | 117.2 | E1325 E1326 L1330 | E1325-C1328 PolarHBondContact O-N 2.9Å; E1326-C1328 PolarHBondContact O-N 3.21Å; C1328-L1330 PolarHBondContact O-N 3.48Å; C1328-L1330 VanDerWaalsContact O-N 3.12Å |
| 1329 | R | 24.4 | Very low | 30.3 | Very low | 214 Ų | 214 | 150.3 Ų | 150.3 | 81% | 0.808 | 76% | 0.76 | S | S | * | * | trans | -81.7 | 93.1 | 170.3 | -75.2 | -168.3 | -177.3 | 166.3 | 2.1 | 110.4 | ||||
| 1330 | L | 28.2 | Very low | 30.6 | Very low | 148 Ų | 148 | 147.1 Ų | 147.1 | 78% | 0.775 | 74% | 0.74 | S | S | * | * | trans | -51.9 | 135.5 | 151.3 | -80.3 | 147.7 | 0 | 0 | 0 | 107.2 | C1328 D1332 | C1328-L1330 PolarHBondContact O-N 3.48Å; C1328-L1330 VanDerWaalsContact O-N 3.12Å; L1330-D1332 PolarHBondContact O-N 2.96Å | ||
| 1331 | P | 30.9 | Very low | 30.8 | Very low | 124 Ų | 124 | 147 Ų | 147 | 81% | 0.805 | 74% | 0.744 | S | S | * | * | trans | -61.8 | 108.4 | -174.4 | 23.1 | -30.4 | 0 | 0 | 0 | 109.5 | ||||
| 1332 | D | 32.4 | Very low | 31.1 | Very low | 124 Ų | 124 | 143.9 Ų | 143.9 | 66% | 0.663 | 74% | 0.744 | S | S | * | * | trans | -55.5 | 138.2 | 177.8 | -73.9 | -41.9 | 0 | 0 | 0 | 110.9 | L1330 | L1330-D1332 PolarHBondContact O-N 2.96Š| ||
| 1333 | D | 33.3 | Very low | 31.4 | Very low | 157 Ų | 157 | 149.5 Ų | 149.5 | 84% | 0.84 | 76% | 0.755 | S | S | * | * | trans | 59.8 | 56 | 155.1 | -65.7 | -20.7 | 0 | 0 | 0 | 118.6 | ||||
| 1334 | Q | 31.2 | Very low | 31.5 | Very low | 174 Ų | 174 | 153.6 Ų | 153.6 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | trans | -108.1 | 112 | 141.8 | -70.1 | -169 | -2.6 | 0 | 0 | 108.9 | V1336 | Q1334-V1336 VanDerWaalsContact C-N 3.29Å; Q1334-V1336 WeakPolarHBondContact O-CG2 3.46Å; Q1334-V1336 PolarHBondContact O-N 3.26Å | ||
| 1335 | Q | 32.6 | Very low | 31.7 | Very low | 203 Ų | 203 | 152 Ų | 152 | 95% | 0.949 | 75% | 0.752 | S | S | * | * | trans | -53.2 | 93.4 | 167.3 | -72.9 | 176.9 | -32 | 0 | 0 | 108.6 | D1337 | Q1335-D1337 PolarHBondContact O-N 3.11Š| ||
| 1336 | V | 30.1 | Very low | 31.7 | Very low | 88 Ų | 88 | 148.9 Ų | 148.9 | 53% | 0.533 | 75% | 0.748 | S | S | . | * | trans | -85.2 | 107.5 | 175 | 179.2 | 0 | 0 | 0 | 0 | 107.4 | Q1334 H1338 | Q1334-V1336 VanDerWaalsContact C-N 3.29Å; Q1334-V1336 WeakPolarHBondContact O-CG2 3.46Å; Q1334-V1336 PolarHBondContact O-N 3.26Å; V1336-H1338 PolarHBondContact O-N 2.86Å | ||
| 1337 | D | 33.5 | Very low | 31.9 | Very low | 146 Ų | 146 | 149.9 Ų | 149.9 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | trans | -47.9 | 132.2 | 169.9 | -104.9 | -33.6 | 0 | 0 | 0 | 111 | Q1335 H1339 | Q1335-D1337 PolarHBondContact O-N 3.11Å; D1337-H1339 PolarHBondContact O-N 3.04Å | ||
| 1338 | H | 36.5 | Very low | 31.9 | Very low | 177 Ų | 177 | 150 Ų | 150 | 82% | 0.819 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | 9.2 | -170.1 | -82.8 | -63.2 | 0 | 0 | 0 | 116.9 | V1336 | V1336-H1338 PolarHBondContact O-N 2.86Š|
| 1339 | H | 35 | Very low | 32.1 | Very low | 195 Ų | 195 | 150 Ų | 150 | 90% | 0.903 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.1 | 8.1 | -178.9 | -84 | -62.2 | 0 | 0 | 0 | 115.7 | D1337 | D1337-H1339 PolarHBondContact O-N 3.04Š|
| 1340 | A | 34.5 | Very low | 32.8 | Very low | 56 Ų | 56 | 147.4 Ų | 147.4 | 46% | 0.463 | 75% | 0.749 | S | S | . | * | trans | -113.9 | 21.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | D1342 | A1340-D1342 VanDerWaalsContact C-N 3.32Å; A1340-D1342 PolarHBondContact O-N 3.13Å | ||
| 1341 | M | 30.3 | Very low | 33.5 | Very low | 145 Ų | 145 | 141.3 Ų | 141.3 | 71% | 0.714 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -75.5 | -10 | -179.6 | -89.1 | -64 | -151.1 | 0 | 0 | 115.3 | Y1343 Y1344 | M1341-Y1343 PolarHBondContact O-N 3.18Å; M1341-Y1344 HydrophobicContact SD-CD2 4.49Å |
| 1342 | D | 33.8 | Very low | 34 | Very low | 161 Ų | 161 | 137 Ų | 137 | 86% | 0.861 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -86.3 | 1.6 | -178.8 | -75.3 | -22.3 | 0 | 0 | 0 | 115 | A1340 | A1340-D1342 VanDerWaalsContact C-N 3.32Å; A1340-D1342 PolarHBondContact O-N 3.13Å |
| 1343 | Y | 31.5 | Very low | 34.6 | Very low | 216 Ų | 216 | 131.5 Ų | 131.5 | 85% | 0.847 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -121 | 12.5 | -177.4 | -87.4 | -81.5 | 0 | 0 | 0 | 116.1 | M1341 S1345 | M1341-Y1343 PolarHBondContact O-N 3.18Å; Y1343-S1345 PolarHBondContact O-N 3.49Å; Y1343-S1345 VanDerWaalsContact O-N 3.13Å |
| 1344 | Y | 30 | Very low | 35.2 | Very low | 175 Ų | 175 | 126.2 Ų | 126.2 | 69% | 0.686 | 63% | 0.633 | S | S | * | * | trans | -80.5 | 94.4 | 166.1 | -80.4 | -79.5 | 0 | 0 | 0 | 109.9 | M1341 | M1341-Y1344 HydrophobicContact SD-CD2 4.49Š| ||
| 1345 | S | 31 | Very low | 35.8 | Very low | 72 Ų | 72 | 120.8 Ų | 120.8 | 50% | 0.503 | 61% | 0.614 | S | S | . | * | trans | -51.9 | 129.4 | 166.3 | 55.7 | 0 | 0 | 0 | 0 | 109.7 | Y1343 E1347 | Y1343-S1345 PolarHBondContact O-N 3.49Å; Y1343-S1345 VanDerWaalsContact O-N 3.13Å; S1345-E1347 PolarHBondContact O-N 2.88Å | ||
| 1346 | P | 33.7 | Very low | 36.4 | Very low | 116 Ų | 116 | 111.6 Ų | 111.6 | 75% | 0.753 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -59.1 | -7.7 | -177 | -23.5 | 32 | 0 | 0 | 0 | 115.9 | K1348 | P1346-K1348 VanDerWaalsContact C-N 3.34Å; P1346-K1348 PolarHBondContact O-N 2.61Å |
| 1347 | E | 34.9 | Very low | 37.2 | Very low | 181 Ų | 181 | 108.2 Ų | 108.2 | 85% | 0.846 | 55% | 0.55 | S | S | * | . | G | 310 helix | trans | -72.9 | -10.9 | -168.5 | -65.9 | -178.2 | 164.2 | 0 | 0 | 115.9 | S1345 | S1345-E1347 PolarHBondContact O-N 2.88Š|
| 1348 | K | 32.3 | Very low | 37.9 | Very low | 181 Ų | 181 | 105 Ų | 105 | 79% | 0.787 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -104 | 3.7 | -174.2 | -78.1 | -174.1 | 178 | 177.6 | 0 | 116.6 | P1346 H1350 | P1346-K1348 VanDerWaalsContact C-N 3.34Å; P1346-K1348 PolarHBondContact O-N 2.61Å; K1348-H1350 PolarHBondContact O-N 3.18Å; K1348-H1350 VanDerWaalsContact O-N 3.14Å |
| 1349 | C | 34.3 | Very low | 38.3 | Very low | 97 Ų | 97 | 101.2 Ų | 101.2 | 66% | 0.655 | 51% | 0.512 | S | S | * | . | trans | -83.2 | 90.5 | 176 | -128.8 | 0 | 0 | 0 | 0 | 109.9 | C1351 | C1349-C1351 PolarHBondContact O-N 2.83Š| ||
| 1350 | H | 37.9 | Very low | 38.8 | Very low | 159 Ų | 159 | 92.9 Ų | 92.9 | 74% | 0.736 | 47% | 0.474 | S | S | * | . | trans | -58.2 | 111.4 | 175 | -74.3 | -65.3 | 0 | 0 | 0 | 110.1 | K1348 | K1348-H1350 PolarHBondContact O-N 3.18Å; K1348-H1350 VanDerWaalsContact O-N 3.14Å | ||
| 1351 | C | 43.5 | Very low | 39.3 | Very low | 21 Ų | 21 | 93 Ų | 93 | 14% | 0.142 | 47% | 0.465 | C | S | . | . | trans | -60.2 | 127.3 | 175.2 | -175 | 0 | 0 | 0 | 0 | 109.2 | C1349 L1353 N1354 | C1349-C1351 PolarHBondContact O-N 2.83Å; C1351-L1353 PolarHBondContact O-N 2.73Å; C1351-L1353 VanDerWaalsContact SG-CB 3.6Å; C1351-N1354 WeakPolarHBondContact O-CB 3.3Å; C1351-N1354 PolarHBondContact O-N 2.72Å | ||
| 1352 | P | 42.1 | Very low | 40 | Very low | 34 Ų | 34 | 91.1 Ų | 91.1 | 22% | 0.221 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -55.9 | -25.2 | 176 | -21.6 | 29.7 | 0 | 0 | 0 | 113.2 | F1258 K1262 N1354 C1355 L1356 | F1258-P1352 HydrophobicContact CE1-CB 3.68Å; F1258-P1352 HydrophobicContact CZ-CB 4Å; K1262-P1352 HydrophobicContact CD-CG 3.78Å; K1262-P1352 HydrophobicContact CG-CB 4.18Å; K1262-P1352 HydrophobicContact CG-CG 3.92Å; P1352-N1354 VanDerWaalsContact C-N 3.32Å; P1352-C1355 PolarHBondContact O-N 2.84Å; P1352-L1356 PolarHBondContact O-N 3.33Å |
| 1353 | L | 44.3 | Very low | 40.3 | Very low | 7 Ų | 7 | 85.9 Ų | 85.9 | 4% | 0.037 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -66.5 | -30.6 | 173.8 | -157.8 | 82.3 | 0 | 0 | 0 | 112.4 | L1186 E1190 M1193 I1259 C1351 L1356 I1357 | L1186-L1353 WeakPolarHBondContact O-CD2 3.46Å; E1190-L1353 HydrophobicContact CB-CD2 3.6Å; E1190-L1353 HydrophobicContact CG-CD2 3.89Å; M1193-L1353 HydrophobicContact CE-CB 4.27Å; M1193-L1353 HydrophobicContact CE-CD1 4.37Å; M1193-L1353 HydrophobicContact CE-CD2 3.64Å; M1193-L1353 HydrophobicContact CE-CG 4.3Å; I1259-L1353 HydrophobicContact CG2-CD1 4.23Å; C1351-L1353 PolarHBondContact O-N 2.73Å; C1351-L1353 VanDerWaalsContact SG-CB 3.6Å; L1353-L1356 HydrophobicContact CD1-CD2 4.02Å; L1353-L1356 CarbonylContact O-C 3.59Å; L1353-L1356 WeakPolarHBondContact O-CB 3.4Å; L1353-L1356 PolarHBondContact O-N 3.45Å; L1353-I1357 HydrophobicContact CD2-CD1 3.87Å; L1353-I1357 HydrophobicContact CG-CD1 4.06Å; L1353-I1357 HydrophobicContact CG-CG1 4.34Å; L1353-I1357 WeakPolarHBondContact O-CB 3.38Å; L1353-I1357 VanDerWaalsContact O-CG1 3.31Å; L1353-I1357 WeakPolarHBondContact O-CG1 3.35Å; L1353-I1357 PolarHBondContact O-N 3.45Å |
| 1354 | N | 45.2 | Very low | 40.7 | Very low | 47 Ų | 47 | 76.7 Ų | 76.7 | 25% | 0.251 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66 | -42.3 | 175.3 | -81.4 | -48.2 | 0 | 0 | 0 | 111.4 | E1190 C1351 P1352 L1356 I1357 D1358 | E1190-N1354 PolarHBondContact OE1-ND2 2.74Å; E1190-N1354 PolarHBondContact OE1-OD1 3.49Å; C1351-N1354 WeakPolarHBondContact O-CB 3.3Å; C1351-N1354 PolarHBondContact O-N 2.72Å; P1352-N1354 VanDerWaalsContact C-N 3.32Å; N1354-L1356 PolarHBondContact O-N 3.3Å; N1354-I1357 PolarHBondContact O-N 3.43Å; N1354-D1358 VanDerWaalsContact O-CB 3.23Å; N1354-D1358 WeakPolarHBondContact O-CB 3.27Å; N1354-D1358 PolarHBondContact O-N 3.32Å |
| 1355 | C | 44.1 | Very low | 41.3 | Very low | 59 Ų | 59 | 71.6 Ų | 71.6 | 40% | 0.399 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62 | -35.3 | 173.3 | -64.5 | 0 | 0 | 0 | 0 | 111.8 | P1352 Y1359 | P1352-C1355 PolarHBondContact O-N 2.84Å; C1355-Y1359 WeakPolarHBondContact O-CB 3.44Å; C1355-Y1359 PolarHBondContact O-N 3.05Å |
| 1356 | L | 45 | Very low | 41.7 | Very low | 10 Ų | 10 | 73.7 Ų | 73.7 | 5% | 0.052 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -71.2 | -45.3 | 175.1 | -175.1 | 90.9 | 0 | 0 | 0 | 112.1 | F1229 Q1255 I1259 P1352 L1353 N1354 D1358 Y1359 L1360 | F1229-L1356 HydrophobicContact CZ-CD2 4.23Å; Q1255-L1356 HydrophobicContact CB-CD1 3.77Å; Q1255-L1356 HydrophobicContact CG-CD1 3.78Å; I1259-L1356 HydrophobicContact CD1-CD1 3.68Å; I1259-L1356 HydrophobicContact CD1-CD2 3.2Å; I1259-L1356 HydrophobicContact CD1-CG 3.98Å; I1259-L1356 HydrophobicContact CG1-CD1 4.27Å; I1259-L1356 HydrophobicContact CG1-CD2 3.94Å; P1352-L1356 PolarHBondContact O-N 3.33Å; L1353-L1356 HydrophobicContact CD1-CD2 4.02Å; L1353-L1356 CarbonylContact O-C 3.59Å; L1353-L1356 WeakPolarHBondContact O-CB 3.4Å; L1353-L1356 PolarHBondContact O-N 3.45Å; N1354-L1356 PolarHBondContact O-N 3.3Å; L1356-D1358 VanDerWaalsContact C-N 3.34Å; L1356-Y1359 CarbonylContact O-C 3.49Å; L1356-Y1359 PolarHBondContact O-N 2.92Å; L1356-L1360 HydrophobicContact CD2-CD1 3.85Å; L1356-L1360 HydrophobicContact CG-CD1 3.88Å; L1356-L1360 HydrophobicContact CG-CG 4.21Å; L1356-L1360 VanDerWaalsContact O-CB 3.3Å; L1356-L1360 WeakPolarHBondContact O-CB 3.23Å; L1356-L1360 VanDerWaalsContact O-CG 3.27Å; L1356-L1360 WeakPolarHBondContact O-CG 3.12Å; L1356-L1360 PolarHBondContact O-N 3.33Å |
| 1357 | I | 47.5 | Very low | 41.6 | Very low | 18 Ų | 18 | 70.8 Ų | 70.8 | 9% | 0.092 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.1 | -48.2 | 176.4 | -74.3 | 167.1 | 0 | 0 | 0 | 108.7 | L1183 L1186 L1353 N1354 Y1359 L1360 H1361 | L1183-I1357 HydrophobicContact CD1-CG1 4.43Å; L1183-I1357 HydrophobicContact CD1-CG2 3.56Å; L1186-I1357 HydrophobicContact CB-CG1 4.4Å; L1353-I1357 HydrophobicContact CD2-CD1 3.87Å; L1353-I1357 HydrophobicContact CG-CD1 4.06Å; L1353-I1357 HydrophobicContact CG-CG1 4.34Å; L1353-I1357 WeakPolarHBondContact O-CB 3.38Å; L1353-I1357 VanDerWaalsContact O-CG1 3.31Å; L1353-I1357 WeakPolarHBondContact O-CG1 3.35Å; L1353-I1357 PolarHBondContact O-N 3.45Å; N1354-I1357 PolarHBondContact O-N 3.43Å; I1357-Y1359 VanDerWaalsContact C-N 3.34Å; I1357-Y1359 PolarHBondContact O-N 3.01Å; I1357-L1360 PolarHBondContact O-N 3.26Å; I1357-H1361 WeakPolarHBondContact O-CB 3.31Å; I1357-H1361 PolarHBondContact O-N 2.71Å |
| 1358 | D | 48.8 | Very low | 41.5 | Very low | 77 Ų | 77 | 66 Ų | 66 | 41% | 0.412 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.4 | -43.9 | 175 | -72.4 | -18.3 | 0 | 0 | 0 | 111.1 | N1354 L1356 H1361 Q1362 | N1354-D1358 VanDerWaalsContact O-CB 3.23Å; N1354-D1358 WeakPolarHBondContact O-CB 3.27Å; N1354-D1358 PolarHBondContact O-N 3.32Å; L1356-D1358 VanDerWaalsContact C-N 3.34Å; D1358-H1361 PolarHBondContact O-N 3.19Å; D1358-Q1362 VanDerWaalsContact O-CB 3.28Å; D1358-Q1362 WeakPolarHBondContact O-CB 3.35Å; D1358-Q1362 PolarHBondContact O-N 2.83Å |
| 1359 | Y | 45 | Very low | 41.4 | Very low | 98 Ų | 98 | 62.9 Ų | 62.9 | 38% | 0.384 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.9 | -47 | 176.7 | -179.7 | -87.8 | 0 | 0 | 0 | 112 | V1251 C1355 L1356 I1357 H1361 Q1362 F1363 | V1251-Y1359 HydrophobicContact CG1-CE1 4.3Å; C1355-Y1359 WeakPolarHBondContact O-CB 3.44Å; C1355-Y1359 PolarHBondContact O-N 3.05Å; L1356-Y1359 CarbonylContact O-C 3.49Å; L1356-Y1359 PolarHBondContact O-N 2.92Å; I1357-Y1359 VanDerWaalsContact C-N 3.34Å; I1357-Y1359 PolarHBondContact O-N 3.01Å; Y1359-H1361 VanDerWaalsContact C-N 3.3Å; Y1359-H1361 PolarHBondContact O-N 3.09Å; Y1359-Q1362 PolarHBondContact O-N 3.28Å; Y1359-F1363 HydrophobicContact CD1-CB 4.48Å; Y1359-F1363 HydrophobicContact CE1-CB 4.29Å; Y1359-F1363 HydrophobicContact CE1-CD2 4.21Å; Y1359-F1363 HydrophobicContact CE1-CG 4.37Å; Y1359-F1363 WeakPolarHBondContact O-CB 3.41Å; Y1359-F1363 PolarHBondContact O-N 3.5Å |
| 1360 | L | 44.9 | Very low | 41.2 | Very low | 21 Ų | 21 | 63.6 Ų | 63.6 | 11% | 0.11 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.8 | -37.7 | 177.2 | -73.2 | 172.7 | 0 | 0 | 0 | 110.6 | L1186 L1356 I1357 F1363 C1364 | L1186-L1360 HydrophobicContact CD1-CD1 3.63Å; L1356-L1360 HydrophobicContact CD2-CD1 3.85Å; L1356-L1360 HydrophobicContact CG-CD1 3.88Å; L1356-L1360 HydrophobicContact CG-CG 4.21Å; L1356-L1360 VanDerWaalsContact O-CB 3.3Å; L1356-L1360 WeakPolarHBondContact O-CB 3.23Å; L1356-L1360 VanDerWaalsContact O-CG 3.27Å; L1356-L1360 WeakPolarHBondContact O-CG 3.12Å; L1356-L1360 PolarHBondContact O-N 3.33Å; I1357-L1360 PolarHBondContact O-N 3.26Å; L1360-F1363 PolarHBondContact O-N 2.87Å; L1360-C1364 VanDerWaalsContact O-CB 3.23Å; L1360-C1364 WeakPolarHBondContact O-CB 3.44Å; L1360-C1364 PolarHBondContact O-N 3.4Å; L1360-C1364 PolarHBondContact O-SG 3.45Å |
| 1361 | H | 45.4 | Very low | 41 | Very low | 58 Ų | 58 | 61.4 Ų | 61.4 | 27% | 0.269 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.4 | -51 | 175.5 | -167.2 | -93.9 | 0 | 0 | 0 | 110.4 | I1357 D1358 Y1359 F1363 C1364 I1365 | I1357-H1361 WeakPolarHBondContact O-CB 3.31Å; I1357-H1361 PolarHBondContact O-N 2.71Å; D1358-H1361 PolarHBondContact O-N 3.19Å; Y1359-H1361 VanDerWaalsContact C-N 3.3Å; Y1359-H1361 PolarHBondContact O-N 3.09Å; H1361-F1363 VanDerWaalsContact C-N 3.35Å; H1361-F1363 PolarHBondContact O-N 3.36Å; H1361-C1364 PolarHBondContact O-N 3.33Å; H1361-I1365 WeakPolarHBondContact O-CD1 3.44Å; H1361-I1365 WeakPolarHBondContact O-CG1 3.15Å; H1361-I1365 PolarHBondContact O-N 3.29Å |
| 1362 | Q | 45.6 | Very low | 40.5 | Very low | 106 Ų | 106 | 65.9 Ų | 65.9 | 50% | 0.495 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 175.8 | -161.7 | 69 | 22.3 | 0 | 0 | 111.8 | D1358 Y1359 I1365 D1366 | D1358-Q1362 VanDerWaalsContact O-CB 3.28Å; D1358-Q1362 WeakPolarHBondContact O-CB 3.35Å; D1358-Q1362 PolarHBondContact O-N 2.83Å; Y1359-Q1362 PolarHBondContact O-N 3.28Å; Q1362-I1365 WeakPolarHBondContact O-CB 3.34Å; Q1362-I1365 PolarHBondContact O-N 2.87Å; Q1362-D1366 VanDerWaalsContact O-CG 3.27Å; Q1362-D1366 PolarHBondContact O-N 2.79Å |
| 1363 | F | 39.7 | Very low | 39.9 | Very low | 50 Ų | 50 | 70.5 Ų | 70.5 | 22% | 0.219 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -68.1 | -40.6 | -179.3 | -169.6 | -92.5 | 0 | 0 | 0 | 112.5 | L1248 Y1359 L1360 H1361 I1365 D1366 C1367 | L1248-F1363 HydrophobicContact CD2-CE1 3.69Å; L1248-F1363 HydrophobicContact CD2-CE2 4.36Å; L1248-F1363 HydrophobicContact CD2-CZ 3.37Å; L1248-F1363 HydrophobicContact CG-CZ 4.25Å; Y1359-F1363 HydrophobicContact CD1-CB 4.48Å; Y1359-F1363 HydrophobicContact CE1-CB 4.29Å; Y1359-F1363 HydrophobicContact CE1-CD2 4.21Å; Y1359-F1363 HydrophobicContact CE1-CG 4.37Å; Y1359-F1363 WeakPolarHBondContact O-CB 3.41Å; Y1359-F1363 PolarHBondContact O-N 3.5Å; L1360-F1363 PolarHBondContact O-N 2.87Å; H1361-F1363 VanDerWaalsContact C-N 3.35Å; H1361-F1363 PolarHBondContact O-N 3.36Å; F1363-I1365 VanDerWaalsContact C-N 3.31Å; F1363-D1366 PolarHBondContact O-N 3.34Å; F1363-C1367 VanDerWaalsContact CE1-SG 3.5Å; F1363-C1367 VanDerWaalsContact CZ-SG 3.55Å; F1363-C1367 WeakPolarHBondContact O-CB 3.36Å; F1363-C1367 PolarHBondContact O-N 3.22Å; F1363-C1367 PolarHBondContact O-SG 3.2Å |
| 1364 | C | 40.3 | Very low | 39.2 | Very low | 24 Ų | 24 | 78 Ų | 78 | 16% | 0.162 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 171.5 | -79.1 | 0 | 0 | 0 | 0 | 111.2 | L1360 H1361 L1368 | L1360-C1364 VanDerWaalsContact O-CB 3.23Å; L1360-C1364 WeakPolarHBondContact O-CB 3.44Å; L1360-C1364 PolarHBondContact O-N 3.4Å; L1360-C1364 PolarHBondContact O-SG 3.45Å; H1361-C1364 PolarHBondContact O-N 3.33Å; C1364-L1368 VanDerWaalsContact O-CD1 3.31Å; C1364-L1368 WeakPolarHBondContact O-CD1 3.3Å; C1364-L1368 WeakPolarHBondContact O-CG 3.45Å; C1364-L1368 PolarHBondContact O-N 3.3Å |
| 1365 | I | 41 | Very low | 38.6 | Very low | 67 Ų | 67 | 81.3 Ų | 81.3 | 34% | 0.344 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.9 | -47.6 | 175.5 | -69.5 | 164.2 | 0 | 0 | 0 | 111 | H1361 Q1362 F1363 C1367 | H1361-I1365 WeakPolarHBondContact O-CD1 3.44Å; H1361-I1365 WeakPolarHBondContact O-CG1 3.15Å; H1361-I1365 PolarHBondContact O-N 3.29Å; Q1362-I1365 WeakPolarHBondContact O-CB 3.34Å; Q1362-I1365 PolarHBondContact O-N 2.87Å; F1363-I1365 VanDerWaalsContact C-N 3.31Å; I1365-C1367 VanDerWaalsContact C-N 3.32Å; I1365-C1367 PolarHBondContact O-N 3.26Å |
| 1366 | D | 39.2 | Very low | 37.8 | Very low | 117 Ų | 117 | 83.6 Ų | 83.6 | 63% | 0.626 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -69.1 | -28 | -176.3 | -69.1 | -21.3 | 0 | 0 | 0 | 113 | Q1362 F1363 | Q1362-D1366 VanDerWaalsContact O-CG 3.27Å; Q1362-D1366 PolarHBondContact O-N 2.79Å; F1363-D1366 PolarHBondContact O-N 3.34Å |
| 1367 | C | 33.4 | Very low | 37.2 | Very low | 54 Ų | 54 | 90.5 Ų | 90.5 | 37% | 0.365 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -91.5 | -10.5 | -177.9 | -65.9 | 0 | 0 | 0 | 0 | 114.7 | Y1237 F1363 I1365 | Y1237-C1367 HydrophobicContact CE1-CB 4.25Å; F1363-C1367 VanDerWaalsContact CE1-SG 3.5Å; F1363-C1367 VanDerWaalsContact CZ-SG 3.55Å; F1363-C1367 WeakPolarHBondContact O-CB 3.36Å; F1363-C1367 PolarHBondContact O-N 3.22Å; F1363-C1367 PolarHBondContact O-SG 3.2Å; I1365-C1367 VanDerWaalsContact C-N 3.32Å; I1365-C1367 PolarHBondContact O-N 3.26Å |
| 1368 | L | 32.6 | Very low | 36.5 | Very low | 81 Ų | 81 | 93.2 Ų | 93.2 | 42% | 0.424 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -85.1 | 118.2 | 178.2 | -86.2 | 158.2 | 0 | 0 | 0 | 109.6 | C1364 S1370 | C1364-L1368 VanDerWaalsContact O-CD1 3.31Å; C1364-L1368 WeakPolarHBondContact O-CD1 3.3Å; C1364-L1368 WeakPolarHBondContact O-CG 3.45Å; C1364-L1368 PolarHBondContact O-N 3.3Å; L1368-S1370 PolarHBondContact O-N 2.73Å |
| 1369 | P | 30.4 | Very low | 35.7 | Very low | 116 Ų | 116 | 98 Ų | 98 | 75% | 0.753 | 57% | 0.569 | S | S | * | * | trans | -63.8 | 116.1 | 177.9 | 24.8 | -30.2 | 0 | 0 | 0 | 108.7 | P1371 | P1369-P1371 VanDerWaalsContact O-CD 3.28Å; P1369-P1371 WeakPolarHBondContact O-CD 3.32Å; P1369-P1371 VanDerWaalsContact O-N 3.08Å | ||
| 1370 | S | 29.9 | Very low | 35 | Very low | 111 Ų | 111 | 99.1 Ų | 99.1 | 78% | 0.776 | 57% | 0.574 | S | S | * | * | trans | -42.5 | 109.6 | -176.6 | 53.9 | 0 | 0 | 0 | 0 | 112.4 | L1368 | L1368-S1370 PolarHBondContact O-N 2.73Š| ||
| 1371 | P | 33.9 | Very low | 34.3 | Very low | 114 Ų | 114 | 103.9 Ų | 103.9 | 74% | 0.74 | 60% | 0.599 | S | S | * | * | trans | -74.4 | 132 | 166.3 | 29.5 | -26.7 | 0 | 0 | 0 | 107.4 | P1369 T1373 | P1369-P1371 VanDerWaalsContact O-CD 3.28Å; P1369-P1371 WeakPolarHBondContact O-CD 3.32Å; P1369-P1371 VanDerWaalsContact O-N 3.08Å; P1371-T1373 PolarHBondContact O-N 2.88Å; P1371-T1373 VanDerWaalsContact O-N 3.13Å | ||
| 1372 | S | 31.7 | Very low | 33.8 | Very low | 114 Ų | 114 | 107.5 Ų | 107.5 | 80% | 0.797 | 62% | 0.621 | S | S | * | * | trans | -37.5 | 115.9 | -176.4 | 50 | 0 | 0 | 0 | 0 | 113.5 | L1374 | S1372-L1374 PolarHBondContact O-N 3.43Å; S1372-L1374 VanDerWaalsContact O-N 3.11Å | ||
| 1373 | T | 29.4 | Very low | 33.1 | Very low | 132 Ų | 132 | 111.7 Ų | 111.7 | 81% | 0.81 | 63% | 0.633 | S | S | * | * | trans | -43.6 | 101 | 173.3 | 49.6 | 0 | 0 | 0 | 0 | 113.4 | P1371 | P1371-T1373 PolarHBondContact O-N 2.88Å; P1371-T1373 VanDerWaalsContact O-N 3.13Å | ||
| 1374 | L | 30.7 | Very low | 32.6 | Very low | 165 Ų | 165 | 113.2 Ų | 113.2 | 86% | 0.864 | 65% | 0.647 | S | S | * | * | trans | -160.4 | 117.6 | 150 | -90.1 | 125.1 | 0 | 0 | 0 | 108.8 | S1372 | S1372-L1374 PolarHBondContact O-N 3.43Å; S1372-L1374 VanDerWaalsContact O-N 3.11Å | ||
| 1375 | S | 31.9 | Very low | 32.1 | Very low | 116 Ų | 116 | 116.9 Ų | 116.9 | 81% | 0.811 | 67% | 0.673 | S | S | * | * | S | Bend | trans | 89.3 | 60 | 167.4 | 79.2 | 0 | 0 | 0 | 0 | 120.1 | ||
| 1376 | C | 28.5 | Very low | 31.8 | Very low | 107 Ų | 107 | 118.5 Ų | 118.5 | 72% | 0.723 | 69% | 0.69 | S | S | * | * | trans | -139.4 | 40.5 | 160.6 | -71.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1377 | D | 30.5 | Very low | 31.3 | Very low | 155 Ų | 155 | 119.8 Ų | 119.8 | 83% | 0.829 | 69% | 0.69 | S | S | * | * | trans | -102.5 | 16 | -172.3 | -83.6 | -18.5 | 0 | 0 | 0 | 116.1 | ||||
| 1378 | G | 34.6 | Very low | 31.1 | Very low | 74 Ų | 74 | 121.3 Ų | 121.3 | 76% | 0.763 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -85.1 | -40.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 1379 | Y | 30 | Very low | 30.7 | Very low | 177 Ų | 177 | 124.9 Ų | 124.9 | 69% | 0.694 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -116.1 | -8.6 | -165 | -142.5 | -95.2 | 0 | 0 | 0 | 114.2 | ||
| 1380 | Y | 31.3 | Very low | 30.5 | Very low | 123 Ų | 123 | 129.7 Ų | 129.7 | 48% | 0.482 | 73% | 0.731 | S | S | . | * | H | α-helix | trans | -75.3 | -28.6 | -171.6 | -126.7 | -88.8 | 0 | 0 | 0 | 113.5 | V1384 | Y1380-V1384 HydrophobicContact CD1-CG2 4.07Å; Y1380-V1384 HydrophobicContact CE1-CG2 4.3Å; Y1380-V1384 PolarHBondContact O-N 2.8Å |
| 1381 | N | 30.9 | Very low | 30.3 | Very low | 120 Ų | 120 | 134.1 Ų | 134.1 | 64% | 0.642 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -74.3 | -25.9 | -176.4 | -80 | -27.1 | 0 | 0 | 0 | 113.7 | S1385 | N1381-S1385 PolarHBondContact O-OG 3.24Å |
| 1382 | D | 33.6 | Very low | 29.9 | Very low | 135 Ų | 135 | 133.8 Ų | 133.8 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | H | α-helix | trans | -77.9 | -29.4 | 179.6 | -73 | -14.2 | 0 | 0 | 0 | 112.1 | ||
| 1383 | Y | 31.2 | Very low | 29.7 | Very low | 193 Ų | 193 | 133.7 Ų | 133.7 | 76% | 0.757 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -80.7 | -33.8 | -179.7 | -161.3 | -104.2 | 0 | 0 | 0 | 113.3 | ||
| 1384 | V | 30.1 | Very low | 29.6 | Very low | 83 Ų | 83 | 134.7 Ų | 134.7 | 50% | 0.503 | 74% | 0.744 | S | S | . | * | H | α-helix | trans | -86.5 | -21.2 | -174.2 | -179.7 | 0 | 0 | 0 | 0 | 113.3 | Y1380 S1386 K1387 | Y1380-V1384 HydrophobicContact CD1-CG2 4.07Å; Y1380-V1384 HydrophobicContact CE1-CG2 4.3Å; Y1380-V1384 PolarHBondContact O-N 2.8Å; V1384-S1386 PolarHBondContact O-N 3.49Å; V1384-K1387 PolarHBondContact O-N 3.26Å |
| 1385 | S | 28.7 | Very low | 29.4 | Very low | 101 Ų | 101 | 136.3 Ų | 136.3 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -3.7 | -174.2 | -63.4 | 0 | 0 | 0 | 0 | 115.2 | N1381 | N1381-S1385 PolarHBondContact O-OG 3.24Š|
| 1386 | S | 34.7 | Very low | 29.2 | Very low | 100 Ų | 100 | 139.3 Ų | 139.3 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -1.2 | 175.9 | 69.5 | 0 | 0 | 0 | 0 | 115.6 | V1384 | V1384-S1386 PolarHBondContact O-N 3.49Š|
| 1387 | K | 29.7 | Very low | 29.1 | Very low | 145 Ų | 145 | 142.7 Ų | 142.7 | 63% | 0.63 | 76% | 0.756 | S | S | * | * | trans | -136.7 | 77.1 | -178.3 | -72.1 | -174.7 | 179.4 | 175.6 | 0 | 113.1 | V1384 | V1384-K1387 PolarHBondContact O-N 3.26Š| ||
| 1388 | A | 27.9 | Very low | 29 | Very low | 86 Ų | 86 | 142 Ų | 142 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | trans | -123.7 | 102.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1389 | N | 25.9 | Very low | 28.8 | Very low | 155 Ų | 155 | 145 Ų | 145 | 83% | 0.829 | 76% | 0.761 | S | S | * | * | trans | 155.9 | 87.9 | 142 | -79.6 | -20.1 | 0 | 0 | 0 | 110.3 | ||||
| 1390 | Y | 25.4 | Very low | 28.7 | Very low | 218 Ų | 218 | 140.4 Ų | 140.4 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | trans | -120.4 | 120.7 | 166 | -78.3 | -83 | 0 | 0 | 0 | 109.1 | ||||
| 1391 | Q | 25.5 | Very low | 28.7 | Very low | 204 Ų | 204 | 139.8 Ų | 139.8 | 95% | 0.953 | 79% | 0.787 | S | S | * | * | trans | -90.4 | 127.2 | 172 | -83.8 | -177.3 | -23.3 | 0 | 0 | 109.6 | ||||
| 1392 | A | 26.6 | Very low | 28.5 | Very low | 106 Ų | 106 | 140.8 Ų | 140.8 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | trans | -80.6 | 140 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1393 | C | 26.2 | Very low | 28.1 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | trans | -135 | 140.6 | 170.5 | -152.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1394 | D | 27.5 | Very low | 27.8 | Very low | 153 Ų | 153 | 141.2 Ų | 141.2 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -110 | 118.1 | -169.2 | -103.5 | -36.2 | 0 | 0 | 0 | 110.5 | ||||
| 1395 | Q | 27.5 | Very low | 27.6 | Very low | 199 Ų | 199 | 143.3 Ų | 143.3 | 93% | 0.93 | 82% | 0.824 | S | S | * | * | trans | -144.7 | 137.1 | 157.1 | -71.7 | -164.3 | -4.2 | 0 | 0 | 112.7 | ||||
| 1396 | K | 26.6 | Very low | 27.4 | Very low | 178 Ų | 178 | 147.4 Ų | 147.4 | 77% | 0.774 | 83% | 0.832 | S | S | * | * | trans | -107 | 137.5 | -173.5 | -73.7 | 174.3 | 176.8 | 169.4 | 0 | 111.4 | ||||
| 1397 | L | 26.5 | Very low | 27.1 | Very low | 178 Ų | 178 | 147.4 Ų | 147.4 | 93% | 0.932 | 83% | 0.828 | S | S | * | * | trans | -115.4 | 152.3 | 171.4 | -125.2 | 95.6 | 0 | 0 | 0 | 111.9 | ||||
| 1398 | V | 28.1 | Very low | 27.2 | Very low | 141 Ų | 141 | 144.2 Ų | 144.2 | 86% | 0.855 | 84% | 0.836 | S | S | * | * | trans | -108.1 | 135 | -172.4 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1399 | T | 31.6 | Very low | 27.2 | Very low | 138 Ų | 138 | 148.9 Ų | 148.9 | 85% | 0.847 | 84% | 0.841 | S | S | * | * | trans | -99.5 | 149.4 | -177 | 45.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1400 | G | 27.8 | Very low | 27.5 | Very low | 80 Ų | 80 | 146.6 Ų | 146.6 | 83% | 0.825 | 84% | 0.837 | S | S | * | * | trans | -118.3 | 146.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1401 | A | 30.1 | Very low | 27.8 | Very low | 109 Ų | 109 | 142.6 Ų | 142.6 | 90% | 0.901 | 83% | 0.83 | S | S | * | * | trans | 9.9 | 118.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1402 | T | 27 | Very low | 28.3 | Very low | 141 Ų | 141 | 142 Ų | 142 | 87% | 0.865 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 137.4 | 169.9 | 39.3 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1403 | L | 25.9 | Very low | 28.6 | Very low | 180 Ų | 180 | 143.8 Ų | 143.8 | 94% | 0.942 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 132.2 | 170.9 | -108.6 | 150.9 | 0 | 0 | 0 | 110.5 | ||
| 1404 | L | 25.1 | Very low | 29 | Very low | 158 Ų | 158 | 141.1 Ų | 141.1 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 134.6 | -175.2 | -97.2 | 142.9 | 0 | 0 | 0 | 112 | ||
| 1405 | V | 25.7 | Very low | 29.3 | Very low | 127 Ų | 127 | 138.8 Ų | 138.8 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | trans | -124.2 | 114.9 | 167.5 | 179.3 | 0 | 0 | 0 | 0 | 108.5 | V1407 | V1405-V1407 HydrophobicContact CG1-CG2 4.27Š| ||
| 1406 | E | 24.8 | Very low | 29.6 | Very low | 186 Ų | 186 | 135.2 Ų | 135.2 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | trans | -89.6 | 126.3 | 172.5 | -77.2 | -176.2 | 151.6 | 0 | 0 | 110.2 | ||||
| 1407 | V | 28.4 | Very low | 30 | Very low | 100 Ų | 100 | 132 Ų | 132 | 61% | 0.606 | 77% | 0.767 | S | S | * | * | trans | -112.5 | 119.5 | 176.9 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | V1405 F1409 | V1405-V1407 HydrophobicContact CG1-CG2 4.27Å; V1407-F1409 WeakPolarHBondContact O-CD2 3.39Å; V1407-F1409 WeakPolarHBondContact O-CE2 3.3Å | ||
| 1408 | G | 30.7 | Very low | 30.3 | Very low | 79 Ų | 79 | 125.4 Ų | 125.4 | 81% | 0.814 | 74% | 0.738 | S | S | * | * | trans | -74.1 | 129.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1409 | F | 29.3 | Very low | 30.7 | Very low | 184 Ų | 184 | 124.5 Ų | 124.5 | 81% | 0.807 | 72% | 0.723 | S | S | * | * | trans | -93.7 | 122.9 | -171.7 | -63.1 | -89.6 | 0 | 0 | 0 | 112.7 | V1407 | V1407-F1409 WeakPolarHBondContact O-CD2 3.39Å; V1407-F1409 WeakPolarHBondContact O-CE2 3.3Å | ||
| 1410 | S | 31.6 | Very low | 30.9 | Very low | 107 Ų | 107 | 121.1 Ų | 121.1 | 75% | 0.748 | 71% | 0.705 | S | S | * | * | trans | -176.7 | 80.6 | 148.1 | 42.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1411 | N | 32 | Very low | 31.2 | Very low | 134 Ų | 134 | 120.8 Ų | 120.8 | 72% | 0.717 | 68% | 0.684 | S | S | * | * | trans | 168.7 | 126.8 | 146.3 | -84.5 | -21.3 | 0 | 0 | 0 | 109 | D1413 A1414 | N1411-D1413 VanDerWaalsContact C-N 3.26Å; N1411-D1413 PolarHBondContact O-N 2.93Å; N1411-D1413 VanDerWaalsContact O-N 3.13Å; N1411-A1414 VanDerWaalsContact O-CB 3.24Å; N1411-A1414 WeakPolarHBondContact O-CB 3.49Å; N1411-A1414 PolarHBondContact O-N 3.45Å | ||
| 1412 | F | 34.7 | Very low | 31.5 | Very low | 190 Ų | 190 | 118.8 Ų | 118.8 | 83% | 0.833 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -23.4 | -166.5 | -81.7 | -92.5 | 0 | 0 | 0 | 115.4 | A1414 F1415 | F1412-A1414 PolarHBondContact O-N 2.76Å; F1412-F1415 PolarHBondContact O-N 2.74Å |
| 1413 | D | 34.6 | Very low | 32 | Very low | 145 Ų | 145 | 115.3 Ų | 115.3 | 78% | 0.775 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -69.5 | -20.9 | 173.9 | -66.2 | -32.4 | 0 | 0 | 0 | 112.7 | N1411 F1415 L1417 | N1411-D1413 VanDerWaalsContact C-N 3.26Å; N1411-D1413 PolarHBondContact O-N 2.93Å; N1411-D1413 VanDerWaalsContact O-N 3.13Å; D1413-F1415 VanDerWaalsContact C-N 3.31Å; D1413-F1415 PolarHBondContact O-N 3.43Å; D1413-L1417 PolarHBondContact O-N 2.78Å |
| 1414 | A | 32.7 | Very low | 32.6 | Very low | 57 Ų | 57 | 111.8 Ų | 111.8 | 47% | 0.471 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -73.1 | -21.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | N1411 F1412 A1418 | N1411-A1414 VanDerWaalsContact O-CB 3.24Å; N1411-A1414 WeakPolarHBondContact O-CB 3.49Å; N1411-A1414 PolarHBondContact O-N 3.45Å; F1412-A1414 PolarHBondContact O-N 2.76Å; A1414-A1418 WeakPolarHBondContact O-CB 3.4Å; A1414-A1418 PolarHBondContact O-N 3.01Å |
| 1415 | F | 34.4 | Very low | 33.2 | Very low | 103 Ų | 103 | 107.4 Ų | 107.4 | 45% | 0.452 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -76.7 | -41.9 | -179.3 | -173.4 | -92 | 0 | 0 | 0 | 112.6 | F1412 D1413 L1417 A1418 F1419 | F1412-F1415 PolarHBondContact O-N 2.74Å; D1413-F1415 VanDerWaalsContact C-N 3.31Å; D1413-F1415 PolarHBondContact O-N 3.43Å; F1415-L1417 VanDerWaalsContact C-N 3.27Å; F1415-L1417 PolarHBondContact O-N 2.81Å; F1415-A1418 PolarHBondContact O-N 3.29Å; F1415-F1419 HydrophobicContact CE1-CB 4.48Å; F1415-F1419 WeakPolarHBondContact O-CB 3.43Å; F1415-F1419 PolarHBondContact O-N 3.48Å |
| 1416 | D | 34.4 | Very low | 33.8 | Very low | 125 Ų | 125 | 106.5 Ų | 106.5 | 67% | 0.668 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.3 | -38.9 | 173.1 | -81.1 | -23 | 0 | 0 | 0 | 110.4 | S1420 | D1416-S1420 WeakPolarHBondContact O-CB 3.45Å; D1416-S1420 PolarHBondContact O-N 3.44Å |
| 1417 | L | 35.1 | Very low | 34.6 | Very low | 110 Ų | 110 | 99.2 Ų | 99.2 | 58% | 0.576 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.5 | -41.4 | 173.7 | -164 | 71 | 0 | 0 | 0 | 111.5 | D1413 F1415 N1421 | D1413-L1417 PolarHBondContact O-N 2.78Å; F1415-L1417 VanDerWaalsContact C-N 3.27Å; F1415-L1417 PolarHBondContact O-N 2.81Å; L1417-N1421 WeakPolarHBondContact O-CA 3.38Å; L1417-N1421 WeakPolarHBondContact O-CB 3.47Å; L1417-N1421 PolarHBondContact O-N 3.09Å; L1417-N1421 PolarHBondContact O-ND2 2.99Å; L1417-N1421 PolarHBondContact O-OD1 2.98Å |
| 1418 | A | 33 | Very low | 35.2 | Very low | 40 Ų | 40 | 96.7 Ų | 96.7 | 33% | 0.331 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -71.2 | -41 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1414 F1415 N1421 S1422 | A1414-A1418 WeakPolarHBondContact O-CB 3.4Å; A1414-A1418 PolarHBondContact O-N 3.01Å; F1415-A1418 PolarHBondContact O-N 3.29Å; A1418-N1421 CarbonylContact O-C 3.38Å; A1418-N1421 PolarHBondContact O-N 3.27Å; A1418-S1422 VanDerWaalsContact O-CB 3.22Å; A1418-S1422 WeakPolarHBondContact O-CB 3.48Å; A1418-S1422 PolarHBondContact O-N 2.83Å; A1418-S1422 PolarHBondContact O-OG 2.96Å |
| 1419 | F | 36.5 | Very low | 35.7 | Very low | 121 Ų | 121 | 97.4 Ų | 97.4 | 53% | 0.531 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.9 | -45 | 174.9 | -178 | -95.2 | 0 | 0 | 0 | 110.7 | F1415 N1421 S1422 V1423 | F1415-F1419 HydrophobicContact CE1-CB 4.48Å; F1415-F1419 WeakPolarHBondContact O-CB 3.43Å; F1415-F1419 PolarHBondContact O-N 3.48Å; F1419-N1421 VanDerWaalsContact C-N 3.33Å; F1419-N1421 PolarHBondContact O-N 3.5Å; F1419-S1422 PolarHBondContact O-N 2.76Å; F1419-V1423 HydrophobicContact CD1-CG2 4.26Å; F1419-V1423 HydrophobicContact CD2-CG2 4.42Å; F1419-V1423 HydrophobicContact CE1-CG2 3.9Å; F1419-V1423 HydrophobicContact CE2-CG2 4.08Å; F1419-V1423 HydrophobicContact CZ-CG2 3.8Å; F1419-V1423 WeakPolarHBondContact O-CB 3.03Å; F1419-V1423 VanDerWaalsContact O-CG2 3.32Å; F1419-V1423 WeakPolarHBondContact O-CG2 3.46Å; F1419-V1423 PolarHBondContact O-N 3.32Å |
| 1420 | S | 35.3 | Very low | 36.2 | Very low | 68 Ų | 68 | 94.4 Ų | 94.4 | 48% | 0.476 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 172.9 | -166.8 | 0 | 0 | 0 | 0 | 110.8 | D1416 M1424 | D1416-S1420 WeakPolarHBondContact O-CB 3.45Å; D1416-S1420 PolarHBondContact O-N 3.44Å; S1420-M1424 WeakPolarHBondContact O-CA 3.18Å; S1420-M1424 WeakPolarHBondContact O-CB 3.43Å; S1420-M1424 PolarHBondContact O-N 2.96Å |
| 1421 | N | 34.7 | Very low | 36.8 | Very low | 72 Ų | 72 | 91.5 Ų | 91.5 | 39% | 0.385 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.8 | -35.4 | 178.2 | -74.2 | -12.2 | 0 | 0 | 0 | 112.6 | L1417 A1418 F1419 S1425 | L1417-N1421 WeakPolarHBondContact O-CA 3.38Å; L1417-N1421 WeakPolarHBondContact O-CB 3.47Å; L1417-N1421 PolarHBondContact O-N 3.09Å; L1417-N1421 PolarHBondContact O-ND2 2.99Å; L1417-N1421 PolarHBondContact O-OD1 2.98Å; A1418-N1421 CarbonylContact O-C 3.38Å; A1418-N1421 PolarHBondContact O-N 3.27Å; F1419-N1421 VanDerWaalsContact C-N 3.33Å; F1419-N1421 PolarHBondContact O-N 3.5Å; N1421-S1425 WeakPolarHBondContact O-CA 3.12Å; N1421-S1425 WeakPolarHBondContact O-CB 3.28Å; N1421-S1425 PolarHBondContact O-N 3.26Å |
| 1422 | S | 36.1 | Very low | 37.4 | Very low | 68 Ų | 68 | 87.1 Ų | 87.1 | 48% | 0.476 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -74.6 | -42.3 | 179.1 | -68.4 | 0 | 0 | 0 | 0 | 110.9 | A1418 F1419 L1426 | A1418-S1422 VanDerWaalsContact O-CB 3.22Å; A1418-S1422 WeakPolarHBondContact O-CB 3.48Å; A1418-S1422 PolarHBondContact O-N 2.83Å; A1418-S1422 PolarHBondContact O-OG 2.96Å; F1419-S1422 PolarHBondContact O-N 2.76Å; S1422-L1426 VanDerWaalsContact O-CB 3.23Å; S1422-L1426 WeakPolarHBondContact O-CB 3.42Å; S1422-L1426 WeakPolarHBondContact O-CD1 3.46Å; S1422-L1426 VanDerWaalsContact O-CG 3.24Å; S1422-L1426 WeakPolarHBondContact O-CG 3.39Å; S1422-L1426 PolarHBondContact O-N 3.14Å |
| 1423 | V | 37 | Very low | 37.9 | Very low | 68 Ų | 68 | 85.2 Ų | 85.2 | 41% | 0.412 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.5 | -43.7 | 173.5 | 175.1 | 0 | 0 | 0 | 0 | 110.3 | F1419 S1427 | F1419-V1423 HydrophobicContact CD1-CG2 4.26Å; F1419-V1423 HydrophobicContact CD2-CG2 4.42Å; F1419-V1423 HydrophobicContact CE1-CG2 3.9Å; F1419-V1423 HydrophobicContact CE2-CG2 4.08Å; F1419-V1423 HydrophobicContact CZ-CG2 3.8Å; F1419-V1423 WeakPolarHBondContact O-CB 3.03Å; F1419-V1423 VanDerWaalsContact O-CG2 3.32Å; F1419-V1423 WeakPolarHBondContact O-CG2 3.46Å; F1419-V1423 PolarHBondContact O-N 3.32Å; V1423-S1427 WeakPolarHBondContact O-CB 3.47Å; V1423-S1427 PolarHBondContact O-N 3.46Å; V1423-S1427 PolarHBondContact O-OG 3.39Å |
| 1424 | M | 37.9 | Very low | 38.5 | Very low | 105 Ų | 105 | 83.2 Ų | 83.2 | 52% | 0.517 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 176.6 | -169.1 | 169.1 | 77.3 | 0 | 0 | 110.9 | S1420 S1427 C1428 | S1420-M1424 WeakPolarHBondContact O-CA 3.18Å; S1420-M1424 WeakPolarHBondContact O-CB 3.43Å; S1420-M1424 PolarHBondContact O-N 2.96Å; M1424-S1427 PolarHBondContact O-N 3.36Å; M1424-C1428 WeakPolarHBondContact O-CB 3.5Å; M1424-C1428 PolarHBondContact O-N 3.03Å; M1424-C1428 PolarHBondContact O-SG 3.47Å |
| 1425 | S | 38.5 | Very low | 39.3 | Very low | 66 Ų | 66 | 82.4 Ų | 82.4 | 46% | 0.462 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.2 | -45.5 | 177.5 | -169.8 | 0 | 0 | 0 | 0 | 111.3 | N1421 S1427 C1428 L1429 | N1421-S1425 WeakPolarHBondContact O-CA 3.12Å; N1421-S1425 WeakPolarHBondContact O-CB 3.28Å; N1421-S1425 PolarHBondContact O-N 3.26Å; S1425-S1427 VanDerWaalsContact C-N 3.32Å; S1425-S1427 PolarHBondContact O-N 3.12Å; S1425-C1428 PolarHBondContact O-N 3.31Å; S1425-L1429 VanDerWaalsContact O-CB 3.23Å; S1425-L1429 WeakPolarHBondContact O-CB 3.46Å; S1425-L1429 WeakPolarHBondContact O-CG 3.5Å; S1425-L1429 PolarHBondContact O-N 3.43Å |
| 1426 | L | 38.9 | Very low | 40.2 | Very low | 109 Ų | 109 | 80.1 Ų | 80.1 | 57% | 0.571 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -63.5 | -37 | 173.9 | -75.3 | 165.1 | 0 | 0 | 0 | 112.5 | S1422 D1430 | S1422-L1426 VanDerWaalsContact O-CB 3.23Å; S1422-L1426 WeakPolarHBondContact O-CB 3.42Å; S1422-L1426 WeakPolarHBondContact O-CD1 3.46Å; S1422-L1426 VanDerWaalsContact O-CG 3.24Å; S1422-L1426 WeakPolarHBondContact O-CG 3.39Å; S1422-L1426 PolarHBondContact O-N 3.14Å; L1426-D1430 PolarHBondContact O-N 3.37Å |
| 1427 | S | 40 | Very low | 41.2 | Very low | 32 Ų | 32 | 76.6 Ų | 76.6 | 22% | 0.224 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -69.8 | -46.9 | 176.8 | -55.5 | 0 | 0 | 0 | 0 | 111.1 | V1423 M1424 S1425 L1429 D1430 S1431 | V1423-S1427 WeakPolarHBondContact O-CB 3.47Å; V1423-S1427 PolarHBondContact O-N 3.46Å; V1423-S1427 PolarHBondContact O-OG 3.39Å; M1424-S1427 PolarHBondContact O-N 3.36Å; S1425-S1427 VanDerWaalsContact C-N 3.32Å; S1425-S1427 PolarHBondContact O-N 3.12Å; S1427-L1429 VanDerWaalsContact C-N 3.31Å; S1427-L1429 PolarHBondContact O-N 3.21Å; S1427-D1430 PolarHBondContact O-N 3.36Å; S1427-S1431 PolarHBondContact O-N 2.69Å; S1427-S1431 VanDerWaalsContact O-N 3.09Å; S1427-S1431 PolarHBondContact O-OG 2.81Å |
| 1428 | C | 40.9 | Very low | 42.3 | Very low | 47 Ų | 47 | 74.2 Ų | 74.2 | 32% | 0.318 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.1 | -35 | 177 | -71.4 | 0 | 0 | 0 | 0 | 111.7 | M1424 S1425 S1431 L1432 V1435 | M1424-C1428 WeakPolarHBondContact O-CB 3.5Å; M1424-C1428 PolarHBondContact O-N 3.03Å; M1424-C1428 PolarHBondContact O-SG 3.47Å; S1425-C1428 PolarHBondContact O-N 3.31Å; C1428-S1431 CarbonylContact O-C 3.52Å; C1428-S1431 PolarHBondContact O-N 3.09Å; C1428-L1432 WeakPolarHBondContact O-CA 3.44Å; C1428-L1432 WeakPolarHBondContact O-CD2 3.05Å; C1428-L1432 WeakPolarHBondContact O-CG 3.44Å; C1428-L1432 PolarHBondContact O-N 3.35Å; C1428-V1435 HydrophobicContact CB-CG2 4.14Å |
| 1429 | L | 41.8 | Very low | 43.6 | Very low | 94 Ų | 94 | 76.9 Ų | 76.9 | 49% | 0.492 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65 | -41.2 | 176 | -78.1 | 171.2 | 0 | 0 | 0 | 112 | S1425 S1427 L1432 | S1425-L1429 VanDerWaalsContact O-CB 3.23Å; S1425-L1429 WeakPolarHBondContact O-CB 3.46Å; S1425-L1429 WeakPolarHBondContact O-CG 3.5Å; S1425-L1429 PolarHBondContact O-N 3.43Å; S1427-L1429 VanDerWaalsContact C-N 3.31Å; S1427-L1429 PolarHBondContact O-N 3.21Å; L1429-L1432 HydrophobicContact CD2-CD1 3.96Å; L1429-L1432 WeakPolarHBondContact O-CD1 3.35Å; L1429-L1432 WeakPolarHBondContact O-CG 3.38Å |
| 1430 | D | 40.7 | Very low | 44.9 | Very low | 122 Ų | 122 | 79.8 Ų | 79.8 | 65% | 0.652 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -73.7 | -26.9 | 177.9 | -74.9 | -17.2 | 0 | 0 | 0 | 112.8 | K1257 L1426 S1427 | K1257-D1430 IonicContact NZ-OD2 3.01Å; K1257-D1430 PolarHBondContact NZ-OD2 3.03Å; L1426-D1430 PolarHBondContact O-N 3.37Å; S1427-D1430 PolarHBondContact O-N 3.36Å |
| 1431 | S | 43.8 | Very low | 46.5 | Very low | 45 Ų | 45 | 79.6 Ų | 79.6 | 32% | 0.315 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | 31.8 | -179.5 | 66.5 | 0 | 0 | 0 | 0 | 112.1 | S1427 C1428 D1433 D1434 V1435 | S1427-S1431 PolarHBondContact O-N 2.69Å; S1427-S1431 VanDerWaalsContact O-N 3.09Å; S1427-S1431 PolarHBondContact O-OG 2.81Å; C1428-S1431 CarbonylContact O-C 3.52Å; C1428-S1431 PolarHBondContact O-N 3.09Å; S1431-D1433 PolarHBondContact O-N 2.85Å; S1431-D1434 WeakPolarHBondContact O-CA 3.45Å; S1431-D1434 WeakPolarHBondContact O-CB 3.45Å; S1431-D1434 PolarHBondContact O-N 3.26Å; S1431-V1435 WeakPolarHBondContact O-CG2 3.25Å; S1431-V1435 PolarHBondContact O-N 3.39Å |
| 1432 | L | 45.4 | Very low | 48.4 | Very low | 43 Ų | 43 | 83 Ų | 83 | 23% | 0.225 | 46% | 0.457 | C | S | . | . | G | 310 helix | trans | -56.1 | -37.6 | -173.3 | -88.3 | 166.4 | 0 | 0 | 0 | 112.6 | C1428 L1429 D1434 V1435 L1660 | C1428-L1432 WeakPolarHBondContact O-CA 3.44Å; C1428-L1432 WeakPolarHBondContact O-CD2 3.05Å; C1428-L1432 WeakPolarHBondContact O-CG 3.44Å; C1428-L1432 PolarHBondContact O-N 3.35Å; L1429-L1432 HydrophobicContact CD2-CD1 3.96Å; L1429-L1432 WeakPolarHBondContact O-CD1 3.35Å; L1429-L1432 WeakPolarHBondContact O-CG 3.38Å; L1432-D1434 PolarHBondContact O-N 3.11Å; L1432-V1435 PolarHBondContact O-N 3.06Å; L1432-L1660 HydrophobicContact CB-CD1 4.21Å; L1432-L1660 HydrophobicContact CD1-CD1 3.77Å; L1432-L1660 HydrophobicContact CD2-CD1 3.62Å; L1432-L1660 HydrophobicContact CG-CD1 4.03Å |
| 1433 | D | 44.9 | Very low | 50.2 | Low | 149 Ų | 149 | 84.5 Ų | 84.5 | 80% | 0.797 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -67.3 | -20.7 | -179.9 | -63.8 | -29.9 | 0 | 0 | 0 | 111.9 | S1431 | S1431-D1433 PolarHBondContact O-N 2.85Š|
| 1434 | D | 47 | Very low | 51.8 | Low | 104 Ų | 104 | 82 Ų | 82 | 56% | 0.556 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -95.6 | -5.6 | 177.8 | -52.8 | -39.2 | 0 | 0 | 0 | 113.1 | S1431 L1432 V1436 | S1431-D1434 WeakPolarHBondContact O-CA 3.45Å; S1431-D1434 WeakPolarHBondContact O-CB 3.45Å; S1431-D1434 PolarHBondContact O-N 3.26Å; L1432-D1434 PolarHBondContact O-N 3.11Å; D1434-V1436 PolarHBondContact O-N 3.1Å; D1434-V1436 VanDerWaalsContact O-N 3.17Å |
| 1435 | V | 50.2 | Low | 53.5 | Low | 40 Ų | 40 | 81.8 Ų | 81.8 | 24% | 0.242 | 44% | 0.441 | C | S | . | . | trans | -80.3 | 101.4 | -177.4 | 179.4 | 0 | 0 | 0 | 0 | 109.8 | C1428 S1431 L1432 I1663 | C1428-V1435 HydrophobicContact CB-CG2 4.14Å; S1431-V1435 WeakPolarHBondContact O-CG2 3.25Å; S1431-V1435 PolarHBondContact O-N 3.39Å; L1432-V1435 PolarHBondContact O-N 3.06Å; V1435-I1663 WeakPolarHBondContact O-CD1 3.45Å | ||
| 1436 | V | 53.2 | Low | 55.5 | Low | 54 Ų | 54 | 86.6 Ų | 86.6 | 33% | 0.327 | 45% | 0.449 | S | S | . | . | trans | -86.3 | 119.1 | 173.2 | -175.7 | 0 | 0 | 0 | 0 | 110 | D1434 L1438 A1654 | D1434-V1436 PolarHBondContact O-N 3.1Å; D1434-V1436 VanDerWaalsContact O-N 3.17Å; V1436-L1438 PolarHBondContact O-N 3.32Å; V1436-A1654 HydrophobicContact CG1-CB 4.26Å | ||
| 1437 | L | 55 | Low | 57.3 | Low | 52 Ų | 52 | 82.6 Ų | 82.6 | 27% | 0.272 | 43% | 0.427 | S | S | . | . | trans | -75.4 | 112.6 | 170.5 | -155.4 | 88.2 | 0 | 0 | 0 | 109 | T1658 I1663 N1666 | L1437-T1658 WeakPolarHBondContact CB-OG1 3.42Å; L1437-I1663 HydrophobicContact CB-CG1 4.41Å; L1437-N1666 HydrophobicContact CD2-CB 4.35Å; L1437-N1666 WeakPolarHBondContact CD2-ND2 3.42Å | ||
| 1438 | L | 58.6 | Low | 59 | Low | 59 Ų | 59 | 85.3 Ų | 85.3 | 31% | 0.309 | 44% | 0.435 | S | S | . | . | trans | -75.6 | 128.3 | 174.4 | -64.9 | 167.9 | 0 | 0 | 0 | 109.8 | V1436 F1448 M1650 A1654 | V1436-L1438 PolarHBondContact O-N 3.32Å; L1438-F1448 HydrophobicContact CD1-CE2 3.9Å; L1438-F1448 HydrophobicContact CD1-CZ 3.46Å; L1438-F1448 VanDerWaalsContact CD1-CZ 3.46Å; L1438-M1650 HydrophobicContact CD1-CE 4.29Å; L1438-A1654 HydrophobicContact CD2-CB 3.54Å | ||
| 1439 | D | 60 | Low | 60.7 | Low | 96 Ų | 96 | 90.6 Ų | 90.6 | 51% | 0.513 | 45% | 0.448 | S | S | . | . | trans | -63.1 | 140.2 | 174.1 | -86 | -23.6 | 0 | 0 | 0 | 110.7 | T1441 A1444 P1655 | D1439-T1441 HydrophobicContact CB-CG2 3.83Å; D1439-T1441 PolarHBondContact O-N 3.23Å; D1439-A1444 WeakPolarHBondContact O-CB 3.46Å; D1439-P1655 HydrophobicContact CB-CG 4.37Å | ||
| 1440 | Q | 63.3 | Low | 62.5 | Low | 183 Ų | 183 | 90.3 Ų | 90.3 | 86% | 0.855 | 44% | 0.444 | S | S | * | . | trans | -73.6 | 55.8 | 175.7 | -69 | -172.9 | -12.6 | 0 | 0 | 111.7 | ||||
| 1441 | T | 69.2 | Low | 64.1 | Low | 64 Ų | 64 | 85 Ų | 85 | 39% | 0.393 | 42% | 0.415 | S | S | . | . | trans | -82.3 | 153.5 | 175.7 | 66.3 | 0 | 0 | 0 | 0 | 110.6 | D1439 Q1443 A1444 E1445 | D1439-T1441 HydrophobicContact CB-CG2 3.83Å; D1439-T1441 PolarHBondContact O-N 3.23Å; T1441-Q1443 PolarHBondContact O-N 3.02Å; T1441-A1444 PolarHBondContact O-N 2.9Å; T1441-A1444 WeakPolarHBondContact OG1-CB 3.28Å; T1441-A1444 PolarHBondContact OG1-N 2.97Å; T1441-E1445 PolarHBondContact O-N 3.5Å; T1441-E1445 VanDerWaalsContact O-N 3.12Å | ||
| 1442 | Q | 73.7 | Confident | 65.4 | Low | 143 Ų | 143 | 88.5 Ų | 88.5 | 67% | 0.668 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -59.6 | -25.5 | 170.5 | -70.8 | -172.7 | 5.4 | 0 | 0 | 112.1 | R1446 | Q1442-R1446 VanDerWaalsContact O-CG 3.23Å; Q1442-R1446 WeakPolarHBondContact O-CG 3.41Å; Q1442-R1446 PolarHBondContact O-N 3.16Å; Q1442-R1446 VanDerWaalsContact O-N 3.17Å |
| 1443 | Q | 75.3 | Confident | 66.8 | Low | 99 Ų | 99 | 90.8 Ų | 90.8 | 46% | 0.463 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -70.6 | -50.8 | 176.1 | -174.3 | 160.3 | 1.7 | 0 | 0 | 110.7 | T1441 E1445 R1446 H1447 E1653 | T1441-Q1443 PolarHBondContact O-N 3.02Å; Q1443-E1445 VanDerWaalsContact C-N 3.31Å; Q1443-E1445 PolarHBondContact O-N 3.41Å; Q1443-R1446 CarbonylContact O-C 3.54Å; Q1443-R1446 WeakPolarHBondContact O-CA 3.42Å; Q1443-R1446 WeakPolarHBondContact O-CB 3.36Å; Q1443-R1446 PolarHBondContact O-N 3.39Å; Q1443-H1447 PolarHBondContact O-CD2 2.99Å; Q1443-H1447 PolarHBondContact O-N 3.13Å; Q1443-E1653 VanDerWaalsContact CD-OE2 3.23Å; Q1443-E1653 WeakPolarHBondContact CG-OE2 3.47Å; Q1443-E1653 PolarHBondContact NE2-OE1 2.93Å; Q1443-E1653 PolarHBondContact NE2-OE2 3.29Å |
| 1444 | A | 70.1 | Confident | 68.3 | Low | 15 Ų | 15 | 84.8 Ų | 84.8 | 12% | 0.124 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -55.7 | -44 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | D1439 T1441 R1446 H1447 F1448 | D1439-A1444 WeakPolarHBondContact O-CB 3.46Å; T1441-A1444 PolarHBondContact O-N 2.9Å; T1441-A1444 WeakPolarHBondContact OG1-CB 3.28Å; T1441-A1444 PolarHBondContact OG1-N 2.97Å; A1444-R1446 VanDerWaalsContact C-N 3.28Å; A1444-R1446 PolarHBondContact O-N 2.95Å; A1444-H1447 PolarHBondContact O-N 3.41Å; A1444-F1448 WeakPolarHBondContact O-CD2 3.48Å; A1444-F1448 PolarHBondContact O-N 2.95Å |
| 1445 | E | 73.6 | Confident | 69.6 | Low | 102 Ų | 102 | 81.4 Ų | 81.4 | 48% | 0.477 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -58 | -38.6 | 173 | -83.7 | -161.1 | 156.6 | 0 | 0 | 113 | T1441 Q1443 R1449 | T1441-E1445 PolarHBondContact O-N 3.5Å; T1441-E1445 VanDerWaalsContact O-N 3.12Å; Q1443-E1445 VanDerWaalsContact C-N 3.31Å; Q1443-E1445 PolarHBondContact O-N 3.41Å; E1445-R1449 WeakPolarHBondContact O-CB 3.19Å; E1445-R1449 VanDerWaalsContact O-CG 3.28Å; E1445-R1449 WeakPolarHBondContact O-CG 3.44Å; E1445-R1449 PolarHBondContact O-N 2.96Å; E1445-R1449 IonicContact OE1-NH2 3.3Å; E1445-R1449 IonicContact OE2-CZ 2.65Å; E1445-R1449 IonicContact OE2-NH1 2.75Å; E1445-R1449 IonicContact OE2-NH2 3.21Å; E1445-R1449 PolarHBondContact OE2-NH2 3.13Å |
| 1446 | R | 79.2 | Confident | 70.5 | Confident | 166 Ų | 166 | 80.6 Ų | 80.6 | 63% | 0.626 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -67.3 | -43 | 176.4 | -73.2 | 169.8 | -171.2 | -172.9 | 5.1 | 111.2 | Q1442 Q1443 A1444 R1449 H1450 | Q1442-R1446 VanDerWaalsContact O-CG 3.23Å; Q1442-R1446 WeakPolarHBondContact O-CG 3.41Å; Q1442-R1446 PolarHBondContact O-N 3.16Å; Q1442-R1446 VanDerWaalsContact O-N 3.17Å; Q1443-R1446 CarbonylContact O-C 3.54Å; Q1443-R1446 WeakPolarHBondContact O-CA 3.42Å; Q1443-R1446 WeakPolarHBondContact O-CB 3.36Å; Q1443-R1446 PolarHBondContact O-N 3.39Å; A1444-R1446 VanDerWaalsContact C-N 3.28Å; A1444-R1446 PolarHBondContact O-N 2.95Å; R1446-R1449 PolarHBondContact O-N 3.13Å; R1446-H1450 WeakPolarHBondContact O-CB 3.42Å; R1446-H1450 PolarHBondContact O-N 3.42Å |
| 1447 | H | 77.1 | Confident | 71.7 | Confident | 26 Ų | 26 | 78.9 Ų | 78.9 | 12% | 0.12 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.5 | -47.2 | 174.9 | -75.8 | -78 | 0 | 0 | 0 | 111.2 | Q1443 A1444 R1449 H1450 I1451 M1650 E1653 | Q1443-H1447 PolarHBondContact O-CD2 2.99Å; Q1443-H1447 PolarHBondContact O-N 3.13Å; A1444-H1447 PolarHBondContact O-N 3.41Å; H1447-R1449 PolarHBondContact O-N 3.24Å; H1447-H1450 WeakPolarHBondContact O-CB 3.47Å; H1447-H1450 PolarHBondContact O-N 2.92Å; H1447-H1450 VanDerWaalsContact O-N 3.14Å; H1447-I1451 WeakPolarHBondContact O-CB 3.33Å; H1447-I1451 VanDerWaalsContact O-CG1 3.28Å; H1447-I1451 WeakPolarHBondContact O-CG1 3.42Å; H1447-I1451 PolarHBondContact O-N 2.93Å; H1447-M1650 HydrophobicContact CB-CB 4.02Å; H1447-M1650 HydrophobicContact CB-CG 3.78Å; H1447-M1650 HydrophobicContact CB-SD 4.05Å; H1447-E1653 IonicContact CD2-OE2 3.62Å; H1447-E1653 IonicContact CE1-OE2 2.94Å; H1447-E1653 IonicContact NE2-OE1 3.39Å; H1447-E1653 IonicContact NE2-OE2 3.21Å; H1447-E1653 PolarHBondContact NE2-OE2 3.28Å |
| 1448 | F | 76 | Confident | 73 | Confident | 89 Ų | 89 | 78 Ų | 78 | 39% | 0.39 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59 | -46.7 | 176 | -79.8 | -62 | 0 | 0 | 0 | 112.4 | L1438 A1444 H1450 I1451 D1452 M1650 | L1438-F1448 HydrophobicContact CD1-CE2 3.9Å; L1438-F1448 HydrophobicContact CD1-CZ 3.46Å; L1438-F1448 VanDerWaalsContact CD1-CZ 3.46Å; A1444-F1448 WeakPolarHBondContact O-CD2 3.48Å; A1444-F1448 PolarHBondContact O-N 2.95Å; F1448-H1450 VanDerWaalsContact C-N 3.29Å; F1448-H1450 PolarHBondContact O-N 3.09Å; F1448-I1451 PolarHBondContact O-N 3.23Å; F1448-D1452 VanDerWaalsContact O-CB 3.31Å; F1448-D1452 WeakPolarHBondContact O-CB 3.31Å; F1448-D1452 PolarHBondContact O-N 3.49Å; F1448-M1650 HydrophobicContact CD1-SD 4.13Å; F1448-M1650 HydrophobicContact CD2-SD 4.47Å; F1448-M1650 HydrophobicContact CE1-CE 4.15Å; F1448-M1650 HydrophobicContact CE1-SD 3.86Å; F1448-M1650 HydrophobicContact CE2-SD 4.21Å; F1448-M1650 HydrophobicContact CG-SD 4.42Å; F1448-M1650 HydrophobicContact CZ-CE 4.3Å; F1448-M1650 HydrophobicContact CZ-SD 3.91Å |
| 1449 | R | 76.8 | Confident | 74.4 | Confident | 157 Ų | 157 | 77.1 Ų | 77.1 | 59% | 0.592 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60.6 | -39.7 | 175.5 | -73.3 | 177.5 | -165.7 | 142.2 | 14.2 | 111.9 | E1445 R1446 H1447 S1453 | E1445-R1449 WeakPolarHBondContact O-CB 3.19Å; E1445-R1449 VanDerWaalsContact O-CG 3.28Å; E1445-R1449 WeakPolarHBondContact O-CG 3.44Å; E1445-R1449 PolarHBondContact O-N 2.96Å; E1445-R1449 IonicContact OE1-NH2 3.3Å; E1445-R1449 IonicContact OE2-CZ 2.65Å; E1445-R1449 IonicContact OE2-NH1 2.75Å; E1445-R1449 IonicContact OE2-NH2 3.21Å; E1445-R1449 PolarHBondContact OE2-NH2 3.13Å; R1446-R1449 PolarHBondContact O-N 3.13Å; H1447-R1449 PolarHBondContact O-N 3.24Å; R1449-S1453 VanDerWaalsContact O-CB 3.32Å; R1449-S1453 WeakPolarHBondContact O-CB 3.34Å; R1449-S1453 PolarHBondContact O-N 2.69Å; R1449-S1453 PolarHBondContact O-OG 3.13Å |
| 1450 | H | 80.2 | Confident | 76 | Confident | 89 Ų | 89 | 72.6 Ų | 72.6 | 41% | 0.412 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.1 | -49.4 | 177.8 | -178.2 | 59.7 | 0 | 0 | 0 | 111.7 | R1446 H1447 F1448 D1452 S1453 T1454 S1646 | R1446-H1450 WeakPolarHBondContact O-CB 3.42Å; R1446-H1450 PolarHBondContact O-N 3.42Å; H1447-H1450 WeakPolarHBondContact O-CB 3.47Å; H1447-H1450 PolarHBondContact O-N 2.92Å; H1447-H1450 VanDerWaalsContact O-N 3.14Å; F1448-H1450 VanDerWaalsContact C-N 3.29Å; F1448-H1450 PolarHBondContact O-N 3.09Å; H1450-D1452 VanDerWaalsContact C-N 3.33Å; H1450-D1452 PolarHBondContact O-N 2.91Å; H1450-S1453 WeakPolarHBondContact CA-OG 3.45Å; H1450-S1453 PolarHBondContact O-N 3.2Å; H1450-S1453 VanDerWaalsContact O-N 3.15Å; H1450-S1453 PolarHBondContact O-OG 3.38Å; H1450-T1454 PolarHBondContact O-N 2.92Å; H1450-T1454 PolarHBondContact O-OG1 3.18Å; H1450-S1646 PolarHBondContact CD2-OG 3.45Å; H1450-S1646 PolarHBondContact NE2-OG 3.49Å |
| 1451 | I | 73.6 | Confident | 77.5 | Confident | 9 Ų | 9 | 66.3 Ų | 66.3 | 5% | 0.046 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.9 | -44.4 | 175.9 | -68.8 | 163.7 | 0 | 0 | 0 | 110.4 | H1447 F1448 S1453 T1454 R1643 I1647 M1650 | H1447-I1451 WeakPolarHBondContact O-CB 3.33Å; H1447-I1451 VanDerWaalsContact O-CG1 3.28Å; H1447-I1451 WeakPolarHBondContact O-CG1 3.42Å; H1447-I1451 PolarHBondContact O-N 2.93Å; F1448-I1451 PolarHBondContact O-N 3.23Å; I1451-S1453 VanDerWaalsContact C-N 3.32Å; I1451-S1453 PolarHBondContact O-N 3.01Å; I1451-T1454 PolarHBondContact O-N 3.5Å; I1451-R1643 HydrophobicContact CG2-CG 4.48Å; I1451-R1643 VanDerWaalsContact O-CZ 3.26Å; I1451-R1643 PolarHBondContact O-NH1 2.7Å; I1451-R1643 PolarHBondContact O-NH2 2.96Å; I1451-I1647 HydrophobicContact CD1-CG1 3.96Å; I1451-I1647 HydrophobicContact CG1-CG1 4.27Å; I1451-I1647 HydrophobicContact CG2-CG1 4.15Å; I1451-M1650 HydrophobicContact CD1-CB 4.21Å; I1451-M1650 HydrophobicContact CD1-CE 4.06Å; I1451-M1650 HydrophobicContact CD1-SD 3.62Å |
| 1452 | D | 71.1 | Confident | 78.8 | Confident | 120 Ų | 120 | 63.3 Ų | 63.3 | 64% | 0.642 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -66.3 | -33 | 177.9 | -76.7 | -18 | 0 | 0 | 0 | 112.8 | F1448 H1450 | F1448-D1452 VanDerWaalsContact O-CB 3.31Å; F1448-D1452 WeakPolarHBondContact O-CB 3.31Å; F1448-D1452 PolarHBondContact O-N 3.49Å; H1450-D1452 VanDerWaalsContact C-N 3.33Å; H1450-D1452 PolarHBondContact O-N 2.91Å |
| 1453 | S | 75.1 | Confident | 79.9 | Confident | 91 Ų | 91 | 56.5 Ų | 56.5 | 64% | 0.636 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -76.2 | -21.6 | 174.4 | 73.5 | 0 | 0 | 0 | 0 | 113.8 | R1449 H1450 I1451 | R1449-S1453 VanDerWaalsContact O-CB 3.32Å; R1449-S1453 WeakPolarHBondContact O-CB 3.34Å; R1449-S1453 PolarHBondContact O-N 2.69Å; R1449-S1453 PolarHBondContact O-OG 3.13Å; H1450-S1453 WeakPolarHBondContact CA-OG 3.45Å; H1450-S1453 PolarHBondContact O-N 3.2Å; H1450-S1453 VanDerWaalsContact O-N 3.15Å; H1450-S1453 PolarHBondContact O-OG 3.38Å; I1451-S1453 VanDerWaalsContact C-N 3.32Å; I1451-S1453 PolarHBondContact O-N 3.01Å |
| 1454 | T | 75.7 | Confident | 81 | Confident | 22 Ų | 22 | 51.8 Ų | 51.8 | 14% | 0.135 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -76.8 | 127.3 | -178.6 | -59.3 | 0 | 0 | 0 | 0 | 110.1 | H1450 I1451 S1456 L1642 R1643 | H1450-T1454 PolarHBondContact O-N 2.92Å; H1450-T1454 PolarHBondContact O-OG1 3.18Å; I1451-T1454 PolarHBondContact O-N 3.5Å; T1454-S1456 PolarHBondContact O-N 3.29Å; T1454-L1642 HydrophobicContact CG2-CB 4.23Å; T1454-R1643 HydrophobicContact CG2-CB 3.97Å; T1454-R1643 PolarHBondContact O-NH1 3.28Å |
| 1455 | A | 75.5 | Confident | 82.2 | Confident | 33 Ų | 33 | 51 Ų | 51 | 27% | 0.273 | 25% | 0.247 | S | C | . | . | trans | -58.9 | 139.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1459 A1639 | A1455-L1459 HydrophobicContact CB-CD1 3.55Å; A1455-L1459 HydrophobicContact CB-CG 3.96Å; A1455-A1639 HydrophobicContact CB-CB 4.09Å; A1455-A1639 WeakPolarHBondContact O-CB 3.39Å | ||
| 1456 | S | 69.4 | Low | 83.4 | Confident | 24 Ų | 24 | 47 Ų | 47 | 17% | 0.168 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -94.5 | -11.2 | 174.5 | 53.8 | 0 | 0 | 0 | 0 | 113.4 | Q1286 T1454 | Q1286-S1456 PolarHBondContact OE1-OG 3.22Å; T1454-S1456 PolarHBondContact O-N 3.29Å |
| 1457 | R | 76.8 | Confident | 84.2 | Confident | 18 Ų | 18 | 39.2 Ų | 39.2 | 7% | 0.068 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -125.7 | 157.1 | -178.3 | -68 | -178.1 | -171.3 | 173.6 | 4.1 | 110.3 | L1459 T1521 P1522 L1523 E1525 A1639 | R1457-L1459 WeakPolarHBondContact O-CG 3.45Å; R1457-L1459 PolarHBondContact O-N 3Å; R1457-T1521 PolarHBondContact NH1-O 2.97Å; R1457-P1522 PolarHBondContact NE-O 3.25Å; R1457-L1523 WeakPolarHBondContact CA-O 3.47Å; R1457-L1523 WeakPolarHBondContact CB-O 3.46Å; R1457-E1525 HydrophobicContact CB-CG 4.17Å; R1457-E1525 WeakPolarHBondContact CD-OE1 3.42Å; R1457-E1525 IonicContact NE-OE1 3.82Å; R1457-E1525 IonicContact NH1-OE1 3.12Å; R1457-A1639 VanDerWaalsContact O-CB 3.3Å; R1457-A1639 WeakPolarHBondContact O-CB 3.49Å |
| 1458 | E | 82.2 | Confident | 84.9 | Confident | 32 Ų | 32 | 38.9 Ų | 38.9 | 15% | 0.15 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 127.7 | 168.8 | -166.4 | -177.4 | 177.5 | 0 | 0 | 109.3 | H1460 L1523 I1524 E1525 R1627 | E1458-H1460 WeakPolarHBondContact CG-NE2 3.32Å; E1458-H1460 IonicContact OE1-CE1 2.7Å; E1458-H1460 PolarHBondContact OE1-CE1 2.89Å; E1458-H1460 IonicContact OE1-NE2 2.85Å; E1458-H1460 PolarHBondContact OE1-NE2 3.23Å; E1458-H1460 IonicContact OE2-NE2 3.92Å; E1458-L1523 PolarHBondContact N-O 2.66Å; E1458-I1524 HydrophobicContact CB-CB 4.41Å; E1458-I1524 HydrophobicContact CB-CG2 4.02Å; E1458-I1524 CarbonylContact O-C 3.58Å; E1458-I1524 VanDerWaalsContact O-CA 3.3Å; E1458-I1524 WeakPolarHBondContact O-CA 3.49Å; E1458-E1525 PolarHBondContact O-N 3.49Å; E1458-R1627 WeakPolarHBondContact OE1-CB 3.47Å; E1458-R1627 VanDerWaalsContact OE1-CG 3.31Å; E1458-R1627 WeakPolarHBondContact OE1-CG 3.22Å; E1458-R1627 IonicContact OE1-CZ 3.34Å; E1458-R1627 IonicContact OE1-NE 2.99Å; E1458-R1627 PolarHBondContact OE1-NE 3.06Å; E1458-R1627 IonicContact OE1-NH2 2.71Å; E1458-R1627 IonicContact OE2-CZ 2.96Å; E1458-R1627 VanDerWaalsContact OE2-CZ 3.3Å; E1458-R1627 IonicContact OE2-NE 3.28Å; E1458-R1627 PolarHBondContact OE2-NE 3.12Å; E1458-R1627 IonicContact OE2-NH2 2.82Å; E1458-R1627 PolarHBondContact OE2-NH2 2.75Å |
| 1459 | L | 88.5 | Confident | 85.5 | Confident | 42 Ų | 42 | 38.2 Ų | 38.2 | 22% | 0.22 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 120.3 | -172.6 | -58.4 | -177.4 | 0 | 0 | 0 | 111.3 | A1455 R1457 Y1506 E1525 R1630 | A1455-L1459 HydrophobicContact CB-CD1 3.55Å; A1455-L1459 HydrophobicContact CB-CG 3.96Å; R1457-L1459 WeakPolarHBondContact O-CG 3.45Å; R1457-L1459 PolarHBondContact O-N 3Å; L1459-Y1506 HydrophobicContact CB-CD1 4.25Å; L1459-Y1506 HydrophobicContact CB-CE1 4.06Å; L1459-Y1506 HydrophobicContact CB-CE2 4.41Å; L1459-Y1506 HydrophobicContact CD1-CD2 3.73Å; L1459-Y1506 HydrophobicContact CD1-CE2 3.78Å; L1459-Y1506 HydrophobicContact CD1-CG 4.25Å; L1459-Y1506 HydrophobicContact CD2-CD1 4.25Å; L1459-Y1506 HydrophobicContact CD2-CD2 4.22Å; L1459-Y1506 HydrophobicContact CD2-CG 3.9Å; L1459-Y1506 HydrophobicContact CG-CD2 4.41Å; L1459-Y1506 HydrophobicContact CG-CG 4.45Å; L1459-E1525 CarbonylContact C-O 3.59Å; L1459-E1525 WeakPolarHBondContact CA-O 3.28Å; L1459-E1525 HydrophobicContact CD2-CB 3.9Å; L1459-E1525 HydrophobicContact CD2-CG 4.28Å; L1459-R1630 VanDerWaalsContact O-CZ 3.23Å; L1459-R1630 PolarHBondContact O-NH1 3.12Å; L1459-R1630 PolarHBondContact O-NH2 3.41Å |
| 1460 | H | 93.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 138.8 | 175.9 | -57.4 | -84.2 | 0 | 0 | 0 | 111.7 | E1458 E1525 V1526 V1527 S1626 | E1458-H1460 WeakPolarHBondContact CG-NE2 3.32Å; E1458-H1460 IonicContact OE1-CE1 2.7Å; E1458-H1460 PolarHBondContact OE1-CE1 2.89Å; E1458-H1460 IonicContact OE1-NE2 2.85Å; E1458-H1460 PolarHBondContact OE1-NE2 3.23Å; E1458-H1460 IonicContact OE2-NE2 3.92Å; H1460-E1525 PolarHBondContact N-O 3.25Å; H1460-V1526 HydrophobicContact CB-CB 4.46Å; H1460-V1526 HydrophobicContact CB-CG1 4.12Å; H1460-V1526 HydrophobicContact CB-CG2 4.16Å; H1460-V1526 WeakPolarHBondContact O-CA 3.23Å; H1460-V1527 PolarHBondContact O-N 3.44Å; H1460-S1626 WeakPolarHBondContact ND1-CB 3.48Å; H1460-S1626 PolarHBondContact ND1-OG 2.92Å |
| 1461 | K | 94.6 | Very high | 86.1 | Confident | 52 Ų | 52 | 30.2 Ų | 30.2 | 23% | 0.226 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 124.2 | 169.5 | 58.9 | -173.7 | -171 | 95.5 | 0 | 107.6 | V1527 N1548 D1549 | K1461-V1527 WeakPolarHBondContact CA-O 3.35Å; K1461-N1548 PolarHBondContact NZ-O 3.05Å; K1461-D1549 WeakPolarHBondContact CD-OD1 3.41Å; K1461-D1549 VanDerWaalsContact CG-OD1 3.27Å; K1461-D1549 WeakPolarHBondContact CG-OD1 3.49Å; K1461-D1549 IonicContact NZ-OD1 2.77Å; K1461-D1549 PolarHBondContact NZ-OD1 2.77Å |
| 1462 | I | 97.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 127 | -171.1 | -61.5 | 164.8 | 0 | 0 | 0 | 107.9 | V1526 V1527 F1528 H1529 V1551 I1553 A1622 | I1462-V1526 HydrophobicContact CD1-CG1 3.76Å; I1462-V1527 PolarHBondContact N-O 3.05Å; I1462-F1528 HydrophobicContact CB-CD1 3.97Å; I1462-F1528 HydrophobicContact CB-CE1 4.21Å; I1462-F1528 HydrophobicContact CD1-CD1 4.5Å; I1462-F1528 HydrophobicContact CD1-CE1 3.89Å; I1462-F1528 HydrophobicContact CD1-CZ 4.47Å; I1462-F1528 HydrophobicContact CG2-CD1 4.18Å; I1462-F1528 HydrophobicContact CG2-CE1 4.33Å; I1462-F1528 CarbonylContact O-C 3.59Å; I1462-F1528 VanDerWaalsContact O-CA 3.29Å; I1462-F1528 WeakPolarHBondContact O-CA 2.88Å; I1462-H1529 PolarHBondContact O-N 3.18Å; I1462-V1551 HydrophobicContact CG1-CB 4.43Å; I1462-V1551 HydrophobicContact CG2-CB 4.24Å; I1462-V1551 HydrophobicContact CG2-CG1 4.21Å; I1462-I1553 HydrophobicContact CG2-CD1 3.61Å; I1462-I1553 HydrophobicContact CG2-CG1 3.92Å; I1462-A1622 HydrophobicContact CD1-CB 3.74Å; I1462-A1622 HydrophobicContact CG2-CB 4.39Å |
| 1463 | A | 97 | Very high | 87.1 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 140.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | I1546 D1549 V1551 I1553 | A1463-I1546 HydrophobicContact CB-CB 4.35Å; A1463-I1546 HydrophobicContact CB-CG1 4.4Å; A1463-I1546 HydrophobicContact CB-CG2 3.86Å; A1463-D1549 HydrophobicContact CB-CB 4.05Å; A1463-D1549 PolarHBondContact N-OD2 2.63Å; A1463-V1551 PolarHBondContact N-O 2.78Å; A1463-I1553 PolarHBondContact O-N 2.93Å |
| 1464 | V | 97.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 115.7 | 172.9 | -174.1 | 0 | 0 | 0 | 0 | 108.9 | F1487 V1491 L1494 F1528 H1529 V1530 S1531 I1553 | V1464-F1487 HydrophobicContact CG1-CE2 3.84Å; V1464-F1487 HydrophobicContact CG1-CZ 4.01Å; V1464-V1491 HydrophobicContact CG1-CG2 4.31Å; V1464-L1494 HydrophobicContact CG2-CD1 4.01Å; V1464-F1528 HydrophobicContact CG2-CB 3.96Å; V1464-F1528 HydrophobicContact CG2-CD1 3.87Å; V1464-F1528 HydrophobicContact CG2-CG 4.35Å; V1464-H1529 PolarHBondContact N-O 3.29Å; V1464-V1530 HydrophobicContact CB-CG2 4.19Å; V1464-V1530 HydrophobicContact CG2-CG2 4.49Å; V1464-V1530 CarbonylContact O-C 3.49Å; V1464-V1530 WeakPolarHBondContact O-CA 3.05Å; V1464-S1531 PolarHBondContact O-N 3.45Å; V1464-I1553 CarbonylContact C-O 3.48Å; V1464-I1553 VanDerWaalsContact CA-O 3.27Å; V1464-I1553 WeakPolarHBondContact CA-O 3.11Å; V1464-I1553 HydrophobicContact CG2-CB 4.36Å; V1464-I1553 HydrophobicContact CG2-CD1 4.36Å |
| 1465 | I | 96.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 125.9 | -169.6 | -54.5 | 175.2 | 0 | 0 | 0 | 109.3 | V1467 I1477 I1546 I1553 V1554 W1555 I1567 | I1465-V1467 HydrophobicContact CG2-CG2 4.46Å; I1465-I1477 HydrophobicContact CG2-CG2 3.65Å; I1465-I1546 HydrophobicContact CD1-CG2 3.69Å; I1465-I1546 HydrophobicContact CG1-CG2 3.97Å; I1465-I1553 PolarHBondContact N-O 3.38Å; I1465-V1554 HydrophobicContact CB-CG2 4.21Å; I1465-V1554 HydrophobicContact CD1-CG2 4.33Å; I1465-V1554 CarbonylContact O-C 3.6Å; I1465-V1554 WeakPolarHBondContact O-CA 3.39Å; I1465-W1555 PolarHBondContact O-N 3.34Å; I1465-I1567 HydrophobicContact CD1-CD1 4.08Å; I1465-I1567 HydrophobicContact CG2-CD1 4.18Å |
| 1466 | Y | 97.3 | Very high | 89 | Confident | 17 Ų | 17 | 31.1 Ų | 31.1 | 7% | 0.067 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 127.3 | 172.8 | 175.9 | -110.3 | 0 | 0 | 0 | 111.8 | A1468 N1480 S1484 F1487 S1531 T1532 W1555 E1557 | Y1466-A1468 HydrophobicContact CE1-CB 3.74Å; Y1466-N1480 HydrophobicContact CD1-CB 4.21Å; Y1466-N1480 PolarHBondContact O-ND2 3.46Å; Y1466-S1484 PolarHBondContact OH-N 3.49Å; Y1466-F1487 HydrophobicContact CD2-CB 3.85Å; Y1466-F1487 HydrophobicContact CD2-CD1 4.12Å; Y1466-F1487 AromaticContact CD2-CD2 3.84Å; Y1466-F1487 HydrophobicContact CD2-CD2 3.84Å; Y1466-F1487 HydrophobicContact CD2-CE2 4.39Å; Y1466-F1487 AromaticContact CD2-CG 3.64Å; Y1466-F1487 HydrophobicContact CD2-CG 3.64Å; Y1466-F1487 HydrophobicContact CE2-CB 4.07Å; Y1466-F1487 HydrophobicContact CE2-CG 4.35Å; Y1466-F1487 HydrophobicContact CG-CD1 4.3Å; Y1466-F1487 HydrophobicContact CG-CD2 4.43Å; Y1466-F1487 HydrophobicContact CG-CE1 4.46Å; Y1466-F1487 HydrophobicContact CG-CG 4.24Å; Y1466-S1531 PolarHBondContact N-OG 3.48Å; Y1466-T1532 HydrophobicContact CD1-CG2 4.35Å; Y1466-T1532 HydrophobicContact CG-CG2 4.49Å; Y1466-W1555 AromaticContact CD2-CD1 3.66Å; Y1466-W1555 HydrophobicContact CD2-CG 4.38Å; Y1466-W1555 AromaticContact CE2-CD1 3.84Å; Y1466-E1557 PolarHBondContact OH-OE2 3.04Å |
| 1467 | V | 96.3 | Very high | 90.1 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.018 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 110.7 | 173.9 | -178.3 | 0 | 0 | 0 | 0 | 108.3 | I1465 Q1471 I1477 V1554 W1555 E1557 H1558 Y1562 | I1465-V1467 HydrophobicContact CG2-CG2 4.46Å; V1467-Q1471 HydrophobicContact CG1-CB 4.11Å; V1467-I1477 HydrophobicContact CG1-CD1 4.09Å; V1467-I1477 HydrophobicContact CG1-CG1 4.16Å; V1467-I1477 HydrophobicContact CG2-CD1 3.91Å; V1467-I1477 HydrophobicContact CG2-CG1 4.13Å; V1467-I1477 HydrophobicContact CG2-CG2 3.92Å; V1467-V1554 HydrophobicContact CG2-CG1 3.73Å; V1467-W1555 PolarHBondContact N-O 2.82Å; V1467-E1557 PolarHBondContact O-N 2.95Å; V1467-H1558 HydrophobicContact CG1-CB 4.09Å; V1467-Y1562 HydrophobicContact CG2-CD2 3.94Å; V1467-Y1562 HydrophobicContact CG2-CE2 3.94Å |
| 1468 | A | 92.9 | Very high | 90.8 | Very high | 19 Ų | 19 | 29.2 Ų | 29.2 | 16% | 0.157 | 17% | 0.17 | C | C | . | . | trans | -76.5 | 161.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y1466 G1470 Q1471 | Y1466-A1468 HydrophobicContact CE1-CB 3.74Å; A1468-G1470 PolarHBondContact O-N 3.4Å; A1468-Q1471 HydrophobicContact CB-CG 4.18Å; A1468-Q1471 WeakPolarHBondContact O-CB 3.5Å; A1468-Q1471 PolarHBondContact O-N 3.12Å; A1468-Q1471 VanDerWaalsContact O-N 3.17Å | ||
| 1469 | A | 87.1 | Confident | 91.2 | Very high | 74 Ų | 74 | 32.7 Ų | 32.7 | 61% | 0.612 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 128.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 1470 | G | 81.3 | Confident | 91.4 | Very high | 50 Ų | 50 | 31.8 Ų | 31.8 | 52% | 0.515 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | -2.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | A1468 H1558 | A1468-G1470 PolarHBondContact O-N 3.4Å; G1470-H1558 PolarHBondContact N-ND1 3.43Å |
| 1471 | Q | 88.1 | Confident | 91.2 | Very high | 29 Ų | 29 | 38 Ų | 38 | 14% | 0.136 | 21% | 0.205 | C | C | . | . | trans | -85.7 | 122.2 | 176.6 | -65.7 | -177.5 | -28.4 | 0 | 0 | 111.1 | V1467 A1468 S1476 I1477 N1480 | V1467-Q1471 HydrophobicContact CG1-CB 4.11Å; A1468-Q1471 HydrophobicContact CB-CG 4.18Å; A1468-Q1471 WeakPolarHBondContact O-CB 3.5Å; A1468-Q1471 PolarHBondContact O-N 3.12Å; A1468-Q1471 VanDerWaalsContact O-N 3.17Å; Q1471-S1476 PolarHBondContact NE2-O 3.31Å; Q1471-I1477 HydrophobicContact CB-CG1 3.86Å; Q1471-N1480 PolarHBondContact NE2-ND2 2.82Å; Q1471-N1480 PolarHBondContact NE2-OD1 2.59Å; Q1471-N1480 PolarHBondContact OE1-ND2 3.47Å | ||
| 1472 | E | 81.7 | Confident | 90.9 | Very high | 53 Ų | 53 | 41.8 Ų | 41.8 | 25% | 0.248 | 23% | 0.228 | C | C | . | . | trans | -128.6 | -3.2 | 179.9 | -64 | -164.7 | 163.7 | 0 | 0 | 113.6 | H1558 R1560 | E1472-H1558 VanDerWaalsContact CG-NE2 3.3Å; E1472-H1558 WeakPolarHBondContact CG-NE2 3.39Å; E1472-H1558 IonicContact OE1-CE1 3.55Å; E1472-H1558 IonicContact OE1-NE2 2.73Å; E1472-H1558 PolarHBondContact OE1-NE2 3.4Å; E1472-R1560 WeakPolarHBondContact OE1-CD 3.15Å; E1472-R1560 IonicContact OE1-CZ 2.86Å; E1472-R1560 IonicContact OE1-NE 3.69Å; E1472-R1560 IonicContact OE1-NH1 3.01Å; E1472-R1560 PolarHBondContact OE1-NH1 2.61Å; E1472-R1560 IonicContact OE2-NH1 3.76Å; E1472-R1560 PolarHBondContact OE2-NH1 3.24Å | ||
| 1473 | D | 84.5 | Confident | 90.6 | Very high | 69 Ų | 69 | 42.6 Ų | 42.6 | 37% | 0.369 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -118.3 | 146.8 | -175.7 | 70.6 | -77.3 | 0 | 0 | 0 | 111.6 | Q1475 S1476 I1477 | D1473-Q1475 PolarHBondContact O-N 3.21Å; D1473-Q1475 VanDerWaalsContact O-N 3.14Å; D1473-Q1475 WeakPolarHBondContact OD2-CB 2.88Å; D1473-Q1475 PolarHBondContact OD2-N 3.48Å; D1473-S1476 PolarHBondContact O-N 3.31Å; D1473-S1476 PolarHBondContact O-OG 3.33Å; D1473-S1476 VanDerWaalsContact O-OG 3.11Å; D1473-S1476 VanDerWaalsContact OD1-CB 3.28Å; D1473-S1476 WeakPolarHBondContact OD1-CB 3.3Å; D1473-S1476 PolarHBondContact OD1-OG 3.22Å; D1473-S1476 PolarHBondContact OD2-N 3.13Å; D1473-S1476 PolarHBondContact OD2-OG 2.77Å; D1473-I1477 WeakPolarHBondContact O-CG1 3.39Å; D1473-I1477 PolarHBondContact O-N 3.24Å |
| 1474 | K | 88.9 | Confident | 90.5 | Very high | 54 Ų | 54 | 43.2 Ų | 43.2 | 24% | 0.235 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -49.5 | -40.6 | 179.2 | -178.1 | 172.7 | 174.6 | 175.2 | 0 | 113.4 | L1478 I1566 I1567 | K1474-L1478 HydrophobicContact CG-CD1 3.76Å; K1474-L1478 WeakPolarHBondContact O-CB 3.05Å; K1474-L1478 VanDerWaalsContact O-CG 3.26Å; K1474-L1478 WeakPolarHBondContact O-CG 3.27Å; K1474-L1478 PolarHBondContact O-N 3.21Å; K1474-L1478 VanDerWaalsContact O-N 3.17Å; K1474-I1566 WeakPolarHBondContact CB-O 2.77Å; K1474-I1567 HydrophobicContact CG-CG1 4.34Å |
| 1475 | Q | 87.9 | Confident | 90.3 | Very high | 93 Ų | 93 | 48.6 Ų | 48.6 | 44% | 0.435 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -70.1 | -52.7 | -171.7 | -176 | 74.6 | 6.6 | 0 | 0 | 110 | D1473 I1477 L1478 E1479 I1539 | D1473-Q1475 PolarHBondContact O-N 3.21Å; D1473-Q1475 VanDerWaalsContact O-N 3.14Å; D1473-Q1475 WeakPolarHBondContact OD2-CB 2.88Å; D1473-Q1475 PolarHBondContact OD2-N 3.48Å; Q1475-I1477 VanDerWaalsContact C-N 3.3Å; Q1475-I1477 PolarHBondContact O-N 3.27Å; Q1475-L1478 PolarHBondContact O-N 3.19Å; Q1475-E1479 WeakPolarHBondContact CG-OE1 3.49Å; Q1475-E1479 PolarHBondContact NE2-OE1 3.23Å; Q1475-E1479 WeakPolarHBondContact O-CB 3.4Å; Q1475-E1479 VanDerWaalsContact O-CG 3.31Å; Q1475-E1479 WeakPolarHBondContact O-CG 3.4Å; Q1475-E1479 PolarHBondContact O-N 2.88Å; Q1475-I1539 HydrophobicContact CG-CD1 4.38Å; Q1475-I1539 VanDerWaalsContact OE1-CD1 3.25Å |
| 1476 | S | 90.2 | Very high | 90.1 | Very high | 24 Ų | 24 | 53.3 Ų | 53.3 | 17% | 0.168 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.9 | -39.3 | -179.5 | 63.8 | 0 | 0 | 0 | 0 | 112.8 | Q1471 D1473 E1479 | Q1471-S1476 PolarHBondContact NE2-O 3.31Å; D1473-S1476 PolarHBondContact O-N 3.31Å; D1473-S1476 PolarHBondContact O-OG 3.33Å; D1473-S1476 VanDerWaalsContact O-OG 3.11Å; D1473-S1476 VanDerWaalsContact OD1-CB 3.28Å; D1473-S1476 WeakPolarHBondContact OD1-CB 3.3Å; D1473-S1476 PolarHBondContact OD1-OG 3.22Å; D1473-S1476 PolarHBondContact OD2-N 3.13Å; D1473-S1476 PolarHBondContact OD2-OG 2.77Å; S1476-E1479 PolarHBondContact O-N 3.41Å |
| 1477 | I | 92.3 | Very high | 90 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.1 | -43.4 | 177.8 | -65.9 | 168.4 | 0 | 0 | 0 | 111.5 | I1465 V1467 Q1471 D1473 Q1475 E1479 N1480 Y1562 I1566 I1567 | I1465-I1477 HydrophobicContact CG2-CG2 3.65Å; V1467-I1477 HydrophobicContact CG1-CD1 4.09Å; V1467-I1477 HydrophobicContact CG1-CG1 4.16Å; V1467-I1477 HydrophobicContact CG2-CD1 3.91Å; V1467-I1477 HydrophobicContact CG2-CG1 4.13Å; V1467-I1477 HydrophobicContact CG2-CG2 3.92Å; Q1471-I1477 HydrophobicContact CB-CG1 3.86Å; D1473-I1477 WeakPolarHBondContact O-CG1 3.39Å; D1473-I1477 PolarHBondContact O-N 3.24Å; Q1475-I1477 VanDerWaalsContact C-N 3.3Å; Q1475-I1477 PolarHBondContact O-N 3.27Å; I1477-E1479 VanDerWaalsContact C-N 3.31Å; I1477-E1479 PolarHBondContact O-N 3.41Å; I1477-N1480 WeakPolarHBondContact O-CB 3.39Å; I1477-N1480 PolarHBondContact O-N 2.96Å; I1477-N1480 PolarHBondContact O-ND2 3.27Å; I1477-Y1562 HydrophobicContact CD1-CE2 4.26Å; I1477-I1566 HydrophobicContact CD1-CG2 3.51Å; I1477-I1567 HydrophobicContact CG2-CD1 4.03Å |
| 1478 | L | 91.7 | Very high | 90 | Very high | 3 Ų | 3 | 54.6 Ų | 54.6 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -78.2 | -16 | -178.7 | -66.5 | 175.9 | 0 | 0 | 0 | 113.1 | K1474 Q1475 N1480 I1539 K1542 L1543 I1567 | K1474-L1478 HydrophobicContact CG-CD1 3.76Å; K1474-L1478 WeakPolarHBondContact O-CB 3.05Å; K1474-L1478 VanDerWaalsContact O-CG 3.26Å; K1474-L1478 WeakPolarHBondContact O-CG 3.27Å; K1474-L1478 PolarHBondContact O-N 3.21Å; K1474-L1478 VanDerWaalsContact O-N 3.17Å; Q1475-L1478 PolarHBondContact O-N 3.19Å; L1478-N1480 VanDerWaalsContact C-N 3.33Å; L1478-I1539 HydrophobicContact CB-CG2 3.93Å; L1478-I1539 HydrophobicContact CD1-CG2 3.6Å; L1478-I1539 HydrophobicContact CG-CG2 4.42Å; L1478-K1542 WeakPolarHBondContact O-CD 3.47Å; L1478-K1542 WeakPolarHBondContact O-CE 3.47Å; L1478-K1542 PolarHBondContact O-NZ 3.14Å; L1478-L1543 HydrophobicContact CD1-CD1 4.08Å; L1478-I1567 HydrophobicContact CD2-CD1 4.21Å; L1478-I1567 HydrophobicContact CG-CD1 4.43Å |
| 1479 | E | 91 | Very high | 90 | Very high | 105 Ų | 105 | 58.2 Ų | 58.2 | 49% | 0.491 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -79.5 | -13.2 | 173.8 | -76.4 | 176.1 | 176.4 | 0 | 0 | 113.6 | Q1475 S1476 I1477 R1481 I1539 | Q1475-E1479 WeakPolarHBondContact CG-OE1 3.49Å; Q1475-E1479 PolarHBondContact NE2-OE1 3.23Å; Q1475-E1479 WeakPolarHBondContact O-CB 3.4Å; Q1475-E1479 VanDerWaalsContact O-CG 3.31Å; Q1475-E1479 WeakPolarHBondContact O-CG 3.4Å; Q1475-E1479 PolarHBondContact O-N 2.88Å; S1476-E1479 PolarHBondContact O-N 3.41Å; I1477-E1479 VanDerWaalsContact C-N 3.31Å; I1477-E1479 PolarHBondContact O-N 3.41Å; E1479-R1481 PolarHBondContact O-N 2.6Å; E1479-I1539 HydrophobicContact CG-CD1 3.76Å |
| 1480 | N | 91.9 | Very high | 90.5 | Very high | 23 Ų | 23 | 54.8 Ų | 54.8 | 12% | 0.123 | 29% | 0.285 | C | S | . | . | trans | -55.1 | 122.4 | 175.6 | -71.5 | -29.5 | 0 | 0 | 0 | 111.4 | Y1466 Q1471 I1477 L1478 T1532 K1542 | Y1466-N1480 HydrophobicContact CD1-CB 4.21Å; Y1466-N1480 PolarHBondContact O-ND2 3.46Å; Q1471-N1480 PolarHBondContact NE2-ND2 2.82Å; Q1471-N1480 PolarHBondContact NE2-OD1 2.59Å; Q1471-N1480 PolarHBondContact OE1-ND2 3.47Å; I1477-N1480 WeakPolarHBondContact O-CB 3.39Å; I1477-N1480 PolarHBondContact O-N 2.96Å; I1477-N1480 PolarHBondContact O-ND2 3.27Å; L1478-N1480 VanDerWaalsContact C-N 3.33Å; N1480-T1532 HydrophobicContact CB-CG2 4.39Å; N1480-K1542 PolarHBondContact O-NZ 3.06Å; N1480-K1542 VanDerWaalsContact O-NZ 3.14Å | ||
| 1481 | R | 89 | Confident | 91.2 | Very high | 130 Ų | 130 | 52.4 Ų | 52.4 | 49% | 0.491 | 26% | 0.26 | S | S | . | . | trans | -96.9 | -30.1 | 175.9 | -64.3 | -65.6 | -178.9 | -165.8 | -6.3 | 112.7 | E1479 C1536 | E1479-R1481 PolarHBondContact O-N 2.6Å; R1481-C1536 PolarHBondContact NH1-O 2.76Å | ||
| 1482 | D | 89.2 | Confident | 91.4 | Very high | 131 Ų | 131 | 54.4 Ų | 54.4 | 70% | 0.701 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -132.6 | 149.1 | 179.2 | -58.7 | -70.6 | 0 | 0 | 0 | 108.7 | ||
| 1483 | G | 91.2 | Very high | 92 | Very high | 17 Ų | 17 | 53.5 Ų | 53.5 | 18% | 0.175 | 28% | 0.282 | C | S | . | . | trans | -97.5 | 178.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E1488 | G1483-E1488 PolarHBondContact N-OE1 2.77Š| ||
| 1484 | S | 94.5 | Very high | 92.5 | Very high | 14 Ų | 14 | 50.2 Ų | 50.2 | 10% | 0.098 | 27% | 0.265 | C | S | . | . | trans | -66.3 | 160.2 | 170.6 | 78.6 | 0 | 0 | 0 | 0 | 111.3 | Y1466 R1486 F1487 E1488 E1557 | Y1466-S1484 PolarHBondContact OH-N 3.49Å; S1484-R1486 PolarHBondContact O-N 3.15Å; S1484-F1487 WeakPolarHBondContact O-CB 3.45Å; S1484-F1487 PolarHBondContact O-N 3.18Å; S1484-F1487 VanDerWaalsContact O-N 3.13Å; S1484-F1487 WeakPolarHBondContact OG-CB 3.4Å; S1484-F1487 PolarHBondContact OG-N 2.75Å; S1484-E1488 PolarHBondContact O-N 2.91Å; S1484-E1557 WeakPolarHBondContact CB-OE1 3.29Å; S1484-E1557 PolarHBondContact OG-OE1 3.45Å | ||
| 1485 | P | 93.2 | Very high | 92.6 | Very high | 113 Ų | 113 | 48.2 Ų | 48.2 | 73% | 0.734 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -55.5 | -38.3 | 175.4 | -26.1 | 34.8 | 0 | 0 | 0 | 113 | E1488 E1489 | P1485-E1488 PolarHBondContact O-N 2.93Å; P1485-E1489 WeakPolarHBondContact O-CB 3.27Å; P1485-E1489 PolarHBondContact O-N 3.19Å |
| 1486 | R | 92.1 | Very high | 92.7 | Very high | 98 Ų | 98 | 51 Ų | 51 | 37% | 0.37 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -70.2 | -40 | 177.9 | -71.1 | -63.1 | -168.8 | 129.3 | 6.9 | 111.8 | S1484 E1489 F1490 W1555 D1584 W1611 | S1484-R1486 PolarHBondContact O-N 3.15Å; R1486-E1489 PolarHBondContact O-N 3.28Å; R1486-F1490 WeakPolarHBondContact O-CB 3.45Å; R1486-F1490 PolarHBondContact O-N 2.71Å; R1486-W1555 HydrophobicContact CB-CH2 4.15Å; R1486-W1555 HydrophobicContact CB-CZ2 3.78Å; R1486-D1584 IonicContact CZ-OD1 3.01Å; R1486-D1584 IonicContact NH1-OD1 3.71Å; R1486-D1584 PolarHBondContact NH1-OD1 3.46Å; R1486-D1584 IonicContact NH2-OD1 3.85Å; R1486-D1584 PolarHBondContact NH2-OD1 3.17Å; R1486-W1611 WeakPolarHBondContact O-CH2 3.38Å |
| 1487 | F | 96.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.8 | -47.5 | 173.2 | 171.6 | -99.1 | 0 | 0 | 0 | 111.8 | V1464 Y1466 S1484 E1489 F1490 V1491 V1530 T1532 W1555 | V1464-F1487 HydrophobicContact CG1-CE2 3.84Å; V1464-F1487 HydrophobicContact CG1-CZ 4.01Å; Y1466-F1487 HydrophobicContact CD2-CB 3.85Å; Y1466-F1487 HydrophobicContact CD2-CD1 4.12Å; Y1466-F1487 AromaticContact CD2-CD2 3.84Å; Y1466-F1487 HydrophobicContact CD2-CD2 3.84Å; Y1466-F1487 HydrophobicContact CD2-CE2 4.39Å; Y1466-F1487 AromaticContact CD2-CG 3.64Å; Y1466-F1487 HydrophobicContact CD2-CG 3.64Å; Y1466-F1487 HydrophobicContact CE2-CB 4.07Å; Y1466-F1487 HydrophobicContact CE2-CG 4.35Å; Y1466-F1487 HydrophobicContact CG-CD1 4.3Å; Y1466-F1487 HydrophobicContact CG-CD2 4.43Å; Y1466-F1487 HydrophobicContact CG-CE1 4.46Å; Y1466-F1487 HydrophobicContact CG-CG 4.24Å; S1484-F1487 WeakPolarHBondContact O-CB 3.45Å; S1484-F1487 PolarHBondContact O-N 3.18Å; S1484-F1487 VanDerWaalsContact O-N 3.13Å; S1484-F1487 WeakPolarHBondContact OG-CB 3.4Å; S1484-F1487 PolarHBondContact OG-N 2.75Å; F1487-E1489 VanDerWaalsContact C-N 3.34Å; F1487-E1489 PolarHBondContact O-N 3.13Å; F1487-F1490 WeakPolarHBondContact O-CB 3.07Å; F1487-F1490 PolarHBondContact O-N 3.21Å; F1487-V1491 HydrophobicContact CD1-CG2 4.19Å; F1487-V1491 HydrophobicContact CD2-CG2 4.35Å; F1487-V1491 HydrophobicContact CE1-CG2 3.76Å; F1487-V1491 HydrophobicContact CE2-CG2 3.93Å; F1487-V1491 HydrophobicContact CZ-CG2 3.63Å; F1487-V1491 WeakPolarHBondContact O-CG2 3.35Å; F1487-V1491 PolarHBondContact O-N 3.16Å; F1487-V1530 HydrophobicContact CE1-CG1 4Å; F1487-V1530 HydrophobicContact CZ-CG1 3.81Å; F1487-T1532 HydrophobicContact CE1-CG2 4.06Å; F1487-W1555 HydrophobicContact CB-CD2 4.23Å; F1487-W1555 HydrophobicContact CB-CG 4.25Å; F1487-W1555 HydrophobicContact CD2-CB 3.45Å; F1487-W1555 VanDerWaalsContact CD2-CB 3.45Å; F1487-W1555 AromaticContact CD2-CD1 3.98Å; F1487-W1555 AromaticContact CD2-CD2 3.93Å; F1487-W1555 HydrophobicContact CD2-CD2 3.93Å; F1487-W1555 HydrophobicContact CD2-CE3 4.41Å; F1487-W1555 AromaticContact CD2-CG 3.51Å; F1487-W1555 HydrophobicContact CD2-CG 3.51Å; F1487-W1555 HydrophobicContact CE2-CB 3.78Å; F1487-W1555 HydrophobicContact CE2-CG 4.33Å; F1487-W1555 HydrophobicContact CG-CG 4.33Å |
| 1488 | E | 94.7 | Very high | 92.6 | Very high | 48 Ų | 48 | 56.8 Ų | 56.8 | 22% | 0.224 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.9 | -35.5 | -179.4 | -68.8 | -62.2 | 153.1 | 0 | 0 | 112.3 | G1483 S1484 P1485 V1491 S1492 T1532 R1533 | G1483-E1488 PolarHBondContact N-OE1 2.77Å; S1484-E1488 PolarHBondContact O-N 2.91Å; P1485-E1488 PolarHBondContact O-N 2.93Å; E1488-V1491 PolarHBondContact O-N 3.29Å; E1488-S1492 PolarHBondContact O-N 3.34Å; E1488-T1532 PolarHBondContact OE1-OG1 3.46Å; E1488-T1532 VanDerWaalsContact OE1-OG1 3.12Å; E1488-R1533 IonicContact OE2-CZ 2.66Å; E1488-R1533 IonicContact OE2-NE 2.76Å; E1488-R1533 PolarHBondContact OE2-NE 3.41Å; E1488-R1533 IonicContact OE2-NH2 3.64Å; E1488-R1533 PolarHBondContact OE2-NH2 2.72Å |
| 1489 | E | 94.1 | Very high | 92.4 | Very high | 95 Ų | 95 | 61.3 Ų | 61.3 | 44% | 0.444 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 172.3 | -158.5 | -169.9 | 155.6 | 0 | 0 | 111 | P1485 R1486 F1487 S1492 G1493 W1611 | P1485-E1489 WeakPolarHBondContact O-CB 3.27Å; P1485-E1489 PolarHBondContact O-N 3.19Å; R1486-E1489 PolarHBondContact O-N 3.28Å; F1487-E1489 VanDerWaalsContact C-N 3.34Å; F1487-E1489 PolarHBondContact O-N 3.13Å; E1489-S1492 WeakPolarHBondContact O-CB 3.44Å; E1489-S1492 PolarHBondContact O-N 2.83Å; E1489-S1492 PolarHBondContact O-OG 3.31Å; E1489-G1493 PolarHBondContact O-N 2.88Å; E1489-W1611 HydrophobicContact CB-CH2 3.94Å; E1489-W1611 HydrophobicContact CB-CZ2 3.71Å; E1489-W1611 HydrophobicContact CG-CH2 4.3Å; E1489-W1611 HydrophobicContact CG-CZ2 3.56Å; E1489-W1611 WeakPolarHBondContact OE1-CZ2 3.26Å; E1489-W1611 PolarHBondContact OE1-NE1 3.38Å |
| 1490 | F | 96.5 | Very high | 92.2 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.009 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.3 | -46.8 | 174.9 | 163.5 | -102.6 | 0 | 0 | 0 | 111.5 | R1486 F1487 S1492 G1493 L1494 I1553 W1555 I1578 W1611 L1614 A1615 V1618 | R1486-F1490 WeakPolarHBondContact O-CB 3.45Å; R1486-F1490 PolarHBondContact O-N 2.71Å; F1487-F1490 WeakPolarHBondContact O-CB 3.07Å; F1487-F1490 PolarHBondContact O-N 3.21Å; F1490-S1492 PolarHBondContact O-N 2.9Å; F1490-G1493 WeakPolarHBondContact O-CA 3.4Å; F1490-G1493 PolarHBondContact O-N 3.21Å; F1490-L1494 HydrophobicContact CD1-CD1 4.43Å; F1490-L1494 HydrophobicContact CE1-CD1 3.77Å; F1490-L1494 HydrophobicContact CE1-CD2 4.4Å; F1490-L1494 HydrophobicContact CE1-CG 4.19Å; F1490-L1494 HydrophobicContact CE2-CD2 4.06Å; F1490-L1494 HydrophobicContact CE2-CG 4.4Å; F1490-L1494 HydrophobicContact CZ-CD1 3.98Å; F1490-L1494 HydrophobicContact CZ-CD2 3.76Å; F1490-L1494 HydrophobicContact CZ-CG 4.02Å; F1490-L1494 PolarHBondContact O-N 2.91Å; F1490-I1553 HydrophobicContact CE1-CG2 4.28Å; F1490-I1553 HydrophobicContact CZ-CG2 4.23Å; F1490-W1555 HydrophobicContact CB-CE3 4.18Å; F1490-W1555 HydrophobicContact CB-CH2 4.21Å; F1490-W1555 HydrophobicContact CB-CZ3 3.6Å; F1490-W1555 AromaticContact CD1-CE3 3.83Å; F1490-W1555 HydrophobicContact CD1-CE3 3.83Å; F1490-W1555 HydrophobicContact CD1-CZ3 4.06Å; F1490-W1555 HydrophobicContact CD2-CZ3 4.16Å; F1490-W1555 HydrophobicContact CE1-CE3 4.39Å; F1490-W1555 AromaticContact CG-CE3 3.95Å; F1490-W1555 HydrophobicContact CG-CE3 3.95Å; F1490-W1555 AromaticContact CG-CZ3 3.67Å; F1490-W1555 HydrophobicContact CG-CZ3 3.67Å; F1490-I1578 HydrophobicContact CE1-CD1 3.9Å; F1490-I1578 HydrophobicContact CE2-CD1 3.8Å; F1490-I1578 HydrophobicContact CZ-CD1 3.38Å; F1490-W1611 HydrophobicContact CB-CH2 3.79Å; F1490-W1611 HydrophobicContact CB-CZ3 4.04Å; F1490-L1614 HydrophobicContact CD2-CD2 3.77Å; F1490-L1614 HydrophobicContact CD2-CG 3.92Å; F1490-L1614 HydrophobicContact CE2-CD2 4.2Å; F1490-L1614 HydrophobicContact CE2-CG 3.93Å; F1490-A1615 HydrophobicContact CD2-CB 4.14Å; F1490-A1615 HydrophobicContact CE2-CB 4.23Å; F1490-V1618 HydrophobicContact CE2-CB 4.32Å; F1490-V1618 HydrophobicContact CE2-CG1 4.49Å; F1490-V1618 HydrophobicContact CE2-CG2 4.28Å; F1490-V1618 HydrophobicContact CZ-CB 4.35Å; F1490-V1618 HydrophobicContact CZ-CG1 4.03Å; F1490-V1618 HydrophobicContact CZ-CG2 4.49Å |
| 1491 | V | 95.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.5 | -38.5 | 175.8 | 169.7 | 0 | 0 | 0 | 0 | 111 | V1464 F1487 E1488 G1493 L1494 P1517 V1530 | V1464-V1491 HydrophobicContact CG1-CG2 4.31Å; F1487-V1491 HydrophobicContact CD1-CG2 4.19Å; F1487-V1491 HydrophobicContact CD2-CG2 4.35Å; F1487-V1491 HydrophobicContact CE1-CG2 3.76Å; F1487-V1491 HydrophobicContact CE2-CG2 3.93Å; F1487-V1491 HydrophobicContact CZ-CG2 3.63Å; F1487-V1491 WeakPolarHBondContact O-CG2 3.35Å; F1487-V1491 PolarHBondContact O-N 3.16Å; E1488-V1491 PolarHBondContact O-N 3.29Å; V1491-G1493 VanDerWaalsContact C-N 3.25Å; V1491-G1493 PolarHBondContact O-N 3.15Å; V1491-L1494 PolarHBondContact O-N 3.35Å; V1491-P1517 HydrophobicContact CG1-CG 3.5Å; V1491-P1517 VanDerWaalsContact CG1-CG 3.5Å; V1491-V1530 HydrophobicContact CG1-CG1 4.39Å; V1491-V1530 HydrophobicContact CG1-CG2 3.87Å; V1491-V1530 HydrophobicContact CG2-CG1 4.12Å |
| 1492 | S | 93.2 | Very high | 91.7 | Very high | 71 Ų | 71 | 64 Ų | 64 | 50% | 0.497 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.9 | -24.4 | 175.4 | 83.3 | 0 | 0 | 0 | 0 | 113.7 | E1488 E1489 F1490 | E1488-S1492 PolarHBondContact O-N 3.34Å; E1489-S1492 WeakPolarHBondContact O-CB 3.44Å; E1489-S1492 PolarHBondContact O-N 2.83Å; E1489-S1492 PolarHBondContact O-OG 3.31Å; F1490-S1492 PolarHBondContact O-N 2.9Å |
| 1493 | G | 93.5 | Very high | 91.5 | Very high | 34 Ų | 34 | 59.9 Ų | 59.9 | 35% | 0.351 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -80.4 | -22.2 | 175 | 0 | 0 | 0 | 0 | 0 | 114.2 | E1489 F1490 V1491 R1619 | E1489-G1493 PolarHBondContact O-N 2.88Å; F1490-G1493 WeakPolarHBondContact O-CA 3.4Å; F1490-G1493 PolarHBondContact O-N 3.21Å; V1491-G1493 VanDerWaalsContact C-N 3.25Å; V1491-G1493 PolarHBondContact O-N 3.15Å; G1493-R1619 PolarHBondContact O-NH1 3.09Å; G1493-R1619 VanDerWaalsContact O-NH1 3.13Å |
| 1494 | L | 95.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -69.4 | -30.1 | -179.3 | -70.7 | 176.9 | 0 | 0 | 0 | 112.9 | V1464 F1490 V1491 F1528 A1615 V1618 R1619 | V1464-L1494 HydrophobicContact CG2-CD1 4.01Å; F1490-L1494 HydrophobicContact CD1-CD1 4.43Å; F1490-L1494 HydrophobicContact CE1-CD1 3.77Å; F1490-L1494 HydrophobicContact CE1-CD2 4.4Å; F1490-L1494 HydrophobicContact CE1-CG 4.19Å; F1490-L1494 HydrophobicContact CE2-CD2 4.06Å; F1490-L1494 HydrophobicContact CE2-CG 4.4Å; F1490-L1494 HydrophobicContact CZ-CD1 3.98Å; F1490-L1494 HydrophobicContact CZ-CD2 3.76Å; F1490-L1494 HydrophobicContact CZ-CG 4.02Å; F1490-L1494 PolarHBondContact O-N 2.91Å; V1491-L1494 PolarHBondContact O-N 3.35Å; L1494-F1528 HydrophobicContact CB-CD2 4.23Å; L1494-F1528 HydrophobicContact CB-CE1 4.37Å; L1494-F1528 HydrophobicContact CB-CE2 4Å; L1494-F1528 HydrophobicContact CB-CG 4.5Å; L1494-F1528 HydrophobicContact CB-CZ 4.07Å; L1494-F1528 HydrophobicContact CD1-CD1 4Å; L1494-F1528 HydrophobicContact CD1-CE1 4.2Å; L1494-F1528 HydrophobicContact CD1-CG 4.35Å; L1494-F1528 HydrophobicContact CD2-CE1 4.31Å; L1494-F1528 HydrophobicContact CD2-CZ 4.44Å; L1494-A1615 HydrophobicContact CD2-CB 4.49Å; L1494-V1618 HydrophobicContact CD2-CG1 4.45Å; L1494-R1619 VanDerWaalsContact C-NH1 3.32Å; L1494-R1619 HydrophobicContact CD2-CB 4.35Å; L1494-R1619 VanDerWaalsContact O-CD 3.29Å; L1494-R1619 WeakPolarHBondContact O-CD 3.48Å; L1494-R1619 PolarHBondContact O-NH1 3.46Å |
| 1495 | G | 91.2 | Very high | 90.3 | Very high | 11 Ų | 11 | 64.7 Ų | 64.7 | 11% | 0.113 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -175.9 | 175.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y1518 | G1495-Y1518 CarbonylContact C-O 3.59Å; G1495-Y1518 WeakPolarHBondContact CA-O 3.24Å |
| 1496 | W | 90.4 | Very high | 89.9 | Confident | 151 Ų | 151 | 61.9 Ų | 61.9 | 57% | 0.572 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 134.4 | 174.1 | -53.6 | -68 | 0 | 0 | 0 | 110.1 | V1498 Y1518 Y1519 | W1496-V1498 PolarHBondContact O-N 2.89Å; W1496-Y1518 HydrophobicContact CE3-CD1 4.32Å; W1496-Y1518 PolarHBondContact N-O 3.13Å; W1496-Y1518 PolarHBondContact O-N 3.49Å; W1496-Y1519 HydrophobicContact CH2-CD2 4.49Å; W1496-Y1519 HydrophobicContact CZ3-CD2 4.49Å |
| 1497 | Q | 90.3 | Very high | 89.7 | Confident | 119 Ų | 119 | 59 Ų | 59 | 56% | 0.556 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72 | 121.4 | 172.3 | -171.6 | 165.9 | 5.8 | 0 | 0 | 109.8 | T1515 I1516 | Q1497-T1515 PolarHBondContact NE2-OG1 2.82Å; Q1497-I1516 WeakPolarHBondContact CA-O 3.07Å |
| 1498 | V | 89.1 | Confident | 89.3 | Confident | 28 Ų | 28 | 59.1 Ų | 59.1 | 17% | 0.17 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 146.2 | 179.6 | -59.8 | 0 | 0 | 0 | 0 | 110.8 | W1496 H1503 T1515 I1516 Y1518 | W1496-V1498 PolarHBondContact O-N 2.89Å; V1498-H1503 HydrophobicContact CB-CB 4.47Å; V1498-H1503 HydrophobicContact CG2-CB 4.4Å; V1498-T1515 CarbonylContact O-C 3.36Å; V1498-T1515 WeakPolarHBondContact O-CA 3.28Å; V1498-I1516 HydrophobicContact CG2-CD1 4.2Å; V1498-I1516 HydrophobicContact CG2-CG1 3.69Å; V1498-I1516 PolarHBondContact N-O 3.2Å; V1498-I1516 PolarHBondContact O-N 2.81Å; V1498-Y1518 HydrophobicContact CG1-CD1 4.4Å; V1498-Y1518 HydrophobicContact CG2-CG 4.26Å |
| 1499 | E | 88.8 | Confident | 89 | Confident | 98 Ų | 98 | 59.9 Ų | 59.9 | 46% | 0.458 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 122.5 | 174.5 | -176.9 | -175.2 | -163.8 | 0 | 0 | 109.9 | R1501 T1502 H1503 | E1499-R1501 HydrophobicContact CG-CB 4.31Å; E1499-R1501 PolarHBondContact O-N 3.33Å; E1499-R1501 VanDerWaalsContact O-N 3.12Å; E1499-T1502 PolarHBondContact O-N 3.45Å; E1499-T1502 PolarHBondContact O-OG1 3.26Å; E1499-T1502 PolarHBondContact OE2-OG1 3.17Å; E1499-H1503 VanDerWaalsContact O-CB 3.23Å; E1499-H1503 WeakPolarHBondContact O-CB 3.21Å; E1499-H1503 PolarHBondContact O-N 2.83Å |
| 1500 | L | 86.6 | Confident | 88.7 | Confident | 13 Ų | 13 | 56.2 Ų | 56.2 | 7% | 0.068 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -27.7 | -173.8 | -78.9 | 165.4 | 0 | 0 | 0 | 113.6 | A1507 L1510 P1511 E1513 G1514 I1516 | L1500-A1507 HydrophobicContact CD2-CB 4.01Å; L1500-L1510 HydrophobicContact CD1-CB 3.95Å; L1500-L1510 HydrophobicContact CD1-CD1 4.2Å; L1500-L1510 HydrophobicContact CD2-CB 4.43Å; L1500-P1511 WeakPolarHBondContact CD1-O 3.44Å; L1500-E1513 WeakPolarHBondContact CD1-O 3.34Å; L1500-G1514 PolarHBondContact N-O 3.23Å; L1500-I1516 HydrophobicContact CD1-CG2 3.81Å; L1500-I1516 HydrophobicContact CD2-CD1 3.55Å; L1500-I1516 HydrophobicContact CD2-CG1 3.88Å; L1500-I1516 HydrophobicContact CG-CD1 4.24Å; L1500-I1516 HydrophobicContact CG-CG1 4Å; L1500-I1516 HydrophobicContact CG-CG2 4.22Å |
| 1501 | R | 86.2 | Confident | 87.9 | Confident | 197 Ų | 197 | 59.3 Ų | 59.3 | 74% | 0.743 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -29.3 | -177.5 | -153.3 | 176.1 | -176.8 | -144.8 | 1.8 | 113.5 | E1499 T1512 | E1499-R1501 HydrophobicContact CG-CB 4.31Å; E1499-R1501 PolarHBondContact O-N 3.33Å; E1499-R1501 VanDerWaalsContact O-N 3.12Å; R1501-T1512 WeakPolarHBondContact CB-O 3.26Å |
| 1502 | T | 84.5 | Confident | 87 | Confident | 105 Ų | 105 | 64 Ų | 64 | 64% | 0.644 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | -12.5 | -177.4 | 58.1 | 0 | 0 | 0 | 0 | 112.5 | E1499 | E1499-T1502 PolarHBondContact O-N 3.45Å; E1499-T1502 PolarHBondContact O-OG1 3.26Å; E1499-T1502 PolarHBondContact OE2-OG1 3.17Å |
| 1503 | H | 84.6 | Confident | 86.3 | Confident | 44 Ų | 44 | 66.9 Ų | 66.9 | 20% | 0.204 | 37% | 0.373 | C | S | . | . | trans | -67.7 | 131.6 | 178.3 | -171.1 | 66.2 | 0 | 0 | 0 | 111.6 | V1498 E1499 G1505 Y1518 | V1498-H1503 HydrophobicContact CB-CB 4.47Å; V1498-H1503 HydrophobicContact CG2-CB 4.4Å; E1499-H1503 VanDerWaalsContact O-CB 3.23Å; E1499-H1503 WeakPolarHBondContact O-CB 3.21Å; E1499-H1503 PolarHBondContact O-N 2.83Å; H1503-G1505 PolarHBondContact CD2-N 3.28Å; H1503-G1505 VanDerWaalsContact CD2-N 3.33Å; H1503-G1505 PolarHBondContact CD2-O 3.33Å; H1503-G1505 VanDerWaalsContact NE2-C 3.31Å; H1503-G1505 WeakPolarHBondContact NE2-CA 3.1Å; H1503-G1505 PolarHBondContact NE2-N 3.19Å; H1503-Y1518 AromaticContact CE1-CD1 3.73Å; H1503-Y1518 AromaticContact CE1-CD2 3.85Å; H1503-Y1518 AromaticContact CE1-CE1 3.69Å; H1503-Y1518 AromaticContact CE1-CE2 3.81Å; H1503-Y1518 AromaticContact CE1-CG 3.8Å; H1503-Y1518 AromaticContact CE1-CZ 3.72Å; H1503-Y1518 AromaticContact NE2-CD2 3.52Å; H1503-Y1518 AromaticContact NE2-CE2 3.39Å; H1503-Y1518 WeakPolarHBondContact NE2-CE2 3.44Å; H1503-Y1518 AromaticContact NE2-CG 3.94Å; H1503-Y1518 AromaticContact NE2-CZ 3.7Å | ||
| 1504 | S | 79.3 | Confident | 85.8 | Confident | 109 Ų | 109 | 67.1 Ų | 67.1 | 76% | 0.762 | 38% | 0.375 | S | S | * | . | trans | -106.9 | 2.3 | -179.7 | 54 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1505 | G | 80.9 | Confident | 85.5 | Confident | 22 Ų | 22 | 69.6 Ų | 69.6 | 23% | 0.227 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -94 | -166.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | H1503 A1507 | H1503-G1505 PolarHBondContact CD2-N 3.28Å; H1503-G1505 VanDerWaalsContact CD2-N 3.33Å; H1503-G1505 PolarHBondContact CD2-O 3.33Å; H1503-G1505 VanDerWaalsContact NE2-C 3.31Å; H1503-G1505 WeakPolarHBondContact NE2-CA 3.1Å; H1503-G1505 PolarHBondContact NE2-N 3.19Å; G1505-A1507 PolarHBondContact O-N 3.24Å |
| 1506 | Y | 85.5 | Confident | 85.4 | Confident | 54 Ų | 54 | 69.5 Ų | 69.5 | 21% | 0.212 | 39% | 0.388 | C | S | . | . | trans | -60.9 | 124.2 | 179.1 | -179.6 | -125.9 | 0 | 0 | 0 | 112 | L1459 G1508 E1525 V1527 | L1459-Y1506 HydrophobicContact CB-CD1 4.25Å; L1459-Y1506 HydrophobicContact CB-CE1 4.06Å; L1459-Y1506 HydrophobicContact CB-CE2 4.41Å; L1459-Y1506 HydrophobicContact CD1-CD2 3.73Å; L1459-Y1506 HydrophobicContact CD1-CE2 3.78Å; L1459-Y1506 HydrophobicContact CD1-CG 4.25Å; L1459-Y1506 HydrophobicContact CD2-CD1 4.25Å; L1459-Y1506 HydrophobicContact CD2-CD2 4.22Å; L1459-Y1506 HydrophobicContact CD2-CG 3.9Å; L1459-Y1506 HydrophobicContact CG-CD2 4.41Å; L1459-Y1506 HydrophobicContact CG-CG 4.45Å; Y1506-G1508 VanDerWaalsContact CZ-CA 3.49Å; Y1506-E1525 WeakPolarHBondContact CB-OE2 3.41Å; Y1506-E1525 PolarHBondContact N-OE2 3.48Å; Y1506-V1527 HydrophobicContact CD1-CB 4.32Å; Y1506-V1527 HydrophobicContact CD1-CG2 3.72Å; Y1506-V1527 HydrophobicContact CE1-CB 4.44Å; Y1506-V1527 HydrophobicContact CE1-CG2 4.29Å; Y1506-V1527 HydrophobicContact CG-CG2 4.43Å; Y1506-V1527 WeakPolarHBondContact O-CG2 3.48Å | ||
| 1507 | A | 86.5 | Confident | 85.6 | Confident | 37 Ų | 37 | 62.4 Ų | 62.4 | 31% | 0.306 | 36% | 0.361 | S | S | . | . | trans | -93.4 | -1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | L1500 G1505 G1509 L1510 | L1500-A1507 HydrophobicContact CD2-CB 4.01Å; G1505-A1507 PolarHBondContact O-N 3.24Å; A1507-G1509 VanDerWaalsContact C-N 3.26Å; A1507-G1509 PolarHBondContact O-N 3.01Å; A1507-L1510 WeakPolarHBondContact O-CB 3.41Å; A1507-L1510 PolarHBondContact O-N 2.87Å | ||
| 1508 | G | 89 | Confident | 85.8 | Confident | 3 Ų | 3 | 57.5 Ų | 57.5 | 3% | 0.031 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66 | 22.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115 | Y1506 L1510 H1529 | Y1506-G1508 VanDerWaalsContact CZ-CA 3.49Å; G1508-L1510 PolarHBondContact O-N 3.38Å; G1508-H1529 PolarHBondContact O-CE1 2.83Å; G1508-H1529 PolarHBondContact O-NE2 3.43Å |
| 1509 | G | 87.6 | Confident | 85.9 | Confident | 65 Ų | 65 | 58 Ų | 58 | 67% | 0.67 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | 14 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | A1507 | A1507-G1509 VanDerWaalsContact C-N 3.26Å; A1507-G1509 PolarHBondContact O-N 3.01Å |
| 1510 | L | 87.3 | Confident | 85.6 | Confident | 17 Ų | 17 | 54.8 Ų | 54.8 | 9% | 0.089 | 33% | 0.325 | C | S | . | . | trans | -84.3 | 150.9 | 175.9 | -65 | 172.3 | 0 | 0 | 0 | 111.5 | L1500 A1507 G1508 I1516 V1527 L1534 H1545 | L1500-L1510 HydrophobicContact CD1-CB 3.95Å; L1500-L1510 HydrophobicContact CD1-CD1 4.2Å; L1500-L1510 HydrophobicContact CD2-CB 4.43Å; A1507-L1510 WeakPolarHBondContact O-CB 3.41Å; A1507-L1510 PolarHBondContact O-N 2.87Å; G1508-L1510 PolarHBondContact O-N 3.38Å; L1510-I1516 HydrophobicContact CD1-CG2 3.61Å; L1510-V1527 HydrophobicContact CD1-CG1 4.43Å; L1510-L1534 HydrophobicContact CD1-CD2 4.43Å; L1510-L1534 HydrophobicContact CD2-CD2 3.53Å; L1510-H1545 HydrophobicContact CD2-CB 4.33Å | ||
| 1511 | P | 79.9 | Confident | 85.1 | Confident | 67 Ų | 67 | 54.9 Ų | 54.9 | 44% | 0.435 | 33% | 0.326 | S | S | . | . | trans | -65.3 | 162.2 | 172.1 | 28.2 | -33.9 | 0 | 0 | 0 | 111.5 | L1500 E1513 | L1500-P1511 WeakPolarHBondContact CD1-O 3.44Å; P1511-E1513 PolarHBondContact O-N 3.4Å | ||
| 1512 | T | 78.2 | Confident | 84.2 | Confident | 98 Ų | 98 | 46 Ų | 46 | 60% | 0.601 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -73.6 | 31 | -174.1 | 54 | 0 | 0 | 0 | 0 | 115 | R1501 | R1501-T1512 WeakPolarHBondContact CB-O 3.26Š|
| 1513 | E | 78.4 | Confident | 83.6 | Confident | 132 Ų | 132 | 42.5 Ų | 42.5 | 62% | 0.617 | 27% | 0.271 | S | S | * | . | trans | -129.6 | 136.6 | -177.1 | -64.9 | -169.6 | 171.5 | 0 | 0 | 111.4 | L1500 P1511 | L1500-E1513 WeakPolarHBondContact CD1-O 3.34Å; P1511-E1513 PolarHBondContact O-N 3.4Å | ||
| 1514 | G | 82.7 | Confident | 83.5 | Confident | 39 Ų | 39 | 40.7 Ų | 40.7 | 40% | 0.402 | 26% | 0.262 | S | S | . | . | S | Bend | trans | 99.1 | -174.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1500 | L1500-G1514 PolarHBondContact N-O 3.23Š|
| 1515 | T | 88 | Confident | 83.9 | Confident | 53 Ų | 53 | 36 Ų | 36 | 33% | 0.325 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 141.8 | 178.7 | 68 | 0 | 0 | 0 | 0 | 110.7 | Q1497 V1498 | Q1497-T1515 PolarHBondContact NE2-OG1 2.82Å; V1498-T1515 CarbonylContact O-C 3.36Å; V1498-T1515 WeakPolarHBondContact O-CA 3.28Å |
| 1516 | I | 90.5 | Very high | 84.5 | Confident | 9 Ų | 9 | 34.9 Ų | 34.9 | 5% | 0.046 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 150.8 | -178.6 | 55.6 | 159 | 0 | 0 | 0 | 110.9 | Q1497 V1498 L1500 L1510 V1527 | Q1497-I1516 WeakPolarHBondContact CA-O 3.07Å; V1498-I1516 HydrophobicContact CG2-CD1 4.2Å; V1498-I1516 HydrophobicContact CG2-CG1 3.69Å; V1498-I1516 PolarHBondContact N-O 3.2Å; V1498-I1516 PolarHBondContact O-N 2.81Å; L1500-I1516 HydrophobicContact CD1-CG2 3.81Å; L1500-I1516 HydrophobicContact CD2-CD1 3.55Å; L1500-I1516 HydrophobicContact CD2-CG1 3.88Å; L1500-I1516 HydrophobicContact CG-CD1 4.24Å; L1500-I1516 HydrophobicContact CG-CG1 4Å; L1500-I1516 HydrophobicContact CG-CG2 4.22Å; L1510-I1516 HydrophobicContact CD1-CG2 3.61Å; I1516-V1527 HydrophobicContact CD1-CB 4.35Å; I1516-V1527 HydrophobicContact CD1-CG1 3.55Å; I1516-V1527 HydrophobicContact CD1-CG2 3.92Å |
| 1517 | P | 94.3 | Very high | 85 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.013 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 128.5 | 163.2 | -9.5 | 25.9 | 0 | 0 | 0 | 109.7 | V1491 F1528 V1530 | V1491-P1517 HydrophobicContact CG1-CG 3.5Å; V1491-P1517 VanDerWaalsContact CG1-CG 3.5Å; P1517-F1528 HydrophobicContact CB-CB 4.16Å; P1517-F1528 HydrophobicContact CB-CD2 3.96Å; P1517-F1528 HydrophobicContact CB-CG 4.43Å; P1517-F1528 HydrophobicContact CG-CB 4.14Å; P1517-F1528 PolarHBondContact O-N 3.14Å; P1517-V1530 HydrophobicContact CG-CG2 3.67Å |
| 1518 | Y | 93.3 | Very high | 85.4 | Confident | 16 Ų | 16 | 30.6 Ų | 30.6 | 6% | 0.063 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 131.7 | 178.9 | 172.8 | -93 | 0 | 0 | 0 | 109.7 | G1495 W1496 V1498 H1503 C1520 E1525 V1526 V1527 | G1495-Y1518 CarbonylContact C-O 3.59Å; G1495-Y1518 WeakPolarHBondContact CA-O 3.24Å; W1496-Y1518 HydrophobicContact CE3-CD1 4.32Å; W1496-Y1518 PolarHBondContact N-O 3.13Å; W1496-Y1518 PolarHBondContact O-N 3.49Å; V1498-Y1518 HydrophobicContact CG1-CD1 4.4Å; V1498-Y1518 HydrophobicContact CG2-CG 4.26Å; H1503-Y1518 AromaticContact CE1-CD1 3.73Å; H1503-Y1518 AromaticContact CE1-CD2 3.85Å; H1503-Y1518 AromaticContact CE1-CE1 3.69Å; H1503-Y1518 AromaticContact CE1-CE2 3.81Å; H1503-Y1518 AromaticContact CE1-CG 3.8Å; H1503-Y1518 AromaticContact CE1-CZ 3.72Å; H1503-Y1518 AromaticContact NE2-CD2 3.52Å; H1503-Y1518 AromaticContact NE2-CE2 3.39Å; H1503-Y1518 WeakPolarHBondContact NE2-CE2 3.44Å; H1503-Y1518 AromaticContact NE2-CG 3.94Å; H1503-Y1518 AromaticContact NE2-CZ 3.7Å; Y1518-C1520 HydrophobicContact CE1-CB 3.7Å; Y1518-C1520 WeakPolarHBondContact OH-CB 3.21Å; Y1518-E1525 HydrophobicContact CE2-CB 4.11Å; Y1518-E1525 WeakPolarHBondContact OH-CG 3.43Å; Y1518-E1525 PolarHBondContact OH-OE2 3.04Å; Y1518-V1526 WeakPolarHBondContact CA-O 3.08Å; Y1518-V1527 HydrophobicContact CD2-CG2 3.93Å |
| 1519 | Y | 91.1 | Very high | 85.7 | Confident | 37 Ų | 37 | 30.6 Ų | 30.6 | 15% | 0.145 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 142.6 | 174.5 | 176.1 | -99.2 | 0 | 0 | 0 | 109.2 | W1496 T1521 I1524 E1525 V1526 R1619 I1623 | W1496-Y1519 HydrophobicContact CH2-CD2 4.49Å; W1496-Y1519 HydrophobicContact CZ3-CD2 4.49Å; Y1519-T1521 HydrophobicContact CE1-CG2 3.6Å; Y1519-T1521 WeakPolarHBondContact OH-CG2 3.42Å; Y1519-I1524 HydrophobicContact CE1-CD1 4.24Å; Y1519-E1525 CarbonylContact O-C 3.59Å; Y1519-V1526 HydrophobicContact CD1-CG2 4.14Å; Y1519-V1526 PolarHBondContact N-O 3.38Å; Y1519-V1526 PolarHBondContact O-N 3.46Å; Y1519-R1619 HydrophobicContact CD1-CG 4.5Å; Y1519-I1623 HydrophobicContact CD1-CD1 4.41Å; Y1519-I1623 HydrophobicContact CE1-CD1 4.37Å |
| 1520 | C | 84.5 | Confident | 86.1 | Confident | 32 Ų | 32 | 27.7 Ų | 27.7 | 22% | 0.216 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 153.8 | 174.4 | 71.7 | 0 | 0 | 0 | 0 | 111.9 | Y1518 I1524 E1525 | Y1518-C1520 HydrophobicContact CE1-CB 3.7Å; Y1518-C1520 WeakPolarHBondContact OH-CB 3.21Å; C1520-I1524 CarbonylContact C-O 3.51Å; C1520-I1524 VanDerWaalsContact CA-O 3.27Å; C1520-I1524 WeakPolarHBondContact CA-O 3.28Å; C1520-I1524 WeakPolarHBondContact CB-O 3.46Å; C1520-E1525 HydrophobicContact CB-CB 4.47Å; C1520-E1525 HydrophobicContact CB-CG 4.14Å |
| 1521 | T | 75.2 | Confident | 86.3 | Confident | 14 Ų | 14 | 26.9 Ų | 26.9 | 9% | 0.086 | 16% | 0.157 | C | C | . | . | trans | -123.5 | -176 | 168.3 | 84.2 | 0 | 0 | 0 | 0 | 108.5 | E1161 R1457 Y1519 L1523 I1524 | E1161-T1521 WeakPolarHBondContact OE1-CB 3.34Å; E1161-T1521 VanDerWaalsContact OE1-CG2 3.3Å; E1161-T1521 WeakPolarHBondContact OE1-CG2 3.32Å; E1161-T1521 PolarHBondContact OE1-OG1 3.08Å; R1457-T1521 PolarHBondContact NH1-O 2.97Å; Y1519-T1521 HydrophobicContact CE1-CG2 3.6Å; Y1519-T1521 WeakPolarHBondContact OH-CG2 3.42Å; T1521-L1523 PolarHBondContact O-N 3.42Å; T1521-L1523 PolarHBondContact OG1-N 3.29Å; T1521-I1524 HydrophobicContact CG2-CD1 3.86Å; T1521-I1524 HydrophobicContact CG2-CG1 3.79Å; T1521-I1524 PolarHBondContact N-O 2.86Å; T1521-I1524 WeakPolarHBondContact OG1-CG1 3.45Å; T1521-I1524 PolarHBondContact OG1-N 3.32Å | ||
| 1522 | P | 66.9 | Low | 86.9 | Confident | 12 Ų | 12 | 24.3 Ų | 24.3 | 8% | 0.078 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -57.7 | -31 | 173.1 | -21.9 | 32.5 | 0 | 0 | 0 | 114.2 | L1164 H1287 R1457 | L1164-P1522 HydrophobicContact CB-CG 4.14Å; L1164-P1522 HydrophobicContact CD1-CB 3.38Å; L1164-P1522 HydrophobicContact CD1-CG 3.48Å; L1164-P1522 VanDerWaalsContact CD1-CG 3.48Å; L1164-P1522 HydrophobicContact CG-CG 4.44Å; H1287-P1522 WeakPolarHBondContact ND1-CA 3.42Å; R1457-P1522 PolarHBondContact NE-O 3.25Å |
| 1523 | L | 73.1 | Confident | 87.3 | Confident | 30 Ų | 30 | 22.5 Ų | 22.5 | 16% | 0.157 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -107.9 | -20.6 | -171.6 | -60 | 180 | 0 | 0 | 0 | 113.6 | N1157 E1161 V1283 R1457 E1458 T1521 | N1157-L1523 HydrophobicContact CB-CD1 3.89Å; E1161-L1523 HydrophobicContact CB-CD1 4.44Å; V1283-L1523 HydrophobicContact CG1-CD2 3.99Å; R1457-L1523 WeakPolarHBondContact CA-O 3.47Å; R1457-L1523 WeakPolarHBondContact CB-O 3.46Å; E1458-L1523 PolarHBondContact N-O 2.66Å; T1521-L1523 PolarHBondContact O-N 3.42Å; T1521-L1523 PolarHBondContact OG1-N 3.29Å |
| 1524 | I | 81.3 | Confident | 87.7 | Confident | 6 Ų | 6 | 17 Ų | 17 | 3% | 0.031 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 153.1 | -174.7 | 80.5 | -171.3 | 0 | 0 | 0 | 113 | E1458 Y1519 C1520 T1521 V1526 I1623 | E1458-I1524 HydrophobicContact CB-CB 4.41Å; E1458-I1524 HydrophobicContact CB-CG2 4.02Å; E1458-I1524 CarbonylContact O-C 3.58Å; E1458-I1524 VanDerWaalsContact O-CA 3.3Å; E1458-I1524 WeakPolarHBondContact O-CA 3.49Å; Y1519-I1524 HydrophobicContact CE1-CD1 4.24Å; C1520-I1524 CarbonylContact C-O 3.51Å; C1520-I1524 VanDerWaalsContact CA-O 3.27Å; C1520-I1524 WeakPolarHBondContact CA-O 3.28Å; C1520-I1524 WeakPolarHBondContact CB-O 3.46Å; T1521-I1524 HydrophobicContact CG2-CD1 3.86Å; T1521-I1524 HydrophobicContact CG2-CG1 3.79Å; T1521-I1524 PolarHBondContact N-O 2.86Å; T1521-I1524 WeakPolarHBondContact OG1-CG1 3.45Å; T1521-I1524 PolarHBondContact OG1-N 3.32Å; I1524-V1526 HydrophobicContact CD1-CG2 4.36Å; I1524-V1526 HydrophobicContact CG1-CG2 4.37Å; I1524-I1623 HydrophobicContact CD1-CD1 3.89Å; I1524-I1623 HydrophobicContact CD1-CG2 4.16Å |
| 1525 | E | 87.8 | Confident | 87.3 | Confident | 10 Ų | 10 | 18.6 Ų | 18.6 | 5% | 0.047 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 138.5 | 165.6 | -54.9 | -169.1 | -154.4 | 0 | 0 | 109.7 | R1457 E1458 L1459 H1460 Y1506 Y1518 Y1519 C1520 | R1457-E1525 HydrophobicContact CB-CG 4.17Å; R1457-E1525 WeakPolarHBondContact CD-OE1 3.42Å; R1457-E1525 IonicContact NE-OE1 3.82Å; R1457-E1525 IonicContact NH1-OE1 3.12Å; E1458-E1525 PolarHBondContact O-N 3.49Å; L1459-E1525 CarbonylContact C-O 3.59Å; L1459-E1525 WeakPolarHBondContact CA-O 3.28Å; L1459-E1525 HydrophobicContact CD2-CB 3.9Å; L1459-E1525 HydrophobicContact CD2-CG 4.28Å; H1460-E1525 PolarHBondContact N-O 3.25Å; Y1506-E1525 WeakPolarHBondContact CB-OE2 3.41Å; Y1506-E1525 PolarHBondContact N-OE2 3.48Å; Y1518-E1525 HydrophobicContact CE2-CB 4.11Å; Y1518-E1525 WeakPolarHBondContact OH-CG 3.43Å; Y1518-E1525 PolarHBondContact OH-OE2 3.04Å; Y1519-E1525 CarbonylContact O-C 3.59Å; C1520-E1525 HydrophobicContact CB-CB 4.47Å; C1520-E1525 HydrophobicContact CB-CG 4.14Å |
| 1526 | V | 94.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 129.1 | -174.3 | -172.2 | 0 | 0 | 0 | 0 | 109.4 | H1460 I1462 Y1518 Y1519 I1524 F1528 I1623 | H1460-V1526 HydrophobicContact CB-CB 4.46Å; H1460-V1526 HydrophobicContact CB-CG1 4.12Å; H1460-V1526 HydrophobicContact CB-CG2 4.16Å; H1460-V1526 WeakPolarHBondContact O-CA 3.23Å; I1462-V1526 HydrophobicContact CD1-CG1 3.76Å; Y1518-V1526 WeakPolarHBondContact CA-O 3.08Å; Y1519-V1526 HydrophobicContact CD1-CG2 4.14Å; Y1519-V1526 PolarHBondContact N-O 3.38Å; Y1519-V1526 PolarHBondContact O-N 3.46Å; I1524-V1526 HydrophobicContact CD1-CG2 4.36Å; I1524-V1526 HydrophobicContact CG1-CG2 4.37Å; V1526-F1528 HydrophobicContact CB-CE2 4.39Å; V1526-F1528 HydrophobicContact CG1-CD2 4.34Å; V1526-F1528 HydrophobicContact CG1-CE1 4.18Å; V1526-F1528 HydrophobicContact CG1-CE2 3.72Å; V1526-F1528 HydrophobicContact CG1-CZ 3.63Å; V1526-I1623 HydrophobicContact CG2-CD1 3.88Å; V1526-I1623 HydrophobicContact CG2-CG1 3.94Å |
| 1527 | V | 94.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 136.1 | 173.5 | 169.3 | 0 | 0 | 0 | 0 | 109.3 | H1460 K1461 I1462 Y1506 L1510 I1516 Y1518 | H1460-V1527 PolarHBondContact O-N 3.44Å; K1461-V1527 WeakPolarHBondContact CA-O 3.35Å; I1462-V1527 PolarHBondContact N-O 3.05Å; Y1506-V1527 HydrophobicContact CD1-CB 4.32Å; Y1506-V1527 HydrophobicContact CD1-CG2 3.72Å; Y1506-V1527 HydrophobicContact CE1-CB 4.44Å; Y1506-V1527 HydrophobicContact CE1-CG2 4.29Å; Y1506-V1527 HydrophobicContact CG-CG2 4.43Å; Y1506-V1527 WeakPolarHBondContact O-CG2 3.48Å; L1510-V1527 HydrophobicContact CD1-CG1 4.43Å; I1516-V1527 HydrophobicContact CD1-CB 4.35Å; I1516-V1527 HydrophobicContact CD1-CG1 3.55Å; I1516-V1527 HydrophobicContact CD1-CG2 3.92Å; Y1518-V1527 HydrophobicContact CD2-CG2 3.93Å |
| 1528 | F | 96.4 | Very high | 85.2 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 117.5 | 177.7 | -61.6 | -87.9 | 0 | 0 | 0 | 111 | I1462 V1464 L1494 P1517 V1526 V1530 I1553 R1619 | I1462-F1528 HydrophobicContact CB-CD1 3.97Å; I1462-F1528 HydrophobicContact CB-CE1 4.21Å; I1462-F1528 HydrophobicContact CD1-CD1 4.5Å; I1462-F1528 HydrophobicContact CD1-CE1 3.89Å; I1462-F1528 HydrophobicContact CD1-CZ 4.47Å; I1462-F1528 HydrophobicContact CG2-CD1 4.18Å; I1462-F1528 HydrophobicContact CG2-CE1 4.33Å; I1462-F1528 CarbonylContact O-C 3.59Å; I1462-F1528 VanDerWaalsContact O-CA 3.29Å; I1462-F1528 WeakPolarHBondContact O-CA 2.88Å; V1464-F1528 HydrophobicContact CG2-CB 3.96Å; V1464-F1528 HydrophobicContact CG2-CD1 3.87Å; V1464-F1528 HydrophobicContact CG2-CG 4.35Å; L1494-F1528 HydrophobicContact CB-CD2 4.23Å; L1494-F1528 HydrophobicContact CB-CE1 4.37Å; L1494-F1528 HydrophobicContact CB-CE2 4Å; L1494-F1528 HydrophobicContact CB-CG 4.5Å; L1494-F1528 HydrophobicContact CB-CZ 4.07Å; L1494-F1528 HydrophobicContact CD1-CD1 4Å; L1494-F1528 HydrophobicContact CD1-CE1 4.2Å; L1494-F1528 HydrophobicContact CD1-CG 4.35Å; L1494-F1528 HydrophobicContact CD2-CE1 4.31Å; L1494-F1528 HydrophobicContact CD2-CZ 4.44Å; P1517-F1528 HydrophobicContact CB-CB 4.16Å; P1517-F1528 HydrophobicContact CB-CD2 3.96Å; P1517-F1528 HydrophobicContact CB-CG 4.43Å; P1517-F1528 HydrophobicContact CG-CB 4.14Å; P1517-F1528 PolarHBondContact O-N 3.14Å; V1526-F1528 HydrophobicContact CB-CE2 4.39Å; V1526-F1528 HydrophobicContact CG1-CD2 4.34Å; V1526-F1528 HydrophobicContact CG1-CE1 4.18Å; V1526-F1528 HydrophobicContact CG1-CE2 3.72Å; V1526-F1528 HydrophobicContact CG1-CZ 3.63Å; F1528-V1530 HydrophobicContact CB-CG2 4.31Å; F1528-V1530 PolarHBondContact O-N 2.8Å; F1528-V1530 VanDerWaalsContact O-N 3.15Å; F1528-I1553 HydrophobicContact CE1-CD1 4.33Å; F1528-R1619 HydrophobicContact CZ-CG 4.14Å |
| 1529 | H | 95.3 | Very high | 84.8 | Confident | 4 Ų | 4 | 30.1 Ų | 30.1 | 2% | 0.019 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 87.1 | 174.3 | -72.2 | -174.9 | 0 | 0 | 0 | 109.9 | I1462 V1464 G1508 I1546 D1549 | I1462-H1529 PolarHBondContact O-N 3.18Å; V1464-H1529 PolarHBondContact N-O 3.29Å; G1508-H1529 PolarHBondContact O-CE1 2.83Å; G1508-H1529 PolarHBondContact O-NE2 3.43Å; H1529-I1546 HydrophobicContact CB-CG1 4.24Å; H1529-D1549 IonicContact CE1-OD1 3.19Å; H1529-D1549 IonicContact CE1-OD2 3.53Å; H1529-D1549 IonicContact CG-OD2 3.98Å; H1529-D1549 IonicContact ND1-OD1 3.44Å; H1529-D1549 IonicContact ND1-OD2 2.94Å; H1529-D1549 PolarHBondContact ND1-OD2 2.72Å |
| 1530 | V | 94.8 | Very high | 84.5 | Confident | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.018 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 120.5 | -177.4 | -171.6 | 0 | 0 | 0 | 0 | 110.7 | V1464 F1487 V1491 P1517 F1528 T1532 R1533 L1534 | V1464-V1530 HydrophobicContact CB-CG2 4.19Å; V1464-V1530 HydrophobicContact CG2-CG2 4.49Å; V1464-V1530 CarbonylContact O-C 3.49Å; V1464-V1530 WeakPolarHBondContact O-CA 3.05Å; F1487-V1530 HydrophobicContact CE1-CG1 4Å; F1487-V1530 HydrophobicContact CZ-CG1 3.81Å; V1491-V1530 HydrophobicContact CG1-CG1 4.39Å; V1491-V1530 HydrophobicContact CG1-CG2 3.87Å; V1491-V1530 HydrophobicContact CG2-CG1 4.12Å; P1517-V1530 HydrophobicContact CG-CG2 3.67Å; F1528-V1530 HydrophobicContact CB-CG2 4.31Å; F1528-V1530 PolarHBondContact O-N 2.8Å; F1528-V1530 VanDerWaalsContact O-N 3.15Å; V1530-T1532 VanDerWaalsContact C-N 3.28Å; V1530-T1532 WeakPolarHBondContact CG1-OG1 3.34Å; V1530-T1532 PolarHBondContact O-N 3.41Å; V1530-R1533 HydrophobicContact CB-CB 4.16Å; V1530-R1533 HydrophobicContact CB-CG 4.17Å; V1530-R1533 HydrophobicContact CG1-CG 4.11Å; V1530-R1533 PolarHBondContact O-N 2.83Å; V1530-L1534 PolarHBondContact O-N 3.09Å |
| 1531 | S | 92.8 | Very high | 84.5 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -55.1 | -40.8 | -175.9 | 71.9 | 0 | 0 | 0 | 0 | 112.9 | V1464 Y1466 R1533 K1542 | V1464-S1531 PolarHBondContact O-N 3.45Å; Y1466-S1531 PolarHBondContact N-OG 3.48Å; S1531-R1533 VanDerWaalsContact C-N 3.31Å; S1531-R1533 PolarHBondContact O-N 2.98Å; S1531-K1542 WeakPolarHBondContact O-CE 3.23Å; S1531-K1542 PolarHBondContact O-NZ 3.35Å |
| 1532 | T | 90.9 | Very high | 85.1 | Confident | 13 Ų | 13 | 36.9 Ų | 36.9 | 8% | 0.08 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -70.9 | -24.3 | 179.6 | 58.3 | 0 | 0 | 0 | 0 | 113 | Y1466 N1480 F1487 E1488 V1530 | Y1466-T1532 HydrophobicContact CD1-CG2 4.35Å; Y1466-T1532 HydrophobicContact CG-CG2 4.49Å; N1480-T1532 HydrophobicContact CB-CG2 4.39Å; F1487-T1532 HydrophobicContact CE1-CG2 4.06Å; E1488-T1532 PolarHBondContact OE1-OG1 3.46Å; E1488-T1532 VanDerWaalsContact OE1-OG1 3.12Å; V1530-T1532 VanDerWaalsContact C-N 3.28Å; V1530-T1532 WeakPolarHBondContact CG1-OG1 3.34Å; V1530-T1532 PolarHBondContact O-N 3.41Å |
| 1533 | R | 87.4 | Confident | 86.1 | Confident | 61 Ų | 61 | 38.2 Ų | 38.2 | 23% | 0.23 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -99.5 | -4.6 | -174 | -57.8 | -172.5 | 177.8 | -167.4 | 0.5 | 115 | E1488 V1530 S1531 S1535 | E1488-R1533 IonicContact OE2-CZ 2.66Å; E1488-R1533 IonicContact OE2-NE 2.76Å; E1488-R1533 PolarHBondContact OE2-NE 3.41Å; E1488-R1533 IonicContact OE2-NH2 3.64Å; E1488-R1533 PolarHBondContact OE2-NH2 2.72Å; V1530-R1533 HydrophobicContact CB-CB 4.16Å; V1530-R1533 HydrophobicContact CB-CG 4.17Å; V1530-R1533 HydrophobicContact CG1-CG 4.11Å; V1530-R1533 PolarHBondContact O-N 2.83Å; S1531-R1533 VanDerWaalsContact C-N 3.31Å; S1531-R1533 PolarHBondContact O-N 2.98Å; R1533-S1535 PolarHBondContact O-N 3.47Å |
| 1534 | L | 87.6 | Confident | 86.8 | Confident | 16 Ų | 16 | 44.6 Ų | 44.6 | 8% | 0.084 | 21% | 0.212 | C | C | . | . | trans | -74.1 | 122.2 | 175 | -69.4 | 173.7 | 0 | 0 | 0 | 110.5 | L1510 V1530 C1536 K1542 H1545 I1546 | L1510-L1534 HydrophobicContact CD1-CD2 4.43Å; L1510-L1534 HydrophobicContact CD2-CD2 3.53Å; V1530-L1534 PolarHBondContact O-N 3.09Å; L1534-C1536 PolarHBondContact O-N 3.48Å; L1534-K1542 HydrophobicContact CB-CG 4.44Å; L1534-K1542 HydrophobicContact CD1-CG 3.87Å; L1534-H1545 HydrophobicContact CD1-CB 4.26Å; L1534-I1546 HydrophobicContact CD1-CD1 3.63Å; L1534-I1546 HydrophobicContact CD1-CG1 3.84Å | ||
| 1535 | S | 73.1 | Confident | 87.1 | Confident | 72 Ų | 72 | 46.1 Ų | 46.1 | 50% | 0.503 | 22% | 0.219 | S | C | . | . | trans | -70.4 | 4.2 | -179.5 | 54.7 | 0 | 0 | 0 | 0 | 114.9 | R1533 E1537 | R1533-S1535 PolarHBondContact O-N 3.47Å; S1535-E1537 PolarHBondContact O-N 3.11Å | ||
| 1536 | C | 75.9 | Confident | 87.3 | Confident | 21 Ų | 21 | 45.6 Ų | 45.6 | 14% | 0.142 | 22% | 0.217 | C | C | . | . | trans | -70.9 | 119.1 | -179.6 | -66.5 | 0 | 0 | 0 | 0 | 111.1 | R1481 L1534 R1541 K1542 | R1481-C1536 PolarHBondContact NH1-O 2.76Å; L1534-C1536 PolarHBondContact O-N 3.48Å; C1536-R1541 HydrophobicContact CB-CB 4.14Å; C1536-K1542 HydrophobicContact CB-CB 4.17Å | ||
| 1537 | E | 71.4 | Confident | 87 | Confident | 172 Ų | 172 | 45.7 Ų | 45.7 | 80% | 0.804 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -71.2 | -36.4 | 168.9 | -68 | -170.7 | 167.3 | 0 | 0 | 111.7 | S1535 | S1535-E1537 PolarHBondContact O-N 3.11Š|
| 1538 | E | 82.5 | Confident | 86.8 | Confident | 97 Ų | 97 | 48.8 Ų | 48.8 | 45% | 0.453 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -83.8 | 122.1 | -177.9 | -157.1 | -169.8 | 165.8 | 0 | 0 | 111.5 | T1540 R1541 K1542 | E1538-T1540 VanDerWaalsContact C-N 3.27Å; E1538-T1540 VanDerWaalsContact CG-OG1 3.24Å; E1538-T1540 WeakPolarHBondContact CG-OG1 3.4Å; E1538-T1540 PolarHBondContact O-N 3.44Å; E1538-T1540 PolarHBondContact OE1-OG1 3.2Å; E1538-R1541 HydrophobicContact CB-CB 4.48Å; E1538-R1541 HydrophobicContact CB-CG 4.22Å; E1538-R1541 PolarHBondContact O-N 2.73Å; E1538-R1541 VanDerWaalsContact O-N 3.13Å; E1538-R1541 IonicContact OE2-CZ 2.72Å; E1538-R1541 IonicContact OE2-NE 2.63Å; E1538-R1541 PolarHBondContact OE2-NE 2.73Å; E1538-K1542 PolarHBondContact O-N 2.88Å; E1538-K1542 VanDerWaalsContact O-N 3.15Å |
| 1539 | I | 84.2 | Confident | 86.7 | Confident | 33 Ų | 33 | 48.8 Ų | 48.8 | 17% | 0.169 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.2 | -33.1 | -177.1 | -68.8 | 168.3 | 0 | 0 | 0 | 112.3 | Q1475 L1478 E1479 R1541 K1542 L1543 | Q1475-I1539 HydrophobicContact CG-CD1 4.38Å; Q1475-I1539 VanDerWaalsContact OE1-CD1 3.25Å; L1478-I1539 HydrophobicContact CB-CG2 3.93Å; L1478-I1539 HydrophobicContact CD1-CG2 3.6Å; L1478-I1539 HydrophobicContact CG-CG2 4.42Å; E1479-I1539 HydrophobicContact CG-CD1 3.76Å; I1539-R1541 VanDerWaalsContact C-N 3.34Å; I1539-R1541 PolarHBondContact O-N 2.81Å; I1539-K1542 PolarHBondContact O-N 3.46Å; I1539-L1543 WeakPolarHBondContact O-CB 3.48Å; I1539-L1543 PolarHBondContact O-N 2.8Å |
| 1540 | T | 85 | Confident | 86.7 | Confident | 83 Ų | 83 | 50.4 Ų | 50.4 | 51% | 0.509 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.6 | -40.1 | 176.2 | 56.4 | 0 | 0 | 0 | 0 | 111.9 | E1538 R1544 | E1538-T1540 VanDerWaalsContact C-N 3.27Å; E1538-T1540 VanDerWaalsContact CG-OG1 3.24Å; E1538-T1540 WeakPolarHBondContact CG-OG1 3.4Å; E1538-T1540 PolarHBondContact O-N 3.44Å; E1538-T1540 PolarHBondContact OE1-OG1 3.2Å; T1540-R1544 PolarHBondContact O-N 3.36Å |
| 1541 | R | 84.2 | Confident | 86.8 | Confident | 139 Ų | 139 | 50.3 Ų | 50.3 | 53% | 0.525 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -70.8 | -42.3 | 176 | -66.2 | -176.3 | -171.2 | -161.2 | -5.7 | 111.5 | C1536 E1538 I1539 L1543 R1544 H1545 | C1536-R1541 HydrophobicContact CB-CB 4.14Å; E1538-R1541 HydrophobicContact CB-CB 4.48Å; E1538-R1541 HydrophobicContact CB-CG 4.22Å; E1538-R1541 PolarHBondContact O-N 2.73Å; E1538-R1541 VanDerWaalsContact O-N 3.13Å; E1538-R1541 IonicContact OE2-CZ 2.72Å; E1538-R1541 IonicContact OE2-NE 2.63Å; E1538-R1541 PolarHBondContact OE2-NE 2.73Å; I1539-R1541 VanDerWaalsContact C-N 3.34Å; I1539-R1541 PolarHBondContact O-N 2.81Å; R1541-L1543 VanDerWaalsContact C-N 3.27Å; R1541-L1543 PolarHBondContact O-N 3Å; R1541-R1544 WeakPolarHBondContact O-CB 3.04Å; R1541-R1544 PolarHBondContact O-N 2.93Å; R1541-R1544 VanDerWaalsContact O-N 3.09Å; R1541-H1545 PolarHBondContact O-CD2 3.16Å; R1541-H1545 PolarHBondContact O-N 3.28Å |
| 1542 | K | 87.7 | Confident | 87 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 1% | 0.013 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.1 | -44 | 174.1 | -171.5 | 171.5 | 175.8 | 168.3 | 0 | 111.1 | L1478 N1480 S1531 L1534 C1536 E1538 I1539 R1544 H1545 I1546 | L1478-K1542 WeakPolarHBondContact O-CD 3.47Å; L1478-K1542 WeakPolarHBondContact O-CE 3.47Å; L1478-K1542 PolarHBondContact O-NZ 3.14Å; N1480-K1542 PolarHBondContact O-NZ 3.06Å; N1480-K1542 VanDerWaalsContact O-NZ 3.14Å; S1531-K1542 WeakPolarHBondContact O-CE 3.23Å; S1531-K1542 PolarHBondContact O-NZ 3.35Å; L1534-K1542 HydrophobicContact CB-CG 4.44Å; L1534-K1542 HydrophobicContact CD1-CG 3.87Å; C1536-K1542 HydrophobicContact CB-CB 4.17Å; E1538-K1542 PolarHBondContact O-N 2.88Å; E1538-K1542 VanDerWaalsContact O-N 3.15Å; I1539-K1542 PolarHBondContact O-N 3.46Å; K1542-R1544 PolarHBondContact O-N 3.19Å; K1542-H1545 PolarHBondContact O-N 3.38Å; K1542-I1546 HydrophobicContact CG-CD1 4.19Å; K1542-I1546 PolarHBondContact O-N 3.07Å; K1542-I1546 VanDerWaalsContact O-N 3.09Å |
| 1543 | L | 88.1 | Confident | 87.3 | Confident | 39 Ų | 39 | 49.8 Ų | 49.8 | 20% | 0.204 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.5 | -30.9 | 176 | -167.6 | 73.3 | 0 | 0 | 0 | 113 | L1478 I1539 R1541 H1545 G1547 I1567 | L1478-L1543 HydrophobicContact CD1-CD1 4.08Å; I1539-L1543 WeakPolarHBondContact O-CB 3.48Å; I1539-L1543 PolarHBondContact O-N 2.8Å; R1541-L1543 VanDerWaalsContact C-N 3.27Å; R1541-L1543 PolarHBondContact O-N 3Å; L1543-H1545 PolarHBondContact O-N 3.3Å; L1543-G1547 VanDerWaalsContact O-CA 3.23Å; L1543-G1547 WeakPolarHBondContact O-CA 3.38Å; L1543-G1547 PolarHBondContact O-N 3.35Å; L1543-I1567 HydrophobicContact CD1-CG2 3.78Å |
| 1544 | R | 87.8 | Confident | 87.8 | Confident | 164 Ų | 164 | 46.9 Ų | 46.9 | 62% | 0.619 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -64.6 | -28.4 | 174.7 | -175.7 | -177.8 | -72 | 149.9 | -2.5 | 112.6 | T1540 R1541 K1542 N1548 | T1540-R1544 PolarHBondContact O-N 3.36Å; R1541-R1544 WeakPolarHBondContact O-CB 3.04Å; R1541-R1544 PolarHBondContact O-N 2.93Å; R1541-R1544 VanDerWaalsContact O-N 3.09Å; K1542-R1544 PolarHBondContact O-N 3.19Å; R1544-N1548 PolarHBondContact O-ND2 3.19Å |
| 1545 | H | 88.6 | Confident | 88.3 | Confident | 38 Ų | 38 | 46.1 Ų | 46.1 | 18% | 0.176 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -81.9 | -63.2 | 174 | -66.1 | -66.6 | 0 | 0 | 0 | 109.8 | L1510 L1534 R1541 K1542 L1543 G1547 N1548 | L1510-H1545 HydrophobicContact CD2-CB 4.33Å; L1534-H1545 HydrophobicContact CD1-CB 4.26Å; R1541-H1545 PolarHBondContact O-CD2 3.16Å; R1541-H1545 PolarHBondContact O-N 3.28Å; K1542-H1545 PolarHBondContact O-N 3.38Å; L1543-H1545 PolarHBondContact O-N 3.3Å; H1545-G1547 PolarHBondContact O-N 2.94Å; H1545-N1548 PolarHBondContact O-N 2.73Å |
| 1546 | I | 90.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.2 | -46.6 | -175 | -76.6 | 166.5 | 0 | 0 | 0 | 113 | A1463 I1465 H1529 L1534 K1542 N1548 D1549 H1552 | A1463-I1546 HydrophobicContact CB-CB 4.35Å; A1463-I1546 HydrophobicContact CB-CG1 4.4Å; A1463-I1546 HydrophobicContact CB-CG2 3.86Å; I1465-I1546 HydrophobicContact CD1-CG2 3.69Å; I1465-I1546 HydrophobicContact CG1-CG2 3.97Å; H1529-I1546 HydrophobicContact CB-CG1 4.24Å; L1534-I1546 HydrophobicContact CD1-CD1 3.63Å; L1534-I1546 HydrophobicContact CD1-CG1 3.84Å; K1542-I1546 HydrophobicContact CG-CD1 4.19Å; K1542-I1546 PolarHBondContact O-N 3.07Å; K1542-I1546 VanDerWaalsContact O-N 3.09Å; I1546-N1548 PolarHBondContact O-N 2.88Å; I1546-D1549 PolarHBondContact O-N 3.04Å; I1546-H1552 PolarHBondContact O-NE2 3.07Å |
| 1547 | G | 87.9 | Confident | 90.2 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -11.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1543 H1545 T1569 F1571 | L1543-G1547 VanDerWaalsContact O-CA 3.23Å; L1543-G1547 WeakPolarHBondContact O-CA 3.38Å; L1543-G1547 PolarHBondContact O-N 3.35Å; H1545-G1547 PolarHBondContact O-N 2.94Å; G1547-T1569 WeakPolarHBondContact O-CB 3.37Å; G1547-T1569 PolarHBondContact O-OG1 2.79Å; G1547-F1571 WeakPolarHBondContact O-CB 3.48Å; G1547-F1571 WeakPolarHBondContact O-CD2 3.14Å |
| 1548 | N | 90.9 | Very high | 91 | Very high | 65 Ų | 65 | 37.2 Ų | 37.2 | 35% | 0.348 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 9.4 | 179.5 | -71.6 | -22.3 | 0 | 0 | 0 | 112.6 | K1461 R1544 H1545 I1546 F1571 | K1461-N1548 PolarHBondContact NZ-O 3.05Å; R1544-N1548 PolarHBondContact O-ND2 3.19Å; H1545-N1548 PolarHBondContact O-N 2.73Å; I1546-N1548 PolarHBondContact O-N 2.88Å; N1548-F1571 WeakPolarHBondContact OD1-CD2 3.28Å; N1548-F1571 WeakPolarHBondContact OD1-CE2 3.33Å |
| 1549 | D | 94.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -92.7 | 136.5 | 177.7 | -71.8 | -8.3 | 0 | 0 | 0 | 110.3 | K1461 A1463 H1529 I1546 V1551 H1552 | K1461-D1549 WeakPolarHBondContact CD-OD1 3.41Å; K1461-D1549 VanDerWaalsContact CG-OD1 3.27Å; K1461-D1549 WeakPolarHBondContact CG-OD1 3.49Å; K1461-D1549 IonicContact NZ-OD1 2.77Å; K1461-D1549 PolarHBondContact NZ-OD1 2.77Å; A1463-D1549 HydrophobicContact CB-CB 4.05Å; A1463-D1549 PolarHBondContact N-OD2 2.63Å; H1529-D1549 IonicContact CE1-OD1 3.19Å; H1529-D1549 IonicContact CE1-OD2 3.53Å; H1529-D1549 IonicContact CG-OD2 3.98Å; H1529-D1549 IonicContact ND1-OD1 3.44Å; H1529-D1549 IonicContact ND1-OD2 2.94Å; H1529-D1549 PolarHBondContact ND1-OD2 2.72Å; I1546-D1549 PolarHBondContact O-N 3.04Å; D1549-V1551 PolarHBondContact O-N 3.33Å; D1549-H1552 PolarHBondContact O-CD2 3.25Å; D1549-H1552 PolarHBondContact O-NE2 3.25Å | ||
| 1550 | E | 93.8 | Very high | 90.3 | Very high | 37 Ų | 37 | 38.3 Ų | 38.3 | 17% | 0.173 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -63.7 | -31.2 | -178.3 | -64.3 | 157.9 | -167.9 | 0 | 0 | 112.2 | F1571 D1573 V1574 S1626 R1630 | E1550-F1571 VanDerWaalsContact CA-O 3.32Å; E1550-F1571 WeakPolarHBondContact CA-O 3.3Å; E1550-D1573 PolarHBondContact O-N 3.21Å; E1550-V1574 PolarHBondContact O-N 3.26Å; E1550-S1626 PolarHBondContact OE2-OG 3.34Å; E1550-R1630 IonicContact OE1-CZ 3.91Å; E1550-R1630 IonicContact OE1-NE 2.79Å; E1550-R1630 PolarHBondContact OE1-NE 3.4Å; E1550-R1630 IonicContact OE1-NH2 3.21Å; E1550-R1630 IonicContact OE2-CZ 3.6Å; E1550-R1630 IonicContact OE2-NE 2.63Å; E1550-R1630 PolarHBondContact OE2-NE 2.93Å; E1550-R1630 VanDerWaalsContact OE2-NE 3.09Å; E1550-R1630 IonicContact OE2-NH2 3.36Å |
| 1551 | V | 97 | Very high | 90.2 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 125.4 | -175.8 | -174 | 0 | 0 | 0 | 0 | 109.7 | I1462 A1463 D1549 V1574 I1576 A1622 A1625 | I1462-V1551 HydrophobicContact CG1-CB 4.43Å; I1462-V1551 HydrophobicContact CG2-CB 4.24Å; I1462-V1551 HydrophobicContact CG2-CG1 4.21Å; A1463-V1551 PolarHBondContact N-O 2.78Å; D1549-V1551 PolarHBondContact O-N 3.33Å; V1551-V1574 WeakPolarHBondContact CA-O 3.17Å; V1551-V1574 HydrophobicContact CG1-CB 4.41Å; V1551-V1574 HydrophobicContact CG1-CG1 4.46Å; V1551-V1574 HydrophobicContact CG2-CB 4.28Å; V1551-I1576 HydrophobicContact CG1-CD1 4.33Å; V1551-A1622 HydrophobicContact CG1-CB 3.97Å; V1551-A1625 HydrophobicContact CG2-CB 4.01Å |
| 1552 | H | 97.6 | Very high | 90.4 | Very high | 3 Ų | 3 | 31 Ų | 31 | 1% | 0.014 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 124.2 | 174.3 | -72.9 | -159.4 | 0 | 0 | 0 | 110.4 | I1546 D1549 V1574 L1575 I1576 | I1546-H1552 PolarHBondContact O-NE2 3.07Å; D1549-H1552 PolarHBondContact O-CD2 3.25Å; D1549-H1552 PolarHBondContact O-NE2 3.25Å; H1552-V1574 PolarHBondContact N-O 2.85Å; H1552-L1575 HydrophobicContact CB-CD1 4.01Å; H1552-I1576 PolarHBondContact O-N 3.46Å |
| 1553 | I | 98.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 115.2 | 167.9 | -59.8 | 165.9 | 0 | 0 | 0 | 107.7 | I1462 A1463 V1464 I1465 F1490 F1528 I1576 I1578 V1618 A1622 | I1462-I1553 HydrophobicContact CG2-CD1 3.61Å; I1462-I1553 HydrophobicContact CG2-CG1 3.92Å; A1463-I1553 PolarHBondContact O-N 2.93Å; V1464-I1553 CarbonylContact C-O 3.48Å; V1464-I1553 VanDerWaalsContact CA-O 3.27Å; V1464-I1553 WeakPolarHBondContact CA-O 3.11Å; V1464-I1553 HydrophobicContact CG2-CB 4.36Å; V1464-I1553 HydrophobicContact CG2-CD1 4.36Å; I1465-I1553 PolarHBondContact N-O 3.38Å; F1490-I1553 HydrophobicContact CE1-CG2 4.28Å; F1490-I1553 HydrophobicContact CZ-CG2 4.23Å; F1528-I1553 HydrophobicContact CE1-CD1 4.33Å; I1553-I1576 CarbonylContact C-O 3.59Å; I1553-I1576 VanDerWaalsContact CA-O 3.27Å; I1553-I1576 WeakPolarHBondContact CA-O 3.32Å; I1553-I1576 HydrophobicContact CG1-CB 4.46Å; I1553-I1578 HydrophobicContact CG2-CD1 3.79Å; I1553-I1578 HydrophobicContact CG2-CG1 4.43Å; I1553-V1618 HydrophobicContact CD1-CG1 3.62Å; I1553-V1618 HydrophobicContact CG1-CG1 4.08Å; I1553-V1618 HydrophobicContact CG2-CG1 4.12Å; I1553-A1622 HydrophobicContact CD1-CB 4.17Å |
| 1554 | V | 97.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 121.3 | 177.6 | -179.9 | 0 | 0 | 0 | 0 | 109.2 | I1465 V1467 Y1562 L1575 I1576 V1577 I1578 | I1465-V1554 HydrophobicContact CB-CG2 4.21Å; I1465-V1554 HydrophobicContact CD1-CG2 4.33Å; I1465-V1554 CarbonylContact O-C 3.6Å; I1465-V1554 WeakPolarHBondContact O-CA 3.39Å; V1467-V1554 HydrophobicContact CG2-CG1 3.73Å; V1554-Y1562 HydrophobicContact CB-CD1 4.46Å; V1554-Y1562 HydrophobicContact CG1-CD1 4.22Å; V1554-Y1562 HydrophobicContact CG1-CD2 3.79Å; V1554-Y1562 HydrophobicContact CG1-CE1 4.47Å; V1554-Y1562 HydrophobicContact CG1-CE2 4.05Å; V1554-Y1562 HydrophobicContact CG1-CG 3.88Å; V1554-Y1562 HydrophobicContact CG2-CD1 4.14Å; V1554-Y1562 HydrophobicContact CG2-CE1 3.86Å; V1554-L1575 HydrophobicContact CB-CD1 4.45Å; V1554-L1575 HydrophobicContact CG2-CD1 3.55Å; V1554-I1576 PolarHBondContact N-O 2.85Å; V1554-V1577 HydrophobicContact CB-CB 4.45Å; V1554-V1577 HydrophobicContact CB-CG1 4.05Å; V1554-V1577 HydrophobicContact CB-CG2 4.25Å; V1554-V1577 HydrophobicContact CG1-CG1 4.11Å; V1554-V1577 CarbonylContact O-C 3.5Å; V1554-V1577 VanDerWaalsContact O-CA 3.27Å; V1554-V1577 WeakPolarHBondContact O-CA 3.42Å; V1554-I1578 PolarHBondContact O-N 3.33Å |
| 1555 | W | 97.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 115.1 | 166.8 | -179.7 | -77.3 | 0 | 0 | 0 | 108.7 | I1465 Y1466 V1467 R1486 F1487 F1490 E1557 I1578 P1580 F1586 W1611 L1614 | I1465-W1555 PolarHBondContact O-N 3.34Å; Y1466-W1555 AromaticContact CD2-CD1 3.66Å; Y1466-W1555 HydrophobicContact CD2-CG 4.38Å; Y1466-W1555 AromaticContact CE2-CD1 3.84Å; V1467-W1555 PolarHBondContact N-O 2.82Å; R1486-W1555 HydrophobicContact CB-CH2 4.15Å; R1486-W1555 HydrophobicContact CB-CZ2 3.78Å; F1487-W1555 HydrophobicContact CB-CD2 4.23Å; F1487-W1555 HydrophobicContact CB-CG 4.25Å; F1487-W1555 HydrophobicContact CD2-CB 3.45Å; F1487-W1555 VanDerWaalsContact CD2-CB 3.45Å; F1487-W1555 AromaticContact CD2-CD1 3.98Å; F1487-W1555 AromaticContact CD2-CD2 3.93Å; F1487-W1555 HydrophobicContact CD2-CD2 3.93Å; F1487-W1555 HydrophobicContact CD2-CE3 4.41Å; F1487-W1555 AromaticContact CD2-CG 3.51Å; F1487-W1555 HydrophobicContact CD2-CG 3.51Å; F1487-W1555 HydrophobicContact CE2-CB 3.78Å; F1487-W1555 HydrophobicContact CE2-CG 4.33Å; F1487-W1555 HydrophobicContact CG-CG 4.33Å; F1490-W1555 HydrophobicContact CB-CE3 4.18Å; F1490-W1555 HydrophobicContact CB-CH2 4.21Å; F1490-W1555 HydrophobicContact CB-CZ3 3.6Å; F1490-W1555 AromaticContact CD1-CE3 3.83Å; F1490-W1555 HydrophobicContact CD1-CE3 3.83Å; F1490-W1555 HydrophobicContact CD1-CZ3 4.06Å; F1490-W1555 HydrophobicContact CD2-CZ3 4.16Å; F1490-W1555 HydrophobicContact CE1-CE3 4.39Å; F1490-W1555 AromaticContact CG-CE3 3.95Å; F1490-W1555 HydrophobicContact CG-CE3 3.95Å; F1490-W1555 AromaticContact CG-CZ3 3.67Å; F1490-W1555 HydrophobicContact CG-CZ3 3.67Å; W1555-E1557 PolarHBondContact NE1-OE1 2.91Å; W1555-I1578 HydrophobicContact CE3-CB 4.25Å; W1555-I1578 HydrophobicContact CE3-CD1 4.38Å; W1555-I1578 HydrophobicContact CE3-CG2 3.93Å; W1555-I1578 HydrophobicContact CZ3-CG2 4.07Å; W1555-P1580 HydrophobicContact CH2-CG 4.36Å; W1555-P1580 HydrophobicContact CZ2-CG 3.6Å; W1555-F1586 HydrophobicContact CH2-CD1 4.03Å; W1555-F1586 AromaticContact CH2-CE1 3.31Å; W1555-F1586 HydrophobicContact CH2-CE1 3.31Å; W1555-F1586 HydrophobicContact CH2-CZ 4.05Å; W1555-F1586 AromaticContact CZ2-CE1 3.93Å; W1555-F1586 HydrophobicContact CZ2-CE1 3.93Å; W1555-F1586 HydrophobicContact CZ3-CD1 4.29Å; W1555-F1586 AromaticContact CZ3-CE1 3.98Å; W1555-F1586 HydrophobicContact CZ3-CE1 3.98Å; W1555-W1611 AromaticContact CH2-CZ3 3.97Å; W1555-W1611 HydrophobicContact CH2-CZ3 3.97Å; W1555-W1611 HydrophobicContact CZ3-CZ3 4.36Å; W1555-L1614 HydrophobicContact CZ3-CD2 4.12Å |
| 1556 | S | 95.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.014 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 112.9 | -178.5 | -174.8 | 0 | 0 | 0 | 0 | 111.5 | H1558 I1578 P1580 | S1556-H1558 VanDerWaalsContact C-N 3.27Å; S1556-H1558 WeakPolarHBondContact OG-CB 3.27Å; S1556-H1558 PolarHBondContact OG-N 3.41Å; S1556-H1558 PolarHBondContact OG-O 3.43Å; S1556-I1578 PolarHBondContact N-O 2.83Å; S1556-P1580 WeakPolarHBondContact O-CD 3.11Å |
| 1557 | E | 93 | Very high | 89.8 | Confident | 62 Ų | 62 | 32 Ų | 32 | 29% | 0.29 | 15% | 0.148 | S | C | . | . | trans | -90.8 | 1.7 | 163.8 | -71.2 | 173.3 | -164.5 | 0 | 0 | 111.7 | Y1466 V1467 S1484 W1555 P1580 | Y1466-E1557 PolarHBondContact OH-OE2 3.04Å; V1467-E1557 PolarHBondContact O-N 2.95Å; S1484-E1557 WeakPolarHBondContact CB-OE1 3.29Å; S1484-E1557 PolarHBondContact OG-OE1 3.45Å; W1555-E1557 PolarHBondContact NE1-OE1 2.91Å; E1557-P1580 HydrophobicContact CG-CG 4.16Å | ||
| 1558 | H | 88.6 | Confident | 89.6 | Confident | 13 Ų | 13 | 35.7 Ų | 35.7 | 6% | 0.06 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -73 | 140.5 | 169.9 | -167.4 | 46.3 | 0 | 0 | 0 | 110.2 | V1467 G1470 E1472 S1556 R1560 | V1467-H1558 HydrophobicContact CG1-CB 4.09Å; G1470-H1558 PolarHBondContact N-ND1 3.43Å; E1472-H1558 VanDerWaalsContact CG-NE2 3.3Å; E1472-H1558 WeakPolarHBondContact CG-NE2 3.39Å; E1472-H1558 IonicContact OE1-CE1 3.55Å; E1472-H1558 IonicContact OE1-NE2 2.73Å; E1472-H1558 PolarHBondContact OE1-NE2 3.4Å; S1556-H1558 VanDerWaalsContact C-N 3.27Å; S1556-H1558 WeakPolarHBondContact OG-CB 3.27Å; S1556-H1558 PolarHBondContact OG-N 3.41Å; S1556-H1558 PolarHBondContact OG-O 3.43Å; H1558-R1560 VanDerWaalsContact C-N 3.26Å; H1558-R1560 PolarHBondContact O-N 2.83Å |
| 1559 | W | 73 | Confident | 89.5 | Confident | 113 Ų | 113 | 34.1 Ų | 34.1 | 43% | 0.428 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -76 | -12 | -175.2 | 57.9 | -93.1 | 0 | 0 | 0 | 113.4 | ||
| 1560 | R | 78 | Confident | 89 | Confident | 40 Ų | 40 | 42.9 Ų | 42.9 | 15% | 0.151 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -96.4 | 151.6 | 170.3 | -68.3 | -170.2 | 170.4 | 144.9 | -3 | 110.7 | N868 Q870 E1472 H1558 Y1562 | N868-R1560 PolarHBondContact O-NH2 3.03Å; Q870-R1560 PolarHBondContact O-NH2 3.33Å; E1472-R1560 WeakPolarHBondContact OE1-CD 3.15Å; E1472-R1560 IonicContact OE1-CZ 2.86Å; E1472-R1560 IonicContact OE1-NE 3.69Å; E1472-R1560 IonicContact OE1-NH1 3.01Å; E1472-R1560 PolarHBondContact OE1-NH1 2.61Å; E1472-R1560 IonicContact OE2-NH1 3.76Å; E1472-R1560 PolarHBondContact OE2-NH1 3.24Å; H1558-R1560 VanDerWaalsContact C-N 3.26Å; H1558-R1560 PolarHBondContact O-N 2.83Å; R1560-Y1562 PolarHBondContact O-N 3.44Å |
| 1561 | D | 82.6 | Confident | 88.7 | Confident | 57 Ų | 57 | 46.4 Ų | 46.4 | 31% | 0.305 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -60 | 131.8 | 170.2 | -61.9 | -20.7 | 0 | 0 | 0 | 110.3 | Y1579 R1587 | D1561-Y1579 WeakPolarHBondContact CA-OH 3.44Å; D1561-R1587 IonicContact OD1-CZ 3.59Å; D1561-R1587 IonicContact OD1-NH1 2.72Å; D1561-R1587 IonicContact OD1-NH2 2.66Å; D1561-R1587 PolarHBondContact OD1-NH2 2.96Å |
| 1562 | Y | 89.1 | Confident | 88.5 | Confident | 11 Ų | 11 | 46.6 Ų | 46.6 | 4% | 0.043 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -66.3 | 136.4 | 174.9 | -178.3 | -91.5 | 0 | 0 | 0 | 109.8 | V1467 I1477 V1554 R1560 I1566 I1567 L1575 V1577 Y1579 | V1467-Y1562 HydrophobicContact CG2-CD2 3.94Å; V1467-Y1562 HydrophobicContact CG2-CE2 3.94Å; I1477-Y1562 HydrophobicContact CD1-CE2 4.26Å; V1554-Y1562 HydrophobicContact CB-CD1 4.46Å; V1554-Y1562 HydrophobicContact CG1-CD1 4.22Å; V1554-Y1562 HydrophobicContact CG1-CD2 3.79Å; V1554-Y1562 HydrophobicContact CG1-CE1 4.47Å; V1554-Y1562 HydrophobicContact CG1-CE2 4.05Å; V1554-Y1562 HydrophobicContact CG1-CG 3.88Å; V1554-Y1562 HydrophobicContact CG2-CD1 4.14Å; V1554-Y1562 HydrophobicContact CG2-CE1 3.86Å; R1560-Y1562 PolarHBondContact O-N 3.44Å; Y1562-I1566 HydrophobicContact CD2-CD1 3.85Å; Y1562-I1566 HydrophobicContact CE2-CB 4.11Å; Y1562-I1566 HydrophobicContact CE2-CD1 4.01Å; Y1562-I1566 HydrophobicContact CE2-CG2 4.18Å; Y1562-I1566 HydrophobicContact CG-CD1 4.42Å; Y1562-I1567 WeakPolarHBondContact OH-CB 3.43Å; Y1562-I1567 WeakPolarHBondContact OH-CG1 3.39Å; Y1562-L1575 HydrophobicContact CD1-CD1 4.31Å; Y1562-L1575 HydrophobicContact CD1-CD2 4.04Å; Y1562-L1575 HydrophobicContact CE1-CD1 4.08Å; Y1562-L1575 HydrophobicContact CE1-CD2 4.14Å; Y1562-V1577 HydrophobicContact CD1-CG2 4.16Å; Y1562-Y1579 PolarHBondContact N-OH 2.77Å |
| 1563 | R | 85.4 | Confident | 88.3 | Confident | 80 Ų | 80 | 47.8 Ų | 47.8 | 30% | 0.302 | 23% | 0.227 | S | C | . | . | trans | -112.1 | 137.1 | -178.2 | -63.2 | 176.6 | -69.7 | 165.7 | 0.1 | 110.2 | L611 S1565 I1566 | L611-R1563 PolarHBondContact O-NH1 3Å; R1563-S1565 PolarHBondContact O-N 3.33Å; R1563-I1566 HydrophobicContact CB-CD1 4.28Å; R1563-I1566 HydrophobicContact CB-CG1 4.21Å; R1563-I1566 WeakPolarHBondContact O-CB 3.31Å; R1563-I1566 WeakPolarHBondContact O-CG1 3.02Å; R1563-I1566 PolarHBondContact O-N 2.89Å | ||
| 1564 | R | 86.8 | Confident | 88.1 | Confident | 101 Ų | 101 | 47.8 Ų | 47.8 | 38% | 0.381 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -28.2 | 176.2 | -164.8 | 173.7 | -169.1 | -175.2 | 0 | 113.2 | I1566 I1567 C1572 L1575 | R1564-I1566 VanDerWaalsContact C-N 3.28Å; R1564-I1566 PolarHBondContact O-N 2.67Å; R1564-I1567 CarbonylContact O-C 3.56Å; R1564-C1572 PolarHBondContact NH2-O 2.85Å; R1564-L1575 HydrophobicContact CB-CD2 4.35Å |
| 1565 | S | 82 | Confident | 88.1 | Confident | 67 Ų | 67 | 48 Ų | 48 | 47% | 0.469 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -13 | 177.5 | 60.4 | 0 | 0 | 0 | 0 | 115.3 | R1563 | R1563-S1565 PolarHBondContact O-N 3.33Š|
| 1566 | I | 87.1 | Confident | 88.1 | Confident | 15 Ų | 15 | 48 Ų | 48 | 8% | 0.077 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -48.2 | 178.7 | -62.6 | 171.7 | 0 | 0 | 0 | 110.2 | K1474 I1477 Y1562 R1563 R1564 P1568 | K1474-I1566 WeakPolarHBondContact CB-O 2.77Å; I1477-I1566 HydrophobicContact CD1-CG2 3.51Å; Y1562-I1566 HydrophobicContact CD2-CD1 3.85Å; Y1562-I1566 HydrophobicContact CE2-CB 4.11Å; Y1562-I1566 HydrophobicContact CE2-CD1 4.01Å; Y1562-I1566 HydrophobicContact CE2-CG2 4.18Å; Y1562-I1566 HydrophobicContact CG-CD1 4.42Å; R1563-I1566 HydrophobicContact CB-CD1 4.28Å; R1563-I1566 HydrophobicContact CB-CG1 4.21Å; R1563-I1566 WeakPolarHBondContact O-CB 3.31Å; R1563-I1566 WeakPolarHBondContact O-CG1 3.02Å; R1563-I1566 PolarHBondContact O-N 2.89Å; R1564-I1566 VanDerWaalsContact C-N 3.28Å; R1564-I1566 PolarHBondContact O-N 2.67Å; I1566-P1568 WeakPolarHBondContact O-CD 3.19Å |
| 1567 | I | 88.7 | Confident | 88.2 | Confident | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -117.4 | 82.1 | 172 | -55.8 | 178.9 | 0 | 0 | 0 | 107.6 | I1465 K1474 I1477 L1478 L1543 Y1562 R1564 T1569 | I1465-I1567 HydrophobicContact CD1-CD1 4.08Å; I1465-I1567 HydrophobicContact CG2-CD1 4.18Å; K1474-I1567 HydrophobicContact CG-CG1 4.34Å; I1477-I1567 HydrophobicContact CG2-CD1 4.03Å; L1478-I1567 HydrophobicContact CD2-CD1 4.21Å; L1478-I1567 HydrophobicContact CG-CD1 4.43Å; L1543-I1567 HydrophobicContact CD1-CG2 3.78Å; Y1562-I1567 WeakPolarHBondContact OH-CB 3.43Å; Y1562-I1567 WeakPolarHBondContact OH-CG1 3.39Å; R1564-I1567 CarbonylContact O-C 3.56Å; I1567-T1569 PolarHBondContact O-N 2.78Å |
| 1568 | P | 84.8 | Confident | 88.4 | Confident | 78 Ų | 78 | 45 Ų | 45 | 51% | 0.506 | 21% | 0.214 | S | C | . | . | trans | -68.9 | 128.7 | -178.8 | 28.4 | -33 | 0 | 0 | 0 | 109.6 | I1566 | I1566-P1568 WeakPolarHBondContact O-CD 3.19Š| ||
| 1569 | T | 88 | Confident | 88.6 | Confident | 32 Ų | 32 | 44.9 Ų | 44.9 | 20% | 0.196 | 21% | 0.213 | C | C | . | . | trans | -150 | 143.4 | 171.3 | 175.5 | 0 | 0 | 0 | 0 | 108.8 | G1547 I1567 F1571 C1572 | G1547-T1569 WeakPolarHBondContact O-CB 3.37Å; G1547-T1569 PolarHBondContact O-OG1 2.79Å; I1567-T1569 PolarHBondContact O-N 2.78Å; T1569-F1571 VanDerWaalsContact C-N 3.26Å; T1569-F1571 WeakPolarHBondContact OG1-CD2 3.45Å; T1569-F1571 PolarHBondContact OG1-N 2.9Å; T1569-F1571 VanDerWaalsContact OG1-N 3.13Å; T1569-C1572 HydrophobicContact CG2-CB 3.37Å | ||
| 1570 | E | 83.6 | Confident | 89.4 | Confident | 185 Ų | 185 | 42 Ų | 42 | 86% | 0.864 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -80 | -11.9 | 174.7 | -64.2 | 176.4 | 176.3 | 0 | 0 | 112 | ||
| 1571 | F | 88.4 | Confident | 89.7 | Confident | 111 Ų | 111 | 41.8 Ų | 41.8 | 49% | 0.487 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -95.4 | -20.1 | -175 | -54.7 | -75 | 0 | 0 | 0 | 114.3 | G1547 N1548 E1550 T1569 D1573 | G1547-F1571 WeakPolarHBondContact O-CB 3.48Å; G1547-F1571 WeakPolarHBondContact O-CD2 3.14Å; N1548-F1571 WeakPolarHBondContact OD1-CD2 3.28Å; N1548-F1571 WeakPolarHBondContact OD1-CE2 3.33Å; E1550-F1571 VanDerWaalsContact CA-O 3.32Å; E1550-F1571 WeakPolarHBondContact CA-O 3.3Å; T1569-F1571 VanDerWaalsContact C-N 3.26Å; T1569-F1571 WeakPolarHBondContact OG1-CD2 3.45Å; T1569-F1571 PolarHBondContact OG1-N 2.9Å; T1569-F1571 VanDerWaalsContact OG1-N 3.13Å; F1571-D1573 PolarHBondContact O-N 3.46Å; F1571-D1573 VanDerWaalsContact O-N 3.09Å |
| 1572 | C | 92.2 | Very high | 89.4 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 3% | 0.027 | 22% | 0.223 | C | C | . | . | trans | -78.1 | 97.3 | 177.9 | 175.8 | 0 | 0 | 0 | 0 | 108.4 | R1564 T1569 | R1564-C1572 PolarHBondContact NH2-O 2.85Å; T1569-C1572 HydrophobicContact CG2-CB 3.37Å | ||
| 1573 | D | 93.3 | Very high | 88.8 | Confident | 29 Ų | 29 | 47.2 Ų | 47.2 | 16% | 0.155 | 25% | 0.25 | C | C | . | . | trans | -82 | -32.7 | 178.9 | -66.6 | -63.4 | 0 | 0 | 0 | 112.3 | E1550 F1571 I1597 K1629 | E1550-D1573 PolarHBondContact O-N 3.21Å; F1571-D1573 PolarHBondContact O-N 3.46Å; F1571-D1573 VanDerWaalsContact O-N 3.09Å; D1573-I1597 HydrophobicContact CB-CD1 4.17Å; D1573-K1629 HydrophobicContact CB-CD 3.78Å; D1573-K1629 HydrophobicContact CB-CG 3.96Å; D1573-K1629 VanDerWaalsContact CG-CD 3.47Å; D1573-K1629 VanDerWaalsContact CG-NZ 3.29Å; D1573-K1629 VanDerWaalsContact OD1-CE 3.26Å; D1573-K1629 WeakPolarHBondContact OD1-CE 3.45Å; D1573-K1629 IonicContact OD1-NZ 3.88Å; D1573-K1629 PolarHBondContact OD1-NZ 3.02Å; D1573-K1629 WeakPolarHBondContact OD2-CD 3.32Å; D1573-K1629 WeakPolarHBondContact OD2-CE 3.24Å; D1573-K1629 WeakPolarHBondContact OD2-CG 3.16Å; D1573-K1629 IonicContact OD2-NZ 2.77Å | ||
| 1574 | V | 95.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 125.8 | -179.2 | -178.8 | 0 | 0 | 0 | 0 | 111.1 | E1550 V1551 H1552 I1576 I1597 F1600 A1625 | E1550-V1574 PolarHBondContact O-N 3.26Å; V1551-V1574 WeakPolarHBondContact CA-O 3.17Å; V1551-V1574 HydrophobicContact CG1-CB 4.41Å; V1551-V1574 HydrophobicContact CG1-CG1 4.46Å; V1551-V1574 HydrophobicContact CG2-CB 4.28Å; H1552-V1574 PolarHBondContact N-O 2.85Å; V1574-I1576 HydrophobicContact CG1-CG1 4.27Å; V1574-I1597 HydrophobicContact CG2-CD1 3.56Å; V1574-F1600 HydrophobicContact CB-CZ 4.45Å; V1574-F1600 HydrophobicContact CG1-CE2 3.94Å; V1574-F1600 HydrophobicContact CG1-CZ 3.55Å; V1574-F1600 HydrophobicContact CG2-CE1 4.26Å; V1574-F1600 HydrophobicContact CG2-CZ 4.01Å; V1574-A1625 HydrophobicContact CB-CB 4.23Å; V1574-A1625 HydrophobicContact CG1-CB 3.97Å; V1574-A1625 HydrophobicContact CG2-CB 4.08Å |
| 1575 | L | 96.4 | Very high | 88.9 | Confident | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 117.1 | 179.4 | 175.3 | 66 | 0 | 0 | 0 | 110.2 | H1552 V1554 Y1562 R1564 V1577 V1590 D1591 | H1552-L1575 HydrophobicContact CB-CD1 4.01Å; V1554-L1575 HydrophobicContact CB-CD1 4.45Å; V1554-L1575 HydrophobicContact CG2-CD1 3.55Å; Y1562-L1575 HydrophobicContact CD1-CD1 4.31Å; Y1562-L1575 HydrophobicContact CD1-CD2 4.04Å; Y1562-L1575 HydrophobicContact CE1-CD1 4.08Å; Y1562-L1575 HydrophobicContact CE1-CD2 4.14Å; R1564-L1575 HydrophobicContact CB-CD2 4.35Å; L1575-V1577 HydrophobicContact CD1-CG2 4.1Å; L1575-V1577 HydrophobicContact CD2-CG2 4.16Å; L1575-V1577 HydrophobicContact CG-CG2 3.85Å; L1575-V1590 WeakPolarHBondContact O-CA 3.32Å; L1575-D1591 HydrophobicContact CB-CB 4.22Å; L1575-D1591 HydrophobicContact CD2-CB 4.44Å; L1575-D1591 PolarHBondContact N-O 3.38Å; L1575-D1591 PolarHBondContact O-N 2.98Å |
| 1576 | I | 97.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 111.8 | 175.2 | -57.4 | 174.6 | 0 | 0 | 0 | 108 | V1551 H1552 I1553 V1554 V1574 I1588 Q1589 V1590 T1621 A1622 | V1551-I1576 HydrophobicContact CG1-CD1 4.33Å; H1552-I1576 PolarHBondContact O-N 3.46Å; I1553-I1576 CarbonylContact C-O 3.59Å; I1553-I1576 VanDerWaalsContact CA-O 3.27Å; I1553-I1576 WeakPolarHBondContact CA-O 3.32Å; I1553-I1576 HydrophobicContact CG1-CB 4.46Å; V1554-I1576 PolarHBondContact N-O 2.85Å; V1574-I1576 HydrophobicContact CG1-CG1 4.27Å; I1576-I1588 HydrophobicContact CG2-CG2 3.8Å; I1576-Q1589 CarbonylContact C-O 3.54Å; I1576-Q1589 WeakPolarHBondContact CA-O 3.23Å; I1576-V1590 HydrophobicContact CG1-CG1 4.45Å; I1576-T1621 HydrophobicContact CD1-CG2 4.04Å; I1576-A1622 HydrophobicContact CD1-CB 4.12Å |
| 1577 | V | 97.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 133.4 | 178.2 | -164 | 0 | 0 | 0 | 0 | 110.7 | V1554 Y1562 L1575 Y1579 I1588 Q1589 | V1554-V1577 HydrophobicContact CB-CB 4.45Å; V1554-V1577 HydrophobicContact CB-CG1 4.05Å; V1554-V1577 HydrophobicContact CB-CG2 4.25Å; V1554-V1577 HydrophobicContact CG1-CG1 4.11Å; V1554-V1577 CarbonylContact O-C 3.5Å; V1554-V1577 VanDerWaalsContact O-CA 3.27Å; V1554-V1577 WeakPolarHBondContact O-CA 3.42Å; Y1562-V1577 HydrophobicContact CD1-CG2 4.16Å; L1575-V1577 HydrophobicContact CD1-CG2 4.1Å; L1575-V1577 HydrophobicContact CD2-CG2 4.16Å; L1575-V1577 HydrophobicContact CG-CG2 3.85Å; V1577-Y1579 HydrophobicContact CB-CE2 3.83Å; V1577-Y1579 HydrophobicContact CG1-CD2 4.31Å; V1577-Y1579 HydrophobicContact CG1-CE1 3.9Å; V1577-Y1579 HydrophobicContact CG1-CE2 3.6Å; V1577-Y1579 WeakPolarHBondContact CG1-OH 3.39Å; V1577-I1588 CarbonylContact O-C 3.56Å; V1577-I1588 WeakPolarHBondContact O-CA 3.15Å; V1577-Q1589 HydrophobicContact CB-CB 4.18Å; V1577-Q1589 PolarHBondContact N-O 3.43Å; V1577-Q1589 PolarHBondContact O-N 3.15Å |
| 1578 | I | 97.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 122.6 | -178.6 | -52.7 | 174.4 | 0 | 0 | 0 | 108.1 | F1490 I1553 V1554 W1555 S1556 F1586 I1588 L1614 V1618 | F1490-I1578 HydrophobicContact CE1-CD1 3.9Å; F1490-I1578 HydrophobicContact CE2-CD1 3.8Å; F1490-I1578 HydrophobicContact CZ-CD1 3.38Å; I1553-I1578 HydrophobicContact CG2-CD1 3.79Å; I1553-I1578 HydrophobicContact CG2-CG1 4.43Å; V1554-I1578 PolarHBondContact O-N 3.33Å; W1555-I1578 HydrophobicContact CE3-CB 4.25Å; W1555-I1578 HydrophobicContact CE3-CD1 4.38Å; W1555-I1578 HydrophobicContact CE3-CG2 3.93Å; W1555-I1578 HydrophobicContact CZ3-CG2 4.07Å; S1556-I1578 PolarHBondContact N-O 2.83Å; I1578-F1586 HydrophobicContact CG2-CB 4.19Å; I1578-F1586 HydrophobicContact CG2-CD1 3.89Å; I1578-F1586 HydrophobicContact CG2-CG 4.4Å; I1578-I1588 HydrophobicContact CB-CD1 4.32Å; I1578-I1588 HydrophobicContact CG1-CD1 3.92Å; I1578-I1588 HydrophobicContact CG2-CD1 4.01Å; I1578-L1614 HydrophobicContact CD1-CD1 4.46Å; I1578-L1614 HydrophobicContact CG2-CD1 4.24Å; I1578-L1614 HydrophobicContact CG2-CD2 4.46Å; I1578-V1618 HydrophobicContact CD1-CG1 4.34Å; I1578-V1618 HydrophobicContact CD1-CG2 3.92Å |
| 1579 | Y | 92.9 | Very high | 90.2 | Very high | 12 Ų | 12 | 36.6 Ų | 36.6 | 5% | 0.047 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 117.5 | 175.8 | -56 | -86.3 | 0 | 0 | 0 | 109.9 | D1561 Y1562 V1577 L1581 F1586 R1587 Q1589 | D1561-Y1579 WeakPolarHBondContact CA-OH 3.44Å; Y1562-Y1579 PolarHBondContact N-OH 2.77Å; V1577-Y1579 HydrophobicContact CB-CE2 3.83Å; V1577-Y1579 HydrophobicContact CG1-CD2 4.31Å; V1577-Y1579 HydrophobicContact CG1-CE1 3.9Å; V1577-Y1579 HydrophobicContact CG1-CE2 3.6Å; V1577-Y1579 WeakPolarHBondContact CG1-OH 3.39Å; Y1579-L1581 PolarHBondContact O-N 3.42Å; Y1579-F1586 WeakPolarHBondContact O-CA 3.48Å; Y1579-R1587 VanDerWaalsContact CE2-NH2 3.3Å; Y1579-R1587 PolarHBondContact N-O 3.42Å; Y1579-R1587 PolarHBondContact O-N 2.84Å; Y1579-Q1589 HydrophobicContact CE2-CB 3.91Å; Y1579-Q1589 PolarHBondContact OH-OE1 3.35Å |
| 1580 | P | 91.1 | Very high | 90.5 | Very high | 51 Ų | 51 | 35.6 Ų | 35.6 | 33% | 0.331 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 132.3 | 172.6 | -21.4 | 34 | 0 | 0 | 0 | 111.7 | W1555 S1556 E1557 F1586 | W1555-P1580 HydrophobicContact CH2-CG 4.36Å; W1555-P1580 HydrophobicContact CZ2-CG 3.6Å; S1556-P1580 WeakPolarHBondContact O-CD 3.11Å; E1557-P1580 HydrophobicContact CG-CG 4.16Å; P1580-F1586 HydrophobicContact CB-CD1 4.12Å; P1580-F1586 HydrophobicContact CB-CE1 3.79Å; P1580-F1586 HydrophobicContact CG-CD1 4.27Å; P1580-F1586 HydrophobicContact CG-CE1 4Å |
| 1581 | L | 84.6 | Confident | 90.9 | Very high | 37 Ų | 37 | 29.5 Ų | 29.5 | 19% | 0.194 | 16% | 0.162 | C | C | . | . | trans | -112.9 | -177.3 | 172.5 | -56.9 | 175.3 | 0 | 0 | 0 | 110.1 | L959 Y1579 L1585 R1587 I1608 | L959-L1581 HydrophobicContact CB-CD1 4.12Å; L959-L1581 HydrophobicContact CD2-CD1 4.3Å; Y1579-L1581 PolarHBondContact O-N 3.42Å; L1581-L1585 WeakPolarHBondContact CA-O 3.47Å; L1581-L1585 HydrophobicContact CB-CB 4.09Å; L1581-L1585 WeakPolarHBondContact CB-O 3.47Å; L1581-L1585 HydrophobicContact CD1-CB 4.37Å; L1581-L1585 PolarHBondContact N-O 2.8Å; L1581-R1587 HydrophobicContact CD1-CB 4.07Å; L1581-R1587 HydrophobicContact CG-CB 4.39Å; L1581-I1608 HydrophobicContact CD1-CG2 4.44Å | ||
| 1582 | A | 75.5 | Confident | 91.1 | Very high | 67 Ų | 67 | 26.8 Ų | 26.8 | 55% | 0.554 | 15% | 0.149 | S | C | * | . | S | Bend | trans | -68.9 | 164 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1584 L1585 | A1582-D1584 VanDerWaalsContact C-N 3.34Å; A1582-D1584 PolarHBondContact O-N 3.46Å; A1582-L1585 WeakPolarHBondContact O-CB 3.31Å; A1582-L1585 PolarHBondContact O-N 3.33Å |
| 1583 | D | 75.6 | Confident | 90.8 | Very high | 115 Ų | 115 | 29.6 Ų | 29.6 | 62% | 0.615 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 38.9 | 172.5 | -61.6 | -25.3 | 0 | 0 | 0 | 115.3 | L1585 | D1583-L1585 PolarHBondContact O-N 3.1Š|
| 1584 | D | 85.9 | Confident | 90.3 | Very high | 64 Ų | 64 | 34.1 Ų | 34.1 | 34% | 0.342 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 23.6 | 179.8 | -67.9 | -32.3 | 0 | 0 | 0 | 114.4 | R1486 A1582 F1586 H1610 W1611 | R1486-D1584 IonicContact CZ-OD1 3.01Å; R1486-D1584 IonicContact NH1-OD1 3.71Å; R1486-D1584 PolarHBondContact NH1-OD1 3.46Å; R1486-D1584 IonicContact NH2-OD1 3.85Å; R1486-D1584 PolarHBondContact NH2-OD1 3.17Å; A1582-D1584 VanDerWaalsContact C-N 3.34Å; A1582-D1584 PolarHBondContact O-N 3.46Å; D1584-F1586 WeakPolarHBondContact O-CD2 3.32Å; D1584-F1586 WeakPolarHBondContact O-CE2 3.28Å; D1584-H1610 PolarHBondContact O-CD2 3.01Å; D1584-W1611 HydrophobicContact CB-CB 4.01Å; D1584-W1611 PolarHBondContact O-N 2.86Å |
| 1585 | L | 88.3 | Confident | 89.6 | Confident | 6 Ų | 6 | 39.8 Ų | 39.8 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 152.9 | 173.1 | -69.1 | 172.2 | 0 | 0 | 0 | 111.8 | L959 L1004 H1007 L1581 A1582 D1583 I1608 V1609 H1610 | L959-L1585 HydrophobicContact CD2-CB 4.48Å; L959-L1585 HydrophobicContact CD2-CD1 3.4Å; L1004-L1585 HydrophobicContact CD2-CD1 3.52Å; H1007-L1585 WeakPolarHBondContact NE2-CD2 3.44Å; L1581-L1585 WeakPolarHBondContact CA-O 3.47Å; L1581-L1585 HydrophobicContact CB-CB 4.09Å; L1581-L1585 WeakPolarHBondContact CB-O 3.47Å; L1581-L1585 HydrophobicContact CD1-CB 4.37Å; L1581-L1585 PolarHBondContact N-O 2.8Å; A1582-L1585 WeakPolarHBondContact O-CB 3.31Å; A1582-L1585 PolarHBondContact O-N 3.33Å; D1583-L1585 PolarHBondContact O-N 3.1Å; L1585-I1608 HydrophobicContact CB-CG2 4.2Å; L1585-I1608 HydrophobicContact CD1-CG2 4.43Å; L1585-I1608 HydrophobicContact CD2-CG2 3.91Å; L1585-I1608 HydrophobicContact CG-CG2 4.42Å; L1585-V1609 CarbonylContact C-O 3.56Å; L1585-H1610 HydrophobicContact CD2-CB 4.38Å |
| 1586 | F | 91.5 | Very high | 88.8 | Confident | 5 Ų | 5 | 44.4 Ų | 44.4 | 2% | 0.022 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 132.5 | -179.2 | -63 | -94.5 | 0 | 0 | 0 | 109.4 | W1555 I1578 Y1579 P1580 D1584 I1608 V1609 W1611 L1614 | W1555-F1586 HydrophobicContact CH2-CD1 4.03Å; W1555-F1586 AromaticContact CH2-CE1 3.31Å; W1555-F1586 HydrophobicContact CH2-CE1 3.31Å; W1555-F1586 HydrophobicContact CH2-CZ 4.05Å; W1555-F1586 AromaticContact CZ2-CE1 3.93Å; W1555-F1586 HydrophobicContact CZ2-CE1 3.93Å; W1555-F1586 HydrophobicContact CZ3-CD1 4.29Å; W1555-F1586 AromaticContact CZ3-CE1 3.98Å; W1555-F1586 HydrophobicContact CZ3-CE1 3.98Å; I1578-F1586 HydrophobicContact CG2-CB 4.19Å; I1578-F1586 HydrophobicContact CG2-CD1 3.89Å; I1578-F1586 HydrophobicContact CG2-CG 4.4Å; Y1579-F1586 WeakPolarHBondContact O-CA 3.48Å; P1580-F1586 HydrophobicContact CB-CD1 4.12Å; P1580-F1586 HydrophobicContact CB-CE1 3.79Å; P1580-F1586 HydrophobicContact CG-CD1 4.27Å; P1580-F1586 HydrophobicContact CG-CE1 4Å; D1584-F1586 WeakPolarHBondContact O-CD2 3.32Å; D1584-F1586 WeakPolarHBondContact O-CE2 3.28Å; F1586-I1608 WeakPolarHBondContact O-CA 3.4Å; F1586-V1609 HydrophobicContact CB-CG2 4.18Å; F1586-V1609 PolarHBondContact N-O 3.38Å; F1586-V1609 PolarHBondContact O-N 3.19Å; F1586-W1611 HydrophobicContact CD2-CE3 4.36Å; F1586-W1611 HydrophobicContact CE1-CE3 4.36Å; F1586-W1611 HydrophobicContact CE1-CZ3 4.36Å; F1586-W1611 HydrophobicContact CE2-CB 4.07Å; F1586-W1611 HydrophobicContact CE2-CD2 4.3Å; F1586-W1611 AromaticContact CE2-CE3 3.42Å; F1586-W1611 HydrophobicContact CE2-CE3 3.42Å; F1586-W1611 VanDerWaalsContact CE2-CE3 3.42Å; F1586-W1611 HydrophobicContact CE2-CZ3 4.2Å; F1586-W1611 HydrophobicContact CZ-CD2 4.49Å; F1586-W1611 AromaticContact CZ-CE3 3.41Å; F1586-W1611 HydrophobicContact CZ-CE3 3.41Å; F1586-W1611 VanDerWaalsContact CZ-CE3 3.41Å; F1586-W1611 AromaticContact CZ-CZ3 3.75Å; F1586-W1611 HydrophobicContact CZ-CZ3 3.75Å; F1586-L1614 HydrophobicContact CB-CD1 4.22Å; F1586-L1614 HydrophobicContact CB-CD2 4.36Å; F1586-L1614 HydrophobicContact CD1-CD2 3.94Å; F1586-L1614 HydrophobicContact CD2-CD2 3.82Å; F1586-L1614 HydrophobicContact CE1-CD2 4.24Å; F1586-L1614 HydrophobicContact CE2-CD2 4.15Å; F1586-L1614 HydrophobicContact CG-CD1 4.48Å; F1586-L1614 HydrophobicContact CG-CD2 3.74Å; F1586-L1614 HydrophobicContact CZ-CD2 4.34Å |
| 1587 | R | 91.6 | Very high | 88.1 | Confident | 12 Ų | 12 | 44.6 Ų | 44.6 | 5% | 0.045 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 133.7 | 169.1 | 178.8 | -176.9 | 67.2 | 142.4 | -1.8 | 109.4 | V956 R957 D1561 Y1579 L1581 D1606 | V956-R1587 HydrophobicContact CG1-CG 4.49Å; V956-R1587 WeakPolarHBondContact O-CD 3.49Å; R957-R1587 VanDerWaalsContact CG-NH1 3.33Å; D1561-R1587 IonicContact OD1-CZ 3.59Å; D1561-R1587 IonicContact OD1-NH1 2.72Å; D1561-R1587 IonicContact OD1-NH2 2.66Å; D1561-R1587 PolarHBondContact OD1-NH2 2.96Å; Y1579-R1587 VanDerWaalsContact CE2-NH2 3.3Å; Y1579-R1587 PolarHBondContact N-O 3.42Å; Y1579-R1587 PolarHBondContact O-N 2.84Å; L1581-R1587 HydrophobicContact CD1-CB 4.07Å; L1581-R1587 HydrophobicContact CG-CB 4.39Å; R1587-D1606 IonicContact NH1-OD1 3.52Å |
| 1588 | I | 94 | Very high | 87.5 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 126 | 176.5 | -48.1 | -60 | 0 | 0 | 0 | 108.7 | I1576 V1577 I1578 V1590 L1603 D1606 A1607 V1609 L1614 V1618 | I1576-I1588 HydrophobicContact CG2-CG2 3.8Å; V1577-I1588 CarbonylContact O-C 3.56Å; V1577-I1588 WeakPolarHBondContact O-CA 3.15Å; I1578-I1588 HydrophobicContact CB-CD1 4.32Å; I1578-I1588 HydrophobicContact CG1-CD1 3.92Å; I1578-I1588 HydrophobicContact CG2-CD1 4.01Å; I1588-V1590 HydrophobicContact CG2-CG2 3.95Å; I1588-L1603 HydrophobicContact CG1-CD1 4.24Å; I1588-L1603 HydrophobicContact CG1-CD2 4.48Å; I1588-L1603 HydrophobicContact CG2-CB 4.49Å; I1588-L1603 HydrophobicContact CG2-CD1 4.23Å; I1588-D1606 WeakPolarHBondContact O-CA 3.23Å; I1588-D1606 PolarHBondContact O-N 3.31Å; I1588-A1607 HydrophobicContact CB-CB 4.45Å; I1588-A1607 PolarHBondContact N-O 3.26Å; I1588-A1607 PolarHBondContact O-N 3.17Å; I1588-V1609 HydrophobicContact CD1-CG2 3.85Å; I1588-V1609 HydrophobicContact CG1-CG2 3.79Å; I1588-L1614 HydrophobicContact CD1-CD1 3.67Å; I1588-V1618 HydrophobicContact CD1-CG2 4.45Å |
| 1589 | Q | 93.1 | Very high | 87 | Confident | 35 Ų | 35 | 51.5 Ų | 51.5 | 16% | 0.164 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 135.1 | 168.6 | -179.3 | -172.1 | -14.3 | 0 | 0 | 108.1 | I1576 V1577 Y1579 N1605 | I1576-Q1589 CarbonylContact C-O 3.54Å; I1576-Q1589 WeakPolarHBondContact CA-O 3.23Å; V1577-Q1589 HydrophobicContact CB-CB 4.18Å; V1577-Q1589 PolarHBondContact N-O 3.43Å; V1577-Q1589 PolarHBondContact O-N 3.15Å; Y1579-Q1589 HydrophobicContact CE2-CB 3.91Å; Y1579-Q1589 PolarHBondContact OH-OE1 3.35Å; Q1589-N1605 VanDerWaalsContact CA-OD1 3.32Å; Q1589-N1605 WeakPolarHBondContact CA-OD1 3.18Å; Q1589-N1605 WeakPolarHBondContact CG-OD1 3.35Å |
| 1590 | V | 94.2 | Very high | 86.9 | Confident | 11 Ų | 11 | 51 Ų | 51 | 7% | 0.067 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 119.1 | -179.8 | -172.4 | 0 | 0 | 0 | 0 | 108.1 | L1575 I1576 I1588 Y1592 F1600 N1605 | L1575-V1590 WeakPolarHBondContact O-CA 3.32Å; I1576-V1590 HydrophobicContact CG1-CG1 4.45Å; I1588-V1590 HydrophobicContact CG2-CG2 3.95Å; V1590-Y1592 HydrophobicContact CG1-CD1 3.96Å; V1590-Y1592 HydrophobicContact CG1-CE1 4.26Å; V1590-F1600 HydrophobicContact CG1-CE2 4.18Å; V1590-F1600 HydrophobicContact CG1-CZ 4.18Å; V1590-N1605 HydrophobicContact CB-CB 4.49Å; V1590-N1605 PolarHBondContact N-OD1 3.12Å |
| 1591 | D | 92.4 | Very high | 86.7 | Confident | 57 Ų | 57 | 48.7 Ų | 48.7 | 31% | 0.305 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 123.7 | -177.2 | 176.6 | 20.8 | 0 | 0 | 0 | 109.2 | L1575 | L1575-D1591 HydrophobicContact CB-CB 4.22Å; L1575-D1591 HydrophobicContact CD2-CB 4.44Å; L1575-D1591 PolarHBondContact N-O 3.38Å; L1575-D1591 PolarHBondContact O-N 2.98Å |
| 1592 | Y | 92.8 | Very high | 87.1 | Confident | 53 Ų | 53 | 46.9 Ų | 46.9 | 21% | 0.208 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 164.1 | -178.1 | 66 | -79.9 | 0 | 0 | 0 | 110.3 | V1590 D1594 I1597 F1600 | V1590-Y1592 HydrophobicContact CG1-CD1 3.96Å; V1590-Y1592 HydrophobicContact CG1-CE1 4.26Å; Y1592-D1594 HydrophobicContact CD2-CB 4.46Å; Y1592-D1594 HydrophobicContact CE2-CB 3.92Å; Y1592-D1594 PolarHBondContact O-N 3.14Å; Y1592-I1597 HydrophobicContact CD2-CB 4.16Å; Y1592-I1597 WeakPolarHBondContact CE2-O 3.4Å; Y1592-F1600 HydrophobicContact CD1-CE1 4.11Å; Y1592-F1600 AromaticContact CD1-CZ 3.87Å; Y1592-F1600 HydrophobicContact CD1-CZ 3.87Å; Y1592-F1600 AromaticContact CD2-CE1 3.88Å; Y1592-F1600 HydrophobicContact CD2-CE1 3.88Å; Y1592-F1600 HydrophobicContact CD2-CZ 4.42Å; Y1592-F1600 HydrophobicContact CE1-CE1 4.23Å; Y1592-F1600 HydrophobicContact CE1-CZ 4.16Å; Y1592-F1600 HydrophobicContact CE2-CE1 4.01Å; Y1592-F1600 AromaticContact CG-CE1 3.92Å; Y1592-F1600 HydrophobicContact CG-CE1 3.92Å; Y1592-F1600 HydrophobicContact CG-CZ 4Å |
| 1593 | D | 86.2 | Confident | 88 | Confident | 63 Ų | 63 | 43.7 Ų | 43.7 | 34% | 0.337 | 23% | 0.229 | S | C | . | . | trans | -83.2 | 105 | 172.2 | -167.8 | -25.9 | 0 | 0 | 0 | 109.8 | T1595 E1596 I1597 | D1593-T1595 PolarHBondContact O-N 2.86Å; D1593-T1595 WeakPolarHBondContact OD1-CB 3.46Å; D1593-T1595 PolarHBondContact OD1-N 3.2Å; D1593-T1595 PolarHBondContact OD1-OG1 3.36Å; D1593-E1596 HydrophobicContact CB-CB 4.33Å; D1593-E1596 HydrophobicContact CB-CG 4.42Å; D1593-E1596 PolarHBondContact O-N 3.3Å; D1593-I1597 PolarHBondContact O-N 2.92Å | ||
| 1594 | D | 82.4 | Confident | 88.8 | Confident | 124 Ų | 124 | 38.4 Ų | 38.4 | 66% | 0.663 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -9.1 | -179.6 | 63.4 | -18.3 | 0 | 0 | 0 | 113.3 | Y1592 | Y1592-D1594 HydrophobicContact CD2-CB 4.46Å; Y1592-D1594 HydrophobicContact CE2-CB 3.92Å; Y1592-D1594 PolarHBondContact O-N 3.14Å |
| 1595 | T | 80.1 | Confident | 89 | Confident | 120 Ų | 120 | 38 Ų | 38 | 74% | 0.736 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -24.4 | 171.1 | 74.7 | 0 | 0 | 0 | 0 | 112.6 | D1593 | D1593-T1595 PolarHBondContact O-N 2.86Å; D1593-T1595 WeakPolarHBondContact OD1-CB 3.46Å; D1593-T1595 PolarHBondContact OD1-N 3.2Å; D1593-T1595 PolarHBondContact OD1-OG1 3.36Å |
| 1596 | E | 79.6 | Confident | 89.1 | Confident | 101 Ų | 101 | 39 Ų | 39 | 47% | 0.472 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -29.2 | 179.6 | -68.8 | -164.1 | 170.2 | 0 | 0 | 114 | D1593 K1629 | D1593-E1596 HydrophobicContact CB-CB 4.33Å; D1593-E1596 HydrophobicContact CB-CG 4.42Å; D1593-E1596 PolarHBondContact O-N 3.3Å; E1596-K1629 IonicContact OE2-NZ 3.5Å; E1596-K1629 PolarHBondContact OE2-NZ 3.05Å |
| 1597 | I | 84.8 | Confident | 89 | Confident | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -126.1 | 119 | -172.5 | -48.5 | 175 | 0 | 0 | 0 | 109.5 | D1573 V1574 Y1592 D1593 F1600 L1628 K1629 | D1573-I1597 HydrophobicContact CB-CD1 4.17Å; V1574-I1597 HydrophobicContact CG2-CD1 3.56Å; Y1592-I1597 HydrophobicContact CD2-CB 4.16Å; Y1592-I1597 WeakPolarHBondContact CE2-O 3.4Å; D1593-I1597 PolarHBondContact O-N 2.92Å; I1597-F1600 HydrophobicContact CG2-CD1 3.78Å; I1597-F1600 HydrophobicContact CG2-CE1 3.78Å; I1597-L1628 HydrophobicContact CG2-CB 3.85Å; I1597-K1629 HydrophobicContact CD1-CB 4.11Å; I1597-K1629 HydrophobicContact CD1-CD 3.88Å; I1597-K1629 HydrophobicContact CD1-CG 4.45Å; I1597-K1629 HydrophobicContact CG1-CD 4.07Å |
| 1598 | D | 83.7 | Confident | 88.9 | Confident | 109 Ų | 109 | 38.4 Ų | 38.4 | 58% | 0.583 | 20% | 0.201 | S | C | * | . | trans | -60.5 | 162.4 | 172 | -67.9 | -45.1 | 0 | 0 | 0 | 112.2 | F1600 L1628 | D1598-F1600 VanDerWaalsContact O-CD1 3.3Å; D1598-F1600 WeakPolarHBondContact O-CD1 3.22Å; D1598-F1600 PolarHBondContact O-N 2.9Å; D1598-L1628 HydrophobicContact CB-CD1 4.16Å; D1598-L1628 VanDerWaalsContact O-CD1 3.31Å; D1598-L1628 WeakPolarHBondContact O-CD1 3.44Å | ||
| 1599 | E | 85.8 | Confident | 88.8 | Confident | 35 Ų | 35 | 38.4 Ų | 38.4 | 16% | 0.164 | 20% | 0.201 | C | C | . | . | trans | -56.1 | 135.3 | 177.9 | -64.1 | -172.5 | -141.8 | 0 | 0 | 114.1 | L1050 A1053 R1057 I1097 Q1100 | L1050-E1599 WeakPolarHBondContact CD1-OE1 3.32Å; A1053-E1599 WeakPolarHBondContact CB-OE2 3.48Å; R1057-E1599 IonicContact NH1-OE2 3.23Å; I1097-E1599 HydrophobicContact CD1-CB 4.15Å; Q1100-E1599 PolarHBondContact NE2-O 3.17Å | ||
| 1600 | F | 91.1 | Very high | 88.6 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.009 | 20% | 0.201 | C | C | . | . | trans | -137.1 | 153.6 | -178.8 | 53.7 | -92.5 | 0 | 0 | 0 | 116 | R1057 V1574 V1590 Y1592 I1597 D1598 T1621 N1624 A1625 L1628 | R1057-F1600 PolarHBondContact NH2-O 3.2Å; V1574-F1600 HydrophobicContact CB-CZ 4.45Å; V1574-F1600 HydrophobicContact CG1-CE2 3.94Å; V1574-F1600 HydrophobicContact CG1-CZ 3.55Å; V1574-F1600 HydrophobicContact CG2-CE1 4.26Å; V1574-F1600 HydrophobicContact CG2-CZ 4.01Å; V1590-F1600 HydrophobicContact CG1-CE2 4.18Å; V1590-F1600 HydrophobicContact CG1-CZ 4.18Å; Y1592-F1600 HydrophobicContact CD1-CE1 4.11Å; Y1592-F1600 AromaticContact CD1-CZ 3.87Å; Y1592-F1600 HydrophobicContact CD1-CZ 3.87Å; Y1592-F1600 AromaticContact CD2-CE1 3.88Å; Y1592-F1600 HydrophobicContact CD2-CE1 3.88Å; Y1592-F1600 HydrophobicContact CD2-CZ 4.42Å; Y1592-F1600 HydrophobicContact CE1-CE1 4.23Å; Y1592-F1600 HydrophobicContact CE1-CZ 4.16Å; Y1592-F1600 HydrophobicContact CE2-CE1 4.01Å; Y1592-F1600 AromaticContact CG-CE1 3.92Å; Y1592-F1600 HydrophobicContact CG-CE1 3.92Å; Y1592-F1600 HydrophobicContact CG-CZ 4Å; I1597-F1600 HydrophobicContact CG2-CD1 3.78Å; I1597-F1600 HydrophobicContact CG2-CE1 3.78Å; D1598-F1600 VanDerWaalsContact O-CD1 3.3Å; D1598-F1600 WeakPolarHBondContact O-CD1 3.22Å; D1598-F1600 PolarHBondContact O-N 2.9Å; F1600-T1621 HydrophobicContact CD2-CG2 3.92Å; F1600-T1621 HydrophobicContact CE2-CG2 4.03Å; F1600-N1624 HydrophobicContact CB-CB 4.04Å; F1600-A1625 HydrophobicContact CD1-CB 4.42Å; F1600-A1625 HydrophobicContact CD2-CB 3.62Å; F1600-A1625 HydrophobicContact CE1-CB 4.35Å; F1600-A1625 HydrophobicContact CE2-CB 3.52Å; F1600-A1625 HydrophobicContact CG-CB 4.11Å; F1600-A1625 HydrophobicContact CZ-CB 3.92Å; F1600-L1628 HydrophobicContact CB-CD1 3.68Å; F1600-L1628 HydrophobicContact CD1-CD1 4.29Å; F1600-L1628 HydrophobicContact CG-CD1 4.47Å | ||
| 1601 | G | 87.3 | Confident | 88.4 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | S | Bend | trans | 72 | 164.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | R1057 | R1057-G1601 PolarHBondContact NE-O 3.43Š|
| 1602 | P | 93.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -72.7 | -29.7 | 175.7 | 29.1 | -35.5 | 0 | 0 | 0 | 112.8 | L1101 L1617 T1621 | L1101-P1602 HydrophobicContact CD2-CB 4.02Å; P1602-L1617 HydrophobicContact CB-CD2 3.84Å; P1602-L1617 HydrophobicContact CG-CB 4.47Å; P1602-L1617 HydrophobicContact CG-CD2 3.57Å; P1602-T1621 WeakPolarHBondContact CD-OG1 3.47Å |
| 1603 | L | 95.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -85.4 | 135.2 | 178.1 | -59 | 176.9 | 0 | 0 | 0 | 110.6 | R1057 V1061 I1588 A1607 V1609 L1617 V1618 T1621 | R1057-L1603 PolarHBondContact NH2-O 3.4Å; V1061-L1603 HydrophobicContact CG2-CD2 4.43Å; I1588-L1603 HydrophobicContact CG1-CD1 4.24Å; I1588-L1603 HydrophobicContact CG1-CD2 4.48Å; I1588-L1603 HydrophobicContact CG2-CB 4.49Å; I1588-L1603 HydrophobicContact CG2-CD1 4.23Å; L1603-A1607 HydrophobicContact CD2-CB 4.35Å; L1603-V1609 HydrophobicContact CD2-CG1 3.51Å; L1603-L1617 HydrophobicContact CD1-CB 3.89Å; L1603-L1617 HydrophobicContact CD2-CB 3.76Å; L1603-L1617 HydrophobicContact CD2-CD1 3.95Å; L1603-L1617 HydrophobicContact CD2-CG 4.42Å; L1603-L1617 HydrophobicContact CG-CB 3.79Å; L1603-V1618 HydrophobicContact CD1-CB 4.27Å; L1603-V1618 HydrophobicContact CD1-CG2 3.61Å; L1603-T1621 HydrophobicContact CB-CG2 4.12Å; L1603-T1621 WeakPolarHBondContact CB-OG1 3.43Å; L1603-T1621 WeakPolarHBondContact CG-OG1 3.44Å; L1603-T1621 PolarHBondContact N-OG1 2.92Å | ||
| 1604 | F | 92.3 | Very high | 88.5 | Confident | 3 Ų | 3 | 34 Ų | 34 | 1% | 0.013 | 18% | 0.18 | C | C | . | . | trans | -118.6 | 172.7 | 173.9 | 48.6 | -80.6 | 0 | 0 | 0 | 109.5 | S999 L1054 R1057 V1061 A1607 | S999-F1604 VanDerWaalsContact CB-CZ 3.43Å; L1054-F1604 HydrophobicContact CD2-CB 4.02Å; L1054-F1604 HydrophobicContact CD2-CD2 3.97Å; L1054-F1604 HydrophobicContact CD2-CG 3.98Å; R1057-F1604 HydrophobicContact CB-CD1 3.79Å; R1057-F1604 HydrophobicContact CB-CE1 4.17Å; V1061-F1604 HydrophobicContact CG2-CE1 4.45Å; F1604-A1607 HydrophobicContact CD1-CB 4.29Å; F1604-A1607 HydrophobicContact CD2-CB 4.27Å; F1604-A1607 HydrophobicContact CE1-CB 4.1Å; F1604-A1607 HydrophobicContact CE2-CB 4.08Å; F1604-A1607 HydrophobicContact CG-CB 4.34Å; F1604-A1607 HydrophobicContact CZ-CB 3.95Å; F1604-A1607 VanDerWaalsContact O-CB 3.3Å; F1604-A1607 WeakPolarHBondContact O-CB 3.34Å; F1604-A1607 PolarHBondContact O-N 2.91Å | ||
| 1605 | N | 90.4 | Very high | 89.1 | Confident | 57 Ų | 57 | 28.9 Ų | 28.9 | 31% | 0.305 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 140.4 | 176.9 | -173.6 | 59 | 0 | 0 | 0 | 110.7 | H996 Q1589 V1590 A1607 | H996-N1605 PolarHBondContact CE1-O 2.94Å; H996-N1605 PolarHBondContact NE2-O 2.97Å; Q1589-N1605 VanDerWaalsContact CA-OD1 3.32Å; Q1589-N1605 WeakPolarHBondContact CA-OD1 3.18Å; Q1589-N1605 WeakPolarHBondContact CG-OD1 3.35Å; V1590-N1605 HydrophobicContact CB-CB 4.49Å; V1590-N1605 PolarHBondContact N-OD1 3.12Å; N1605-A1607 PolarHBondContact O-N 3.02Å; N1605-A1607 VanDerWaalsContact O-N 3.17Å |
| 1606 | D | 88.8 | Confident | 89.7 | Confident | 27 Ų | 27 | 24.1 Ų | 24.1 | 14% | 0.144 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 25.1 | -175.9 | -67.2 | -45.7 | 0 | 0 | 0 | 114.7 | V956 S1000 R1587 I1588 I1608 | V956-D1606 HydrophobicContact CG1-CB 3.64Å; V956-D1606 WeakPolarHBondContact CG1-O 3.4Å; S1000-D1606 WeakPolarHBondContact CB-O 2.97Å; S1000-D1606 PolarHBondContact OG-O 3.47Å; R1587-D1606 IonicContact NH1-OD1 3.52Å; I1588-D1606 WeakPolarHBondContact O-CA 3.23Å; I1588-D1606 PolarHBondContact O-N 3.31Å; D1606-I1608 PolarHBondContact O-N 3.32Å |
| 1607 | A | 90.5 | Very high | 90.5 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.008 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 130.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | I1588 L1603 F1604 N1605 | I1588-A1607 HydrophobicContact CB-CB 4.45Å; I1588-A1607 PolarHBondContact N-O 3.26Å; I1588-A1607 PolarHBondContact O-N 3.17Å; L1603-A1607 HydrophobicContact CD2-CB 4.35Å; F1604-A1607 HydrophobicContact CD1-CB 4.29Å; F1604-A1607 HydrophobicContact CD2-CB 4.27Å; F1604-A1607 HydrophobicContact CE1-CB 4.1Å; F1604-A1607 HydrophobicContact CE2-CB 4.08Å; F1604-A1607 HydrophobicContact CG-CB 4.34Å; F1604-A1607 HydrophobicContact CZ-CB 3.95Å; F1604-A1607 VanDerWaalsContact O-CB 3.3Å; F1604-A1607 WeakPolarHBondContact O-CB 3.34Å; F1604-A1607 PolarHBondContact O-N 2.91Å; N1605-A1607 PolarHBondContact O-N 3.02Å; N1605-A1607 VanDerWaalsContact O-N 3.17Å |
| 1608 | I | 89.4 | Confident | 91.1 | Very high | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 121.8 | 171.2 | -54 | 177.1 | 0 | 0 | 0 | 108.8 | V956 L959 S1000 L1004 L1581 L1585 F1586 D1606 | V956-I1608 HydrophobicContact CB-CD1 4.47Å; V956-I1608 HydrophobicContact CG1-CD1 4.01Å; V956-I1608 HydrophobicContact CG1-CG1 3.84Å; V956-I1608 HydrophobicContact CG2-CD1 4.44Å; L959-I1608 HydrophobicContact CD1-CD1 4.24Å; S1000-I1608 VanDerWaalsContact O-CB 3.23Å; S1000-I1608 WeakPolarHBondContact O-CB 3.26Å; S1000-I1608 WeakPolarHBondContact O-CG1 3.29Å; S1000-I1608 PolarHBondContact O-N 2.77Å; L1004-I1608 HydrophobicContact CD1-CD1 4.44Å; L1004-I1608 HydrophobicContact CD2-CD1 4.44Å; L1004-I1608 HydrophobicContact CD2-CG2 4.25Å; L1581-I1608 HydrophobicContact CD1-CG2 4.44Å; L1585-I1608 HydrophobicContact CB-CG2 4.2Å; L1585-I1608 HydrophobicContact CD1-CG2 4.43Å; L1585-I1608 HydrophobicContact CD2-CG2 3.91Å; L1585-I1608 HydrophobicContact CG-CG2 4.42Å; F1586-I1608 WeakPolarHBondContact O-CA 3.4Å; D1606-I1608 PolarHBondContact O-N 3.32Å |
| 1609 | V | 90.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 144.4 | -178.4 | -62.3 | 0 | 0 | 0 | 0 | 113.4 | L1003 V1061 L1585 F1586 I1588 L1603 L1614 L1617 | L1003-V1609 HydrophobicContact CD1-CB 4.37Å; L1003-V1609 HydrophobicContact CD1-CG1 4.33Å; V1061-V1609 HydrophobicContact CG1-CG1 4.19Å; L1585-V1609 CarbonylContact C-O 3.56Å; F1586-V1609 HydrophobicContact CB-CG2 4.18Å; F1586-V1609 PolarHBondContact N-O 3.38Å; F1586-V1609 PolarHBondContact O-N 3.19Å; I1588-V1609 HydrophobicContact CD1-CG2 3.85Å; I1588-V1609 HydrophobicContact CG1-CG2 3.79Å; L1603-V1609 HydrophobicContact CD2-CG1 3.51Å; V1609-L1614 HydrophobicContact CG2-CB 4.34Å; V1609-L1614 HydrophobicContact CG2-CD1 3.5Å; V1609-L1614 VanDerWaalsContact CG2-CD1 3.5Å; V1609-L1617 HydrophobicContact CG1-CD1 4.03Å |
| 1610 | H | 89.7 | Confident | 92.1 | Very high | 35 Ų | 35 | 14 Ų | 14 | 16% | 0.162 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 149.8 | 174.8 | -179.7 | -113 | 0 | 0 | 0 | 111.5 | H1007 D1584 L1585 S1612 V1613 L1614 | H1007-H1610 AromaticContact CE1-CD2 3.17Å; H1007-H1610 PolarHBondContact CE1-CD2 3.28Å; H1007-H1610 AromaticContact CE1-CG 3.45Å; H1007-H1610 VanDerWaalsContact CE1-CG 3.45Å; H1007-H1610 AromaticContact CE1-NE2 3.88Å; H1007-H1610 AromaticContact NE2-CD2 3.78Å; H1007-H1610 AromaticContact NE2-CG 3.94Å; D1584-H1610 PolarHBondContact O-CD2 3.01Å; L1585-H1610 HydrophobicContact CD2-CB 4.38Å; H1610-S1612 VanDerWaalsContact ND1-CB 3.32Å; H1610-S1612 WeakPolarHBondContact ND1-CB 3.2Å; H1610-S1612 PolarHBondContact ND1-N 3.46Å; H1610-S1612 VanDerWaalsContact ND1-N 3.16Å; H1610-S1612 PolarHBondContact ND1-OG 2.88Å; H1610-S1612 PolarHBondContact O-N 3.21Å; H1610-V1613 WeakPolarHBondContact O-CG2 3.43Å; H1610-V1613 PolarHBondContact O-N 3.4Å; H1610-V1613 VanDerWaalsContact O-N 3.11Å; H1610-L1614 PolarHBondContact O-N 2.94Å; H1610-L1614 VanDerWaalsContact O-N 3.11Å |
| 1611 | W | 90.8 | Very high | 92.4 | Very high | 52 Ų | 52 | 13.9 Ų | 13.9 | 20% | 0.197 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -43.2 | -42.8 | 175.3 | -175.5 | -115.4 | 0 | 0 | 0 | 114.4 | R1486 E1489 F1490 W1555 D1584 F1586 V1613 L1614 | R1486-W1611 WeakPolarHBondContact O-CH2 3.38Å; E1489-W1611 HydrophobicContact CB-CH2 3.94Å; E1489-W1611 HydrophobicContact CB-CZ2 3.71Å; E1489-W1611 HydrophobicContact CG-CH2 4.3Å; E1489-W1611 HydrophobicContact CG-CZ2 3.56Å; E1489-W1611 WeakPolarHBondContact OE1-CZ2 3.26Å; E1489-W1611 PolarHBondContact OE1-NE1 3.38Å; F1490-W1611 HydrophobicContact CB-CH2 3.79Å; F1490-W1611 HydrophobicContact CB-CZ3 4.04Å; W1555-W1611 AromaticContact CH2-CZ3 3.97Å; W1555-W1611 HydrophobicContact CH2-CZ3 3.97Å; W1555-W1611 HydrophobicContact CZ3-CZ3 4.36Å; D1584-W1611 HydrophobicContact CB-CB 4.01Å; D1584-W1611 PolarHBondContact O-N 2.86Å; F1586-W1611 HydrophobicContact CD2-CE3 4.36Å; F1586-W1611 HydrophobicContact CE1-CE3 4.36Å; F1586-W1611 HydrophobicContact CE1-CZ3 4.36Å; F1586-W1611 HydrophobicContact CE2-CB 4.07Å; F1586-W1611 HydrophobicContact CE2-CD2 4.3Å; F1586-W1611 AromaticContact CE2-CE3 3.42Å; F1586-W1611 HydrophobicContact CE2-CE3 3.42Å; F1586-W1611 VanDerWaalsContact CE2-CE3 3.42Å; F1586-W1611 HydrophobicContact CE2-CZ3 4.2Å; F1586-W1611 HydrophobicContact CZ-CD2 4.49Å; F1586-W1611 AromaticContact CZ-CE3 3.41Å; F1586-W1611 HydrophobicContact CZ-CE3 3.41Å; F1586-W1611 VanDerWaalsContact CZ-CE3 3.41Å; F1586-W1611 AromaticContact CZ-CZ3 3.75Å; F1586-W1611 HydrophobicContact CZ-CZ3 3.75Å; W1611-V1613 PolarHBondContact O-N 3.31Å; W1611-V1613 VanDerWaalsContact O-N 3.13Å; W1611-L1614 HydrophobicContact CE3-CD2 3.9Å; W1611-L1614 HydrophobicContact CZ3-CD2 3.94Å; W1611-L1614 PolarHBondContact O-N 3.48Å |
| 1612 | S | 88.2 | Confident | 92.8 | Very high | 36 Ų | 36 | 13.8 Ų | 13.8 | 25% | 0.252 | 8% | 0.075 | S | C | . | . | H | α-helix | trans | -63.1 | -22.3 | -173.8 | 65.9 | 0 | 0 | 0 | 0 | 114.9 | H1610 | H1610-S1612 VanDerWaalsContact ND1-CB 3.32Å; H1610-S1612 WeakPolarHBondContact ND1-CB 3.2Å; H1610-S1612 PolarHBondContact ND1-N 3.46Å; H1610-S1612 VanDerWaalsContact ND1-N 3.16Å; H1610-S1612 PolarHBondContact ND1-OG 2.88Å; H1610-S1612 PolarHBondContact O-N 3.21Å |
| 1613 | V | 90.5 | Very high | 92.9 | Very high | 3 Ų | 3 | 14.2 Ų | 14.2 | 2% | 0.018 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -119.2 | -13.6 | -177.9 | -64.8 | 0 | 0 | 0 | 0 | 113 | L1003 H1064 R1068 H1610 W1611 A1615 C1616 L1617 | L1003-V1613 HydrophobicContact CD1-CG2 4.29Å; H1064-V1613 HydrophobicContact CB-CB 4.45Å; H1064-V1613 HydrophobicContact CB-CG1 4.05Å; R1068-V1613 HydrophobicContact CB-CG1 4.22Å; H1610-V1613 WeakPolarHBondContact O-CG2 3.43Å; H1610-V1613 PolarHBondContact O-N 3.4Å; H1610-V1613 VanDerWaalsContact O-N 3.11Å; W1611-V1613 PolarHBondContact O-N 3.31Å; W1611-V1613 VanDerWaalsContact O-N 3.13Å; V1613-A1615 PolarHBondContact O-N 2.92Å; V1613-C1616 PolarHBondContact O-N 3.43Å; V1613-L1617 HydrophobicContact CB-CD1 3.9Å; V1613-L1617 HydrophobicContact CB-CG 4.27Å; V1613-L1617 HydrophobicContact CG2-CD1 3.68Å; V1613-L1617 WeakPolarHBondContact O-CG 3.15Å; V1613-L1617 PolarHBondContact O-N 3.19Å |
| 1614 | L | 94.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.005 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -47.6 | -60.2 | -174.9 | 174.2 | 64.9 | 0 | 0 | 0 | 113.3 | F1490 W1555 I1578 F1586 I1588 V1609 H1610 W1611 C1616 L1617 V1618 | F1490-L1614 HydrophobicContact CD2-CD2 3.77Å; F1490-L1614 HydrophobicContact CD2-CG 3.92Å; F1490-L1614 HydrophobicContact CE2-CD2 4.2Å; F1490-L1614 HydrophobicContact CE2-CG 3.93Å; W1555-L1614 HydrophobicContact CZ3-CD2 4.12Å; I1578-L1614 HydrophobicContact CD1-CD1 4.46Å; I1578-L1614 HydrophobicContact CG2-CD1 4.24Å; I1578-L1614 HydrophobicContact CG2-CD2 4.46Å; F1586-L1614 HydrophobicContact CB-CD1 4.22Å; F1586-L1614 HydrophobicContact CB-CD2 4.36Å; F1586-L1614 HydrophobicContact CD1-CD2 3.94Å; F1586-L1614 HydrophobicContact CD2-CD2 3.82Å; F1586-L1614 HydrophobicContact CE1-CD2 4.24Å; F1586-L1614 HydrophobicContact CE2-CD2 4.15Å; F1586-L1614 HydrophobicContact CG-CD1 4.48Å; F1586-L1614 HydrophobicContact CG-CD2 3.74Å; F1586-L1614 HydrophobicContact CZ-CD2 4.34Å; I1588-L1614 HydrophobicContact CD1-CD1 3.67Å; V1609-L1614 HydrophobicContact CG2-CB 4.34Å; V1609-L1614 HydrophobicContact CG2-CD1 3.5Å; V1609-L1614 VanDerWaalsContact CG2-CD1 3.5Å; H1610-L1614 PolarHBondContact O-N 2.94Å; H1610-L1614 VanDerWaalsContact O-N 3.11Å; W1611-L1614 HydrophobicContact CE3-CD2 3.9Å; W1611-L1614 HydrophobicContact CZ3-CD2 3.94Å; W1611-L1614 PolarHBondContact O-N 3.48Å; L1614-C1616 VanDerWaalsContact C-N 3.27Å; L1614-C1616 PolarHBondContact O-N 2.92Å; L1614-L1617 PolarHBondContact O-N 3.12Å; L1614-V1618 HydrophobicContact CD1-CG2 3.77Å; L1614-V1618 HydrophobicContact CG-CG2 4.47Å; L1614-V1618 WeakPolarHBondContact O-CB 3.42Å; L1614-V1618 VanDerWaalsContact O-CG2 3.29Å; L1614-V1618 WeakPolarHBondContact O-CG2 3.16Å; L1614-V1618 PolarHBondContact O-N 3.23Å |
| 1615 | A | 95.1 | Very high | 92.9 | Very high | 16 Ų | 16 | 14.2 Ų | 14.2 | 13% | 0.132 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.7 | -33.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1490 L1494 V1613 R1619 | F1490-A1615 HydrophobicContact CD2-CB 4.14Å; F1490-A1615 HydrophobicContact CE2-CB 4.23Å; L1494-A1615 HydrophobicContact CD2-CB 4.49Å; V1613-A1615 PolarHBondContact O-N 2.92Å; A1615-R1619 VanDerWaalsContact O-CB 3.28Å; A1615-R1619 WeakPolarHBondContact O-CB 3.43Å; A1615-R1619 PolarHBondContact O-N 3.42Å; A1615-R1619 VanDerWaalsContact O-N 3.14Å |
| 1616 | C | 92.3 | Very high | 93.1 | Very high | 20 Ų | 20 | 11.5 Ų | 11.5 | 14% | 0.135 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -68.5 | -49.8 | 177.3 | -171.7 | 0 | 0 | 0 | 0 | 111.3 | V1613 L1614 R1619 S1620 | V1613-C1616 PolarHBondContact O-N 3.43Å; L1614-C1616 VanDerWaalsContact C-N 3.27Å; L1614-C1616 PolarHBondContact O-N 2.92Å; C1616-R1619 PolarHBondContact O-N 3.08Å; C1616-S1620 PolarHBondContact O-N 3.31Å; C1616-S1620 PolarHBondContact O-OG 3.45Å |
| 1617 | L | 95.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -66.3 | -40.1 | -178.3 | -68.5 | 174.8 | 0 | 0 | 0 | 112 | V1061 H1064 P1602 L1603 V1609 V1613 L1614 S1620 T1621 | V1061-L1617 HydrophobicContact CG1-CD1 4.48Å; V1061-L1617 HydrophobicContact CG2-CD1 4.48Å; H1064-L1617 HydrophobicContact CB-CD2 4.3Å; P1602-L1617 HydrophobicContact CB-CD2 3.84Å; P1602-L1617 HydrophobicContact CG-CB 4.47Å; P1602-L1617 HydrophobicContact CG-CD2 3.57Å; L1603-L1617 HydrophobicContact CD1-CB 3.89Å; L1603-L1617 HydrophobicContact CD2-CB 3.76Å; L1603-L1617 HydrophobicContact CD2-CD1 3.95Å; L1603-L1617 HydrophobicContact CD2-CG 4.42Å; L1603-L1617 HydrophobicContact CG-CB 3.79Å; V1609-L1617 HydrophobicContact CG1-CD1 4.03Å; V1613-L1617 HydrophobicContact CB-CD1 3.9Å; V1613-L1617 HydrophobicContact CB-CG 4.27Å; V1613-L1617 HydrophobicContact CG2-CD1 3.68Å; V1613-L1617 WeakPolarHBondContact O-CG 3.15Å; V1613-L1617 PolarHBondContact O-N 3.19Å; L1614-L1617 PolarHBondContact O-N 3.12Å; L1617-S1620 PolarHBondContact O-N 3.41Å; L1617-T1621 WeakPolarHBondContact O-CB 3.25Å; L1617-T1621 PolarHBondContact O-N 3.37Å; L1617-T1621 PolarHBondContact O-OG1 3.45Å |
| 1618 | V | 97.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63.2 | -46.2 | 176 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | F1490 L1494 I1553 I1578 I1588 L1603 L1614 T1621 A1622 | F1490-V1618 HydrophobicContact CE2-CB 4.32Å; F1490-V1618 HydrophobicContact CE2-CG1 4.49Å; F1490-V1618 HydrophobicContact CE2-CG2 4.28Å; F1490-V1618 HydrophobicContact CZ-CB 4.35Å; F1490-V1618 HydrophobicContact CZ-CG1 4.03Å; F1490-V1618 HydrophobicContact CZ-CG2 4.49Å; L1494-V1618 HydrophobicContact CD2-CG1 4.45Å; I1553-V1618 HydrophobicContact CD1-CG1 3.62Å; I1553-V1618 HydrophobicContact CG1-CG1 4.08Å; I1553-V1618 HydrophobicContact CG2-CG1 4.12Å; I1578-V1618 HydrophobicContact CD1-CG1 4.34Å; I1578-V1618 HydrophobicContact CD1-CG2 3.92Å; I1588-V1618 HydrophobicContact CD1-CG2 4.45Å; L1603-V1618 HydrophobicContact CD1-CB 4.27Å; L1603-V1618 HydrophobicContact CD1-CG2 3.61Å; L1614-V1618 HydrophobicContact CD1-CG2 3.77Å; L1614-V1618 HydrophobicContact CG-CG2 4.47Å; L1614-V1618 WeakPolarHBondContact O-CB 3.42Å; L1614-V1618 VanDerWaalsContact O-CG2 3.29Å; L1614-V1618 WeakPolarHBondContact O-CG2 3.16Å; L1614-V1618 PolarHBondContact O-N 3.23Å; V1618-T1621 PolarHBondContact O-N 3.09Å; V1618-A1622 WeakPolarHBondContact O-CB 3.45Å; V1618-A1622 PolarHBondContact O-N 2.82Å |
| 1619 | R | 96.1 | Very high | 93.2 | Very high | 23 Ų | 23 | 12.6 Ų | 12.6 | 9% | 0.087 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -59.1 | -49.5 | 176.3 | 174.6 | 173.4 | 66.1 | -131.2 | -7.8 | 111.9 | G1493 L1494 Y1519 F1528 A1615 C1616 T1621 A1622 I1623 | G1493-R1619 PolarHBondContact O-NH1 3.09Å; G1493-R1619 VanDerWaalsContact O-NH1 3.13Å; L1494-R1619 VanDerWaalsContact C-NH1 3.32Å; L1494-R1619 HydrophobicContact CD2-CB 4.35Å; L1494-R1619 VanDerWaalsContact O-CD 3.29Å; L1494-R1619 WeakPolarHBondContact O-CD 3.48Å; L1494-R1619 PolarHBondContact O-NH1 3.46Å; Y1519-R1619 HydrophobicContact CD1-CG 4.5Å; F1528-R1619 HydrophobicContact CZ-CG 4.14Å; A1615-R1619 VanDerWaalsContact O-CB 3.28Å; A1615-R1619 WeakPolarHBondContact O-CB 3.43Å; A1615-R1619 PolarHBondContact O-N 3.42Å; A1615-R1619 VanDerWaalsContact O-N 3.14Å; C1616-R1619 PolarHBondContact O-N 3.08Å; R1619-T1621 VanDerWaalsContact C-N 3.31Å; R1619-T1621 PolarHBondContact O-N 2.9Å; R1619-A1622 PolarHBondContact O-N 3.09Å; R1619-I1623 HydrophobicContact CG-CD1 3.64Å; R1619-I1623 HydrophobicContact CG-CG1 4.45Å; R1619-I1623 WeakPolarHBondContact O-CD1 3.49Å; R1619-I1623 VanDerWaalsContact O-CG1 3.26Å; R1619-I1623 WeakPolarHBondContact O-CG1 3.16Å; R1619-I1623 PolarHBondContact O-N 3.32Å |
| 1620 | S | 94.9 | Very high | 93 | Very high | 14 Ų | 14 | 13.8 Ų | 13.8 | 10% | 0.098 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.7 | -40.3 | 179.4 | -66.5 | 0 | 0 | 0 | 0 | 112 | C1616 L1617 N1624 | C1616-S1620 PolarHBondContact O-N 3.31Å; C1616-S1620 PolarHBondContact O-OG 3.45Å; L1617-S1620 PolarHBondContact O-N 3.41Å; S1620-N1624 PolarHBondContact O-N 2.93Å; S1620-N1624 VanDerWaalsContact O-N 3.17Å; S1620-N1624 PolarHBondContact O-ND2 3.4Å; S1620-N1624 VanDerWaalsContact O-ND2 3.08Å |
| 1621 | T | 97.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64.7 | -46.8 | 176.7 | -54.1 | 0 | 0 | 0 | 0 | 111.1 | I1576 F1600 P1602 L1603 L1617 V1618 R1619 I1623 N1624 A1625 | I1576-T1621 HydrophobicContact CD1-CG2 4.04Å; F1600-T1621 HydrophobicContact CD2-CG2 3.92Å; F1600-T1621 HydrophobicContact CE2-CG2 4.03Å; P1602-T1621 WeakPolarHBondContact CD-OG1 3.47Å; L1603-T1621 HydrophobicContact CB-CG2 4.12Å; L1603-T1621 WeakPolarHBondContact CB-OG1 3.43Å; L1603-T1621 WeakPolarHBondContact CG-OG1 3.44Å; L1603-T1621 PolarHBondContact N-OG1 2.92Å; L1617-T1621 WeakPolarHBondContact O-CB 3.25Å; L1617-T1621 PolarHBondContact O-N 3.37Å; L1617-T1621 PolarHBondContact O-OG1 3.45Å; V1618-T1621 PolarHBondContact O-N 3.09Å; R1619-T1621 VanDerWaalsContact C-N 3.31Å; R1619-T1621 PolarHBondContact O-N 2.9Å; T1621-I1623 PolarHBondContact O-N 2.66Å; T1621-N1624 PolarHBondContact O-N 2.61Å; T1621-A1625 WeakPolarHBondContact O-CB 3.36Å; T1621-A1625 PolarHBondContact O-N 3.16Å |
| 1622 | A | 97.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66 | -36.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | I1462 V1551 I1553 I1576 V1618 R1619 S1626 | I1462-A1622 HydrophobicContact CD1-CB 3.74Å; I1462-A1622 HydrophobicContact CG2-CB 4.39Å; V1551-A1622 HydrophobicContact CG1-CB 3.97Å; I1553-A1622 HydrophobicContact CD1-CB 4.17Å; I1576-A1622 HydrophobicContact CD1-CB 4.12Å; V1618-A1622 WeakPolarHBondContact O-CB 3.45Å; V1618-A1622 PolarHBondContact O-N 2.82Å; R1619-A1622 PolarHBondContact O-N 3.09Å; A1622-S1626 PolarHBondContact O-N 3.23Å; A1622-S1626 VanDerWaalsContact O-N 3.07Å |
| 1623 | I | 94.5 | Very high | 91.9 | Very high | 9 Ų | 9 | 17.7 Ų | 17.7 | 5% | 0.046 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.5 | -45.9 | 174.5 | -69.4 | 162.9 | 0 | 0 | 0 | 110.5 | Y1519 I1524 V1526 R1619 T1621 R1627 | Y1519-I1623 HydrophobicContact CD1-CD1 4.41Å; Y1519-I1623 HydrophobicContact CE1-CD1 4.37Å; I1524-I1623 HydrophobicContact CD1-CD1 3.89Å; I1524-I1623 HydrophobicContact CD1-CG2 4.16Å; V1526-I1623 HydrophobicContact CG2-CD1 3.88Å; V1526-I1623 HydrophobicContact CG2-CG1 3.94Å; R1619-I1623 HydrophobicContact CG-CD1 3.64Å; R1619-I1623 HydrophobicContact CG-CG1 4.45Å; R1619-I1623 WeakPolarHBondContact O-CD1 3.49Å; R1619-I1623 VanDerWaalsContact O-CG1 3.26Å; R1619-I1623 WeakPolarHBondContact O-CG1 3.16Å; R1619-I1623 PolarHBondContact O-N 3.32Å; T1621-I1623 PolarHBondContact O-N 2.66Å; I1623-R1627 WeakPolarHBondContact O-CB 3.33Å; I1623-R1627 PolarHBondContact O-N 2.76Å |
| 1624 | N | 93.7 | Very high | 91.2 | Very high | 3 Ų | 3 | 23.2 Ų | 23.2 | 2% | 0.016 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.3 | -38.7 | 179.2 | -74.1 | -37.9 | 0 | 0 | 0 | 112.1 | Q1100 R1154 F1600 S1620 T1621 R1627 L1628 | Q1100-N1624 HydrophobicContact CG-CB 4.44Å; Q1100-N1624 VanDerWaalsContact OE1-CB 3.32Å; R1154-N1624 PolarHBondContact NH2-OD1 2.74Å; F1600-N1624 HydrophobicContact CB-CB 4.04Å; S1620-N1624 PolarHBondContact O-N 2.93Å; S1620-N1624 VanDerWaalsContact O-N 3.17Å; S1620-N1624 PolarHBondContact O-ND2 3.4Å; S1620-N1624 VanDerWaalsContact O-ND2 3.08Å; T1621-N1624 PolarHBondContact O-N 2.61Å; N1624-R1627 PolarHBondContact O-N 2.77Å; N1624-R1627 PolarHBondContact OD1-NH1 3.45Å; N1624-L1628 WeakPolarHBondContact O-CG 3.15Å; N1624-L1628 PolarHBondContact O-N 3.47Å |
| 1625 | A | 94.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.3 | -56.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1551 V1574 F1600 T1621 R1627 L1628 K1629 | V1551-A1625 HydrophobicContact CG2-CB 4.01Å; V1574-A1625 HydrophobicContact CB-CB 4.23Å; V1574-A1625 HydrophobicContact CG1-CB 3.97Å; V1574-A1625 HydrophobicContact CG2-CB 4.08Å; F1600-A1625 HydrophobicContact CD1-CB 4.42Å; F1600-A1625 HydrophobicContact CD2-CB 3.62Å; F1600-A1625 HydrophobicContact CE1-CB 4.35Å; F1600-A1625 HydrophobicContact CE2-CB 3.52Å; F1600-A1625 HydrophobicContact CG-CB 4.11Å; F1600-A1625 HydrophobicContact CZ-CB 3.92Å; T1621-A1625 WeakPolarHBondContact O-CB 3.36Å; T1621-A1625 PolarHBondContact O-N 3.16Å; A1625-R1627 VanDerWaalsContact C-N 3.27Å; A1625-R1627 PolarHBondContact O-N 2.84Å; A1625-L1628 PolarHBondContact O-N 2.66Å; A1625-K1629 PolarHBondContact O-N 3.14Å |
| 1626 | S | 93.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.9 | -39.1 | 179.2 | 173.4 | 0 | 0 | 0 | 0 | 111.7 | H1460 E1550 A1622 R1630 | H1460-S1626 WeakPolarHBondContact ND1-CB 3.48Å; H1460-S1626 PolarHBondContact ND1-OG 2.92Å; E1550-S1626 PolarHBondContact OE2-OG 3.34Å; A1622-S1626 PolarHBondContact O-N 3.23Å; A1622-S1626 VanDerWaalsContact O-N 3.07Å; S1626-R1630 WeakPolarHBondContact O-CG 3.41Å; S1626-R1630 PolarHBondContact O-N 3.22Å |
| 1627 | R | 90.8 | Very high | 88.7 | Confident | 12 Ų | 12 | 32.6 Ų | 32.6 | 5% | 0.045 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.4 | -46.6 | 177 | -177.3 | -179.3 | -68 | 137.7 | -13.5 | 112.6 | R1154 E1458 I1623 N1624 A1625 R1630 R1631 | R1154-R1627 VanDerWaalsContact NH1-CZ 3.28Å; E1458-R1627 WeakPolarHBondContact OE1-CB 3.47Å; E1458-R1627 VanDerWaalsContact OE1-CG 3.31Å; E1458-R1627 WeakPolarHBondContact OE1-CG 3.22Å; E1458-R1627 IonicContact OE1-CZ 3.34Å; E1458-R1627 IonicContact OE1-NE 2.99Å; E1458-R1627 PolarHBondContact OE1-NE 3.06Å; E1458-R1627 IonicContact OE1-NH2 2.71Å; E1458-R1627 IonicContact OE2-CZ 2.96Å; E1458-R1627 VanDerWaalsContact OE2-CZ 3.3Å; E1458-R1627 IonicContact OE2-NE 3.28Å; E1458-R1627 PolarHBondContact OE2-NE 3.12Å; E1458-R1627 IonicContact OE2-NH2 2.82Å; E1458-R1627 PolarHBondContact OE2-NH2 2.75Å; I1623-R1627 WeakPolarHBondContact O-CB 3.33Å; I1623-R1627 PolarHBondContact O-N 2.76Å; N1624-R1627 PolarHBondContact O-N 2.77Å; N1624-R1627 PolarHBondContact OD1-NH1 3.45Å; A1625-R1627 VanDerWaalsContact C-N 3.27Å; A1625-R1627 PolarHBondContact O-N 2.84Å; R1627-R1630 PolarHBondContact O-N 3.03Å; R1627-R1631 WeakPolarHBondContact O-CG 3.23Å; R1627-R1631 PolarHBondContact O-N 2.89Å |
| 1628 | L | 89.2 | Confident | 87.6 | Confident | 16 Ų | 16 | 33.9 Ų | 33.9 | 8% | 0.084 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.5 | -41.9 | 179.4 | -70.7 | -172.7 | 0 | 0 | 0 | 111.6 | I1597 D1598 F1600 N1624 A1625 R1630 R1631 S1632 | I1597-L1628 HydrophobicContact CG2-CB 3.85Å; D1598-L1628 HydrophobicContact CB-CD1 4.16Å; D1598-L1628 VanDerWaalsContact O-CD1 3.31Å; D1598-L1628 WeakPolarHBondContact O-CD1 3.44Å; F1600-L1628 HydrophobicContact CB-CD1 3.68Å; F1600-L1628 HydrophobicContact CD1-CD1 4.29Å; F1600-L1628 HydrophobicContact CG-CD1 4.47Å; N1624-L1628 WeakPolarHBondContact O-CG 3.15Å; N1624-L1628 PolarHBondContact O-N 3.47Å; A1625-L1628 PolarHBondContact O-N 2.66Å; L1628-R1630 VanDerWaalsContact C-N 3.29Å; L1628-R1630 PolarHBondContact O-N 3.27Å; L1628-R1631 PolarHBondContact O-N 3.21Å; L1628-R1631 VanDerWaalsContact O-N 3.13Å; L1628-S1632 PolarHBondContact O-N 3.37Å |
| 1629 | K | 90.5 | Very high | 86.4 | Confident | 25 Ų | 25 | 34.7 Ų | 34.7 | 11% | 0.109 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.7 | -41 | 174.9 | 178.5 | 63.7 | -164.5 | -154.3 | 0 | 112.1 | D1573 E1596 I1597 A1625 S1632 | D1573-K1629 HydrophobicContact CB-CD 3.78Å; D1573-K1629 HydrophobicContact CB-CG 3.96Å; D1573-K1629 VanDerWaalsContact CG-CD 3.47Å; D1573-K1629 VanDerWaalsContact CG-NZ 3.29Å; D1573-K1629 VanDerWaalsContact OD1-CE 3.26Å; D1573-K1629 WeakPolarHBondContact OD1-CE 3.45Å; D1573-K1629 IonicContact OD1-NZ 3.88Å; D1573-K1629 PolarHBondContact OD1-NZ 3.02Å; D1573-K1629 WeakPolarHBondContact OD2-CD 3.32Å; D1573-K1629 WeakPolarHBondContact OD2-CE 3.24Å; D1573-K1629 WeakPolarHBondContact OD2-CG 3.16Å; D1573-K1629 IonicContact OD2-NZ 2.77Å; E1596-K1629 IonicContact OE2-NZ 3.5Å; E1596-K1629 PolarHBondContact OE2-NZ 3.05Å; I1597-K1629 HydrophobicContact CD1-CB 4.11Å; I1597-K1629 HydrophobicContact CD1-CD 3.88Å; I1597-K1629 HydrophobicContact CD1-CG 4.45Å; I1597-K1629 HydrophobicContact CG1-CD 4.07Å; A1625-K1629 PolarHBondContact O-N 3.14Å; K1629-S1632 PolarHBondContact O-N 3.23Å; K1629-S1632 PolarHBondContact O-OG 3.38Å |
| 1630 | R | 88 | Confident | 85 | Confident | 24 Ų | 24 | 35.5 Ų | 35.5 | 9% | 0.091 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69.7 | -34.6 | 177.1 | -72.3 | 176.1 | -175.8 | 174.8 | 0.9 | 113.1 | L1459 E1550 S1626 R1627 L1628 S1632 I1633 Y1636 | L1459-R1630 VanDerWaalsContact O-CZ 3.23Å; L1459-R1630 PolarHBondContact O-NH1 3.12Å; L1459-R1630 PolarHBondContact O-NH2 3.41Å; E1550-R1630 IonicContact OE1-CZ 3.91Å; E1550-R1630 IonicContact OE1-NE 2.79Å; E1550-R1630 PolarHBondContact OE1-NE 3.4Å; E1550-R1630 IonicContact OE1-NH2 3.21Å; E1550-R1630 IonicContact OE2-CZ 3.6Å; E1550-R1630 IonicContact OE2-NE 2.63Å; E1550-R1630 PolarHBondContact OE2-NE 2.93Å; E1550-R1630 VanDerWaalsContact OE2-NE 3.09Å; E1550-R1630 IonicContact OE2-NH2 3.36Å; S1626-R1630 WeakPolarHBondContact O-CG 3.41Å; S1626-R1630 PolarHBondContact O-N 3.22Å; R1627-R1630 PolarHBondContact O-N 3.03Å; L1628-R1630 VanDerWaalsContact C-N 3.29Å; L1628-R1630 PolarHBondContact O-N 3.27Å; R1630-S1632 VanDerWaalsContact C-N 3.26Å; R1630-S1632 PolarHBondContact O-N 3.03Å; R1630-I1633 WeakPolarHBondContact O-CB 2.95Å; R1630-I1633 PolarHBondContact O-N 3.21Å; R1630-I1633 VanDerWaalsContact O-N 3.16Å; R1630-Y1636 HydrophobicContact CB-CD1 4.23Å; R1630-Y1636 HydrophobicContact CB-CD2 4.2Å; R1630-Y1636 HydrophobicContact CB-CE1 3.91Å; R1630-Y1636 HydrophobicContact CB-CE2 3.89Å; R1630-Y1636 HydrophobicContact CB-CG 4.36Å; R1630-Y1636 HydrophobicContact CG-CE2 4.3Å; R1630-Y1636 WeakPolarHBondContact O-CB 3.23Å; R1630-Y1636 WeakPolarHBondContact O-CD1 3.12Å |
| 1631 | R | 81 | Confident | 83.7 | Confident | 60 Ų | 60 | 35.6 Ų | 35.6 | 23% | 0.226 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.4 | -27.7 | 175.3 | -77.4 | 177.3 | 171.2 | -157.1 | -8.5 | 112.7 | R1627 L1628 I1633 | R1627-R1631 WeakPolarHBondContact O-CG 3.23Å; R1627-R1631 PolarHBondContact O-N 2.89Å; L1628-R1631 PolarHBondContact O-N 3.21Å; L1628-R1631 VanDerWaalsContact O-N 3.13Å; R1631-I1633 PolarHBondContact O-N 3.42Å |
| 1632 | S | 81.2 | Confident | 82.5 | Confident | 60 Ų | 60 | 39.4 Ų | 39.4 | 42% | 0.42 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -72.9 | -17.2 | 174.5 | 73.3 | 0 | 0 | 0 | 0 | 112.9 | L1628 K1629 R1630 S1634 | L1628-S1632 PolarHBondContact O-N 3.37Å; K1629-S1632 PolarHBondContact O-N 3.23Å; K1629-S1632 PolarHBondContact O-OG 3.38Å; R1630-S1632 VanDerWaalsContact C-N 3.26Å; R1630-S1632 PolarHBondContact O-N 3.03Å; S1632-S1634 PolarHBondContact O-N 2.99Å |
| 1633 | I | 83.1 | Confident | 81.3 | Confident | 85 Ų | 85 | 40.2 Ų | 40.2 | 44% | 0.436 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -69.8 | 121.2 | 174.6 | -56.6 | 171.5 | 0 | 0 | 0 | 110.1 | R1630 R1631 G1635 Y1636 | R1630-I1633 WeakPolarHBondContact O-CB 2.95Å; R1630-I1633 PolarHBondContact O-N 3.21Å; R1630-I1633 VanDerWaalsContact O-N 3.16Å; R1631-I1633 PolarHBondContact O-N 3.42Å; I1633-G1635 PolarHBondContact O-N 2.9Å; I1633-Y1636 VanDerWaalsContact O-CB 3.26Å; I1633-Y1636 WeakPolarHBondContact O-CB 3.45Å; I1633-Y1636 PolarHBondContact O-N 3.4Å; I1633-Y1636 VanDerWaalsContact O-N 3.1Å |
| 1634 | S | 75.9 | Confident | 79.9 | Confident | 119 Ų | 119 | 39.9 Ų | 39.9 | 83% | 0.832 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 129.2 | 177.4 | -173.1 | 0 | 0 | 0 | 0 | 111.7 | S1632 Y1636 | S1632-S1634 PolarHBondContact O-N 2.99Å; S1634-Y1636 VanDerWaalsContact C-N 3.28Å; S1634-Y1636 PolarHBondContact O-N 2.85Å |
| 1635 | G | 76.4 | Confident | 78.8 | Confident | 66 Ų | 66 | 42.4 Ų | 42.4 | 68% | 0.68 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.8 | 5.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | I1633 R1637 | I1633-G1635 PolarHBondContact O-N 2.9Å; G1635-R1637 PolarHBondContact O-N 2.85Å |
| 1636 | Y | 78.9 | Confident | 77.7 | Confident | 80 Ų | 80 | 42.8 Ų | 42.8 | 31% | 0.314 | 24% | 0.235 | S | C | . | . | trans | -60.1 | 131.2 | 174.7 | -177.7 | -101.6 | 0 | 0 | 0 | 111.3 | R1630 I1633 S1634 N1638 | R1630-Y1636 HydrophobicContact CB-CD1 4.23Å; R1630-Y1636 HydrophobicContact CB-CD2 4.2Å; R1630-Y1636 HydrophobicContact CB-CE1 3.91Å; R1630-Y1636 HydrophobicContact CB-CE2 3.89Å; R1630-Y1636 HydrophobicContact CB-CG 4.36Å; R1630-Y1636 HydrophobicContact CG-CE2 4.3Å; R1630-Y1636 WeakPolarHBondContact O-CB 3.23Å; R1630-Y1636 WeakPolarHBondContact O-CD1 3.12Å; I1633-Y1636 VanDerWaalsContact O-CB 3.26Å; I1633-Y1636 WeakPolarHBondContact O-CB 3.45Å; I1633-Y1636 PolarHBondContact O-N 3.4Å; I1633-Y1636 VanDerWaalsContact O-N 3.1Å; S1634-Y1636 VanDerWaalsContact C-N 3.28Å; S1634-Y1636 PolarHBondContact O-N 2.85Å; Y1636-N1638 WeakPolarHBondContact CE1-OD1 3.42Å | ||
| 1637 | R | 73.6 | Confident | 76.4 | Confident | 89 Ų | 89 | 43.1 Ų | 43.1 | 34% | 0.336 | 24% | 0.237 | S | C | . | . | trans | -125 | 139.8 | 176.4 | -65.4 | -175.5 | -175.8 | -119.9 | 7.1 | 109.3 | D1212 G1635 H1641 L1642 M1645 | D1212-R1637 IonicContact OD2-CZ 3.85Å; D1212-R1637 IonicContact OD2-NH1 2.84Å; D1212-R1637 PolarHBondContact OD2-NH1 2.81Å; D1212-R1637 IonicContact OD2-NH2 3.84Å; D1212-R1637 PolarHBondContact OD2-NH2 3.06Å; G1635-R1637 PolarHBondContact O-N 2.85Å; R1637-H1641 HydrophobicContact CB-CB 4.38Å; R1637-H1641 PolarHBondContact NH1-NE2 3.27Å; R1637-L1642 HydrophobicContact CB-CD2 3.92Å; R1637-L1642 HydrophobicContact CB-CG 4.04Å; R1637-M1645 PolarHBondContact NH1-SD 2.79Å | ||
| 1638 | N | 72.1 | Confident | 75.3 | Confident | 27 Ų | 27 | 43.1 Ų | 43.1 | 14% | 0.144 | 24% | 0.238 | C | C | . | . | trans | -66.8 | 155.6 | 179.9 | -68.6 | -26.4 | 0 | 0 | 0 | 111.3 | E1153 Y1636 H1640 H1641 L1642 | E1153-N1638 PolarHBondContact OE1-ND2 3.38Å; Y1636-N1638 WeakPolarHBondContact CE1-OD1 3.42Å; N1638-H1640 VanDerWaalsContact C-N 3.28Å; N1638-H1640 WeakPolarHBondContact CB-CE1 3.44Å; N1638-H1640 PolarHBondContact O-N 3.42Å; N1638-H1641 WeakPolarHBondContact O-CA 3.2Å; N1638-H1641 VanDerWaalsContact O-CB 3.31Å; N1638-H1641 WeakPolarHBondContact O-CB 3.34Å; N1638-H1641 PolarHBondContact O-N 3.32Å; N1638-L1642 PolarHBondContact O-N 3.38Å | ||
| 1639 | A | 71.3 | Confident | 74.5 | Confident | 16 Ų | 16 | 46.9 Ų | 46.9 | 13% | 0.132 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.4 | -40.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A1455 R1457 H1641 L1642 R1643 | A1455-A1639 HydrophobicContact CB-CB 4.09Å; A1455-A1639 WeakPolarHBondContact O-CB 3.39Å; R1457-A1639 VanDerWaalsContact O-CB 3.3Å; R1457-A1639 WeakPolarHBondContact O-CB 3.49Å; A1639-H1641 VanDerWaalsContact C-N 3.34Å; A1639-H1641 PolarHBondContact O-N 2.94Å; A1639-L1642 PolarHBondContact O-N 2.91Å; A1639-R1643 WeakPolarHBondContact O-CB 3.2Å; A1639-R1643 PolarHBondContact O-N 3.36Å |
| 1640 | H | 67.2 | Low | 73.6 | Confident | 40 Ų | 40 | 46.7 Ų | 46.7 | 19% | 0.185 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.2 | -34.5 | 176.4 | 62.6 | -95.9 | 0 | 0 | 0 | 112.3 | E1153 N1638 L1644 | E1153-H1640 IonicContact OE1-CE1 2.67Å; E1153-H1640 PolarHBondContact OE1-CE1 2.57Å; E1153-H1640 VanDerWaalsContact OE1-CE1 3.23Å; E1153-H1640 IonicContact OE1-NE2 3.21Å; E1153-H1640 PolarHBondContact OE1-NE2 2.9Å; N1638-H1640 VanDerWaalsContact C-N 3.28Å; N1638-H1640 WeakPolarHBondContact CB-CE1 3.44Å; N1638-H1640 PolarHBondContact O-N 3.42Å; H1640-L1644 PolarHBondContact O-N 3.4Å |
| 1641 | H | 67.4 | Low | 72.6 | Confident | 16 Ų | 16 | 47.1 Ų | 47.1 | 7% | 0.074 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.3 | -48.4 | 175.5 | -166.1 | 101.2 | 0 | 0 | 0 | 111 | V1216 R1637 N1638 A1639 R1643 L1644 M1645 | V1216-H1641 WeakPolarHBondContact CG2-ND1 3.21Å; R1637-H1641 HydrophobicContact CB-CB 4.38Å; R1637-H1641 PolarHBondContact NH1-NE2 3.27Å; N1638-H1641 WeakPolarHBondContact O-CA 3.2Å; N1638-H1641 VanDerWaalsContact O-CB 3.31Å; N1638-H1641 WeakPolarHBondContact O-CB 3.34Å; N1638-H1641 PolarHBondContact O-N 3.32Å; A1639-H1641 VanDerWaalsContact C-N 3.34Å; A1639-H1641 PolarHBondContact O-N 2.94Å; H1641-R1643 VanDerWaalsContact C-N 3.27Å; H1641-R1643 PolarHBondContact O-N 3.22Å; H1641-L1644 WeakPolarHBondContact O-CB 3.49Å; H1641-L1644 PolarHBondContact O-N 3.01Å; H1641-L1644 VanDerWaalsContact O-N 3.14Å; H1641-M1645 VanDerWaalsContact CD2-SD 3.59Å; H1641-M1645 WeakPolarHBondContact O-CG 3.33Å; H1641-M1645 PolarHBondContact O-N 2.88Å |
| 1642 | L | 72.7 | Confident | 71.9 | Confident | 80 Ų | 80 | 50.5 Ų | 50.5 | 42% | 0.419 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.1 | -43.4 | 176.2 | -69.8 | 174 | 0 | 0 | 0 | 111.1 | T1454 R1637 N1638 A1639 L1644 M1645 S1646 | T1454-L1642 HydrophobicContact CG2-CB 4.23Å; R1637-L1642 HydrophobicContact CB-CD2 3.92Å; R1637-L1642 HydrophobicContact CB-CG 4.04Å; N1638-L1642 PolarHBondContact O-N 3.38Å; A1639-L1642 PolarHBondContact O-N 2.91Å; L1642-L1644 VanDerWaalsContact C-N 3.34Å; L1642-L1644 PolarHBondContact O-N 2.79Å; L1642-M1645 PolarHBondContact O-N 3.37Å; L1642-S1646 PolarHBondContact O-N 2.77Å; L1642-S1646 PolarHBondContact O-OG 2.97Å; L1642-S1646 VanDerWaalsContact O-OG 3.1Å |
| 1643 | R | 71 | Confident | 71.3 | Confident | 17 Ų | 17 | 52.4 Ų | 52.4 | 6% | 0.064 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.6 | -38.8 | 177 | -166.7 | 176.5 | -178.1 | 94.5 | 12.8 | 112.3 | I1451 T1454 A1639 H1641 I1647 | I1451-R1643 HydrophobicContact CG2-CG 4.48Å; I1451-R1643 VanDerWaalsContact O-CZ 3.26Å; I1451-R1643 PolarHBondContact O-NH1 2.7Å; I1451-R1643 PolarHBondContact O-NH2 2.96Å; T1454-R1643 HydrophobicContact CG2-CB 3.97Å; T1454-R1643 PolarHBondContact O-NH1 3.28Å; A1639-R1643 WeakPolarHBondContact O-CB 3.2Å; A1639-R1643 PolarHBondContact O-N 3.36Å; H1641-R1643 VanDerWaalsContact C-N 3.27Å; H1641-R1643 PolarHBondContact O-N 3.22Å; R1643-I1647 HydrophobicContact CG-CD1 4.19Å; R1643-I1647 WeakPolarHBondContact O-CD1 3.39Å; R1643-I1647 VanDerWaalsContact O-CG1 3.25Å; R1643-I1647 WeakPolarHBondContact O-CG1 3.49Å; R1643-I1647 PolarHBondContact O-N 3.02Å |
| 1644 | L | 65 | Low | 70.2 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.016 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.8 | -48.8 | 173.3 | 176.8 | 73.7 | 0 | 0 | 0 | 110.7 | Q1215 I1219 S1279 H1640 H1641 L1642 S1646 I1647 S1648 | Q1215-L1644 HydrophobicContact CB-CD2 4.33Å; I1219-L1644 HydrophobicContact CD1-CB 4.22Å; I1219-L1644 HydrophobicContact CD1-CD1 3.93Å; I1219-L1644 HydrophobicContact CD1-CD2 3.5Å; I1219-L1644 HydrophobicContact CD1-CG 4.07Å; S1279-L1644 WeakPolarHBondContact OG-CD1 3.29Å; H1640-L1644 PolarHBondContact O-N 3.4Å; H1641-L1644 WeakPolarHBondContact O-CB 3.49Å; H1641-L1644 PolarHBondContact O-N 3.01Å; H1641-L1644 VanDerWaalsContact O-N 3.14Å; L1642-L1644 VanDerWaalsContact C-N 3.34Å; L1642-L1644 PolarHBondContact O-N 2.79Å; L1644-S1646 VanDerWaalsContact C-N 3.31Å; L1644-S1646 PolarHBondContact O-N 3.01Å; L1644-I1647 WeakPolarHBondContact O-CB 3.47Å; L1644-I1647 PolarHBondContact O-N 2.96Å; L1644-I1647 VanDerWaalsContact O-N 3.11Å; L1644-S1648 WeakPolarHBondContact O-CB 3.15Å; L1644-S1648 PolarHBondContact O-N 2.68Å; L1644-S1648 PolarHBondContact O-OG 2.76Å |
| 1645 | M | 70.3 | Confident | 69.2 | Low | 56 Ų | 56 | 46.5 Ų | 46.5 | 28% | 0.276 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.6 | -45.2 | 180 | -67.8 | -172.1 | 113.6 | 0 | 0 | 111 | R1637 H1641 L1642 I1647 S1648 E1649 | R1637-M1645 PolarHBondContact NH1-SD 2.79Å; H1641-M1645 VanDerWaalsContact CD2-SD 3.59Å; H1641-M1645 WeakPolarHBondContact O-CG 3.33Å; H1641-M1645 PolarHBondContact O-N 2.88Å; L1642-M1645 PolarHBondContact O-N 3.37Å; M1645-I1647 VanDerWaalsContact C-N 3.32Å; M1645-I1647 PolarHBondContact O-N 3.48Å; M1645-S1648 WeakPolarHBondContact O-CB 3.22Å; M1645-S1648 PolarHBondContact O-N 2.71Å; M1645-S1648 VanDerWaalsContact O-N 3.09Å; M1645-E1649 WeakPolarHBondContact O-CG 3.38Å; M1645-E1649 PolarHBondContact O-N 2.89Å |
| 1646 | S | 72.1 | Confident | 68.1 | Low | 7 Ų | 7 | 51.8 Ų | 51.8 | 5% | 0.049 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.9 | -36.9 | 176 | -53.3 | 0 | 0 | 0 | 0 | 113.5 | H1450 L1642 L1644 M1650 | H1450-S1646 PolarHBondContact CD2-OG 3.45Å; H1450-S1646 PolarHBondContact NE2-OG 3.49Å; L1642-S1646 PolarHBondContact O-N 2.77Å; L1642-S1646 PolarHBondContact O-OG 2.97Å; L1642-S1646 VanDerWaalsContact O-OG 3.1Å; L1644-S1646 VanDerWaalsContact C-N 3.31Å; L1644-S1646 PolarHBondContact O-N 3.01Å; S1646-M1650 WeakPolarHBondContact O-CB 3.4Å; S1646-M1650 PolarHBondContact O-N 3.23Å |
| 1647 | I | 67.6 | Low | 66.9 | Low | 7 Ų | 7 | 52.9 Ų | 52.9 | 4% | 0.036 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.1 | -39.3 | 174.7 | -71.1 | 165.6 | 0 | 0 | 0 | 110.3 | I1278 I1451 R1643 L1644 M1645 M1650 I1651 | I1278-I1647 HydrophobicContact CG2-CG2 4.3Å; I1451-I1647 HydrophobicContact CD1-CG1 3.96Å; I1451-I1647 HydrophobicContact CG1-CG1 4.27Å; I1451-I1647 HydrophobicContact CG2-CG1 4.15Å; R1643-I1647 HydrophobicContact CG-CD1 4.19Å; R1643-I1647 WeakPolarHBondContact O-CD1 3.39Å; R1643-I1647 VanDerWaalsContact O-CG1 3.25Å; R1643-I1647 WeakPolarHBondContact O-CG1 3.49Å; R1643-I1647 PolarHBondContact O-N 3.02Å; L1644-I1647 WeakPolarHBondContact O-CB 3.47Å; L1644-I1647 PolarHBondContact O-N 2.96Å; L1644-I1647 VanDerWaalsContact O-N 3.11Å; M1645-I1647 VanDerWaalsContact C-N 3.32Å; M1645-I1647 PolarHBondContact O-N 3.48Å; I1647-M1650 PolarHBondContact O-N 2.89Å; I1647-I1651 HydrophobicContact CG2-CD1 3.75Å; I1647-I1651 WeakPolarHBondContact O-CG1 3.06Å; I1647-I1651 PolarHBondContact O-N 3.13Å |
| 1648 | S | 66.3 | Low | 65.9 | Low | 12 Ų | 12 | 50.7 Ų | 50.7 | 8% | 0.084 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.7 | -45.3 | -178.2 | -53.2 | 0 | 0 | 0 | 0 | 111.2 | Q1275 L1644 M1645 M1650 I1651 Q1652 | Q1275-S1648 VanDerWaalsContact CD-OG 3.3Å; Q1275-S1648 PolarHBondContact NE2-O 3.12Å; Q1275-S1648 PolarHBondContact OE1-OG 3.27Å; L1644-S1648 WeakPolarHBondContact O-CB 3.15Å; L1644-S1648 PolarHBondContact O-N 2.68Å; L1644-S1648 PolarHBondContact O-OG 2.76Å; M1645-S1648 WeakPolarHBondContact O-CB 3.22Å; M1645-S1648 PolarHBondContact O-N 2.71Å; M1645-S1648 VanDerWaalsContact O-N 3.09Å; S1648-M1650 VanDerWaalsContact C-N 3.31Å; S1648-M1650 PolarHBondContact O-N 3.32Å; S1648-I1651 PolarHBondContact O-N 2.75Å; S1648-I1651 VanDerWaalsContact O-N 3.13Å; S1648-Q1652 WeakPolarHBondContact O-CG 2.89Å; S1648-Q1652 PolarHBondContact O-N 3.39Å |
| 1649 | E | 73.3 | Confident | 65.2 | Low | 95 Ų | 95 | 52.7 Ų | 52.7 | 44% | 0.444 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -56.1 | -45 | 171.4 | -72.9 | 171.7 | 179.7 | 0 | 0 | 111.3 | M1645 I1651 Q1652 E1653 | M1645-E1649 WeakPolarHBondContact O-CG 3.38Å; M1645-E1649 PolarHBondContact O-N 2.89Å; E1649-I1651 VanDerWaalsContact C-N 3.32Å; E1649-I1651 PolarHBondContact O-N 2.91Å; E1649-Q1652 PolarHBondContact O-N 3.37Å; E1649-E1653 WeakPolarHBondContact O-CG 3.36Å; E1649-E1653 PolarHBondContact O-N 3.45Å; E1649-E1653 VanDerWaalsContact O-N 3.16Å |
| 1650 | M | 71.4 | Confident | 64.4 | Low | 21 Ų | 21 | 55.6 Ų | 55.6 | 10% | 0.103 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.1 | -36 | 177.6 | -174.4 | -173.1 | 71.7 | 0 | 0 | 112.6 | L1438 H1447 F1448 I1451 S1646 I1647 S1648 A1654 | L1438-M1650 HydrophobicContact CD1-CE 4.29Å; H1447-M1650 HydrophobicContact CB-CB 4.02Å; H1447-M1650 HydrophobicContact CB-CG 3.78Å; H1447-M1650 HydrophobicContact CB-SD 4.05Å; F1448-M1650 HydrophobicContact CD1-SD 4.13Å; F1448-M1650 HydrophobicContact CD2-SD 4.47Å; F1448-M1650 HydrophobicContact CE1-CE 4.15Å; F1448-M1650 HydrophobicContact CE1-SD 3.86Å; F1448-M1650 HydrophobicContact CE2-SD 4.21Å; F1448-M1650 HydrophobicContact CG-SD 4.42Å; F1448-M1650 HydrophobicContact CZ-CE 4.3Å; F1448-M1650 HydrophobicContact CZ-SD 3.91Å; I1451-M1650 HydrophobicContact CD1-CB 4.21Å; I1451-M1650 HydrophobicContact CD1-CE 4.06Å; I1451-M1650 HydrophobicContact CD1-SD 3.62Å; S1646-M1650 WeakPolarHBondContact O-CB 3.4Å; S1646-M1650 PolarHBondContact O-N 3.23Å; I1647-M1650 PolarHBondContact O-N 2.89Å; S1648-M1650 VanDerWaalsContact C-N 3.31Å; S1648-M1650 PolarHBondContact O-N 3.32Å; M1650-A1654 PolarHBondContact O-N 2.84Å |
| 1651 | I | 66 | Low | 63.9 | Low | 33 Ų | 33 | 57.4 Ų | 57.4 | 17% | 0.169 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -72.6 | -40.2 | 178.5 | -73.5 | 165.3 | 0 | 0 | 0 | 111 | Q1275 I1278 I1647 S1648 E1649 E1653 A1654 | Q1275-I1651 HydrophobicContact CB-CD1 4.43Å; Q1275-I1651 HydrophobicContact CG-CB 4.37Å; Q1275-I1651 HydrophobicContact CG-CD1 3.6Å; Q1275-I1651 HydrophobicContact CG-CG2 4.35Å; I1278-I1651 HydrophobicContact CD1-CD1 4.11Å; I1647-I1651 HydrophobicContact CG2-CD1 3.75Å; I1647-I1651 WeakPolarHBondContact O-CG1 3.06Å; I1647-I1651 PolarHBondContact O-N 3.13Å; S1648-I1651 PolarHBondContact O-N 2.75Å; S1648-I1651 VanDerWaalsContact O-N 3.13Å; E1649-I1651 VanDerWaalsContact C-N 3.32Å; E1649-I1651 PolarHBondContact O-N 2.91Å; I1651-E1653 PolarHBondContact O-N 3.27Å; I1651-A1654 VanDerWaalsContact O-CB 3.23Å; I1651-A1654 WeakPolarHBondContact O-CB 3.31Å; I1651-A1654 PolarHBondContact O-N 3.02Å |
| 1652 | Q | 67.7 | Low | 63.4 | Low | 131 Ų | 131 | 60.7 Ų | 60.7 | 61% | 0.612 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.5 | -30.7 | 176.3 | -73.8 | 178.3 | -3.4 | 0 | 0 | 112.6 | S1648 E1649 A1654 | S1648-Q1652 WeakPolarHBondContact O-CG 2.89Å; S1648-Q1652 PolarHBondContact O-N 3.39Å; E1649-Q1652 PolarHBondContact O-N 3.37Å; Q1652-A1654 VanDerWaalsContact C-N 3.35Å |
| 1653 | E | 68.1 | Low | 62.5 | Low | 101 Ų | 101 | 57.1 Ų | 57.1 | 47% | 0.472 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -7.3 | 175 | -67.5 | -173.2 | 172.6 | 0 | 0 | 113.9 | Q1443 H1447 E1649 I1651 | Q1443-E1653 VanDerWaalsContact CD-OE2 3.23Å; Q1443-E1653 WeakPolarHBondContact CG-OE2 3.47Å; Q1443-E1653 PolarHBondContact NE2-OE1 2.93Å; Q1443-E1653 PolarHBondContact NE2-OE2 3.29Å; H1447-E1653 IonicContact CD2-OE2 3.62Å; H1447-E1653 IonicContact CE1-OE2 2.94Å; H1447-E1653 IonicContact NE2-OE1 3.39Å; H1447-E1653 IonicContact NE2-OE2 3.21Å; H1447-E1653 PolarHBondContact NE2-OE2 3.28Å; E1649-E1653 WeakPolarHBondContact O-CG 3.36Å; E1649-E1653 PolarHBondContact O-N 3.45Å; E1649-E1653 VanDerWaalsContact O-N 3.16Å; I1651-E1653 PolarHBondContact O-N 3.27Å |
| 1654 | A | 60.9 | Low | 61.7 | Low | 27 Ų | 27 | 59.5 Ų | 59.5 | 22% | 0.223 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -68.9 | 136.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | V1436 L1438 M1650 I1651 Q1652 | V1436-A1654 HydrophobicContact CG1-CB 4.26Å; L1438-A1654 HydrophobicContact CD2-CB 3.54Å; M1650-A1654 PolarHBondContact O-N 2.84Å; I1651-A1654 VanDerWaalsContact O-CB 3.23Å; I1651-A1654 WeakPolarHBondContact O-CB 3.31Å; I1651-A1654 PolarHBondContact O-N 3.02Å; Q1652-A1654 VanDerWaalsContact C-N 3.35Å |
| 1655 | P | 54 | Low | 61.4 | Low | 53 Ų | 53 | 63 Ų | 63 | 34% | 0.344 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 152.8 | 176.8 | 24.3 | -31.6 | 0 | 0 | 0 | 111.9 | D1439 | D1439-P1655 HydrophobicContact CB-CG 4.37Š|
| 1656 | Q | 54 | Low | 60.4 | Low | 176 Ų | 176 | 62.2 Ų | 62.2 | 82% | 0.822 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -50 | 148.3 | -178.7 | -76.5 | -156.7 | -8.9 | 0 | 0 | 112.9 | T1658 | Q1656-T1658 PolarHBondContact O-N 3.43Š|
| 1657 | P | 53.7 | Low | 59.3 | Low | 103 Ų | 103 | 67.6 Ų | 67.6 | 67% | 0.669 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -48.6 | 123.4 | -173.8 | 15.6 | -30.3 | 0 | 0 | 0 | 112.2 | ||
| 1658 | T | 52.8 | Low | 58.4 | Low | 44 Ų | 44 | 77 Ų | 77 | 27% | 0.27 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -80.6 | 139.6 | 179.5 | 26.3 | 0 | 0 | 0 | 0 | 110 | L1437 Q1656 | L1437-T1658 WeakPolarHBondContact CB-OG1 3.42Å; Q1656-T1658 PolarHBondContact O-N 3.43Å |
| 1659 | S | 57.1 | Low | 57.4 | Low | 69 Ų | 69 | 79.8 Ų | 79.8 | 48% | 0.483 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 144.7 | 179.7 | 66 | 0 | 0 | 0 | 0 | 111 | S1661 H1662 I1663 | S1659-S1661 PolarHBondContact O-N 3.03Å; S1659-S1661 PolarHBondContact OG-OG 3.36Å; S1659-H1662 WeakPolarHBondContact O-CA 3.4Å; S1659-H1662 VanDerWaalsContact O-CB 3.25Å; S1659-H1662 WeakPolarHBondContact O-CB 3.22Å; S1659-H1662 PolarHBondContact O-N 3.04Å; S1659-I1663 PolarHBondContact O-N 3.27Å; S1659-I1663 VanDerWaalsContact O-N 3.12Å |
| 1660 | L | 54.2 | Low | 56 | Low | 76 Ų | 76 | 79.9 Ų | 79.9 | 40% | 0.398 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -47.4 | -40.3 | 176.4 | 176.3 | 65 | 0 | 0 | 0 | 112.6 | L1432 H1662 I1663 L1664 | L1432-L1660 HydrophobicContact CB-CD1 4.21Å; L1432-L1660 HydrophobicContact CD1-CD1 3.77Å; L1432-L1660 HydrophobicContact CD2-CD1 3.62Å; L1432-L1660 HydrophobicContact CG-CD1 4.03Å; L1660-H1662 VanDerWaalsContact C-N 3.28Å; L1660-H1662 PolarHBondContact O-N 3.49Å; L1660-I1663 PolarHBondContact O-N 3.47Å; L1660-L1664 HydrophobicContact CD1-CD1 3.95Å; L1660-L1664 HydrophobicContact CD1-CG 4.06Å; L1660-L1664 HydrophobicContact CD2-CD1 4.49Å; L1660-L1664 HydrophobicContact CG-CD1 3.89Å; L1660-L1664 HydrophobicContact CG-CG 4.38Å; L1660-L1664 WeakPolarHBondContact O-CB 3.32Å; L1660-L1664 WeakPolarHBondContact O-CG 3.37Å; L1660-L1664 PolarHBondContact O-N 3.05Å |
| 1661 | S | 57.2 | Low | 54.5 | Low | 78 Ų | 78 | 85 Ų | 85 | 55% | 0.545 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -58.2 | -39.2 | 175 | 56.7 | 0 | 0 | 0 | 0 | 112.5 | S1659 T1665 | S1659-S1661 PolarHBondContact O-N 3.03Å; S1659-S1661 PolarHBondContact OG-OG 3.36Å; S1661-T1665 WeakPolarHBondContact O-CB 3.27Å; S1661-T1665 PolarHBondContact O-N 3.28Å; S1661-T1665 PolarHBondContact O-OG1 2.99Å |
| 1662 | H | 57.1 | Low | 53.3 | Low | 85 Ų | 85 | 89.1 Ų | 89.1 | 39% | 0.394 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -72.1 | -44.1 | 179.5 | -163.8 | 76.1 | 0 | 0 | 0 | 111.5 | S1659 L1660 T1665 N1666 | S1659-H1662 WeakPolarHBondContact O-CA 3.4Å; S1659-H1662 VanDerWaalsContact O-CB 3.25Å; S1659-H1662 WeakPolarHBondContact O-CB 3.22Å; S1659-H1662 PolarHBondContact O-N 3.04Å; L1660-H1662 VanDerWaalsContact C-N 3.28Å; L1660-H1662 PolarHBondContact O-N 3.49Å; H1662-T1665 PolarHBondContact O-N 3.45Å; H1662-N1666 PolarHBondContact CD2-ND2 3.39Å; H1662-N1666 PolarHBondContact NE2-ND2 3.3Å; H1662-N1666 WeakPolarHBondContact O-CB 3.24Å; H1662-N1666 PolarHBondContact O-N 3.46Å |
| 1663 | I | 53.3 | Low | 51.9 | Low | 5 Ų | 5 | 87.5 Ų | 87.5 | 3% | 0.026 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -59.6 | -49.7 | 176 | -64.4 | 171.2 | 0 | 0 | 0 | 110.6 | V1435 L1437 S1659 L1660 N1666 L1667 | V1435-I1663 WeakPolarHBondContact O-CD1 3.45Å; L1437-I1663 HydrophobicContact CB-CG1 4.41Å; S1659-I1663 PolarHBondContact O-N 3.27Å; S1659-I1663 VanDerWaalsContact O-N 3.12Å; L1660-I1663 PolarHBondContact O-N 3.47Å; I1663-N1666 PolarHBondContact O-N 3.23Å; I1663-L1667 HydrophobicContact CG2-CD1 3.87Å; I1663-L1667 WeakPolarHBondContact O-CB 3.36Å; I1663-L1667 PolarHBondContact O-N 3.3Å |
| 1664 | L | 54.3 | Low | 50.4 | Low | 68 Ų | 68 | 88.2 Ų | 88.2 | 36% | 0.356 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 177.1 | -68.3 | 174.2 | 0 | 0 | 0 | 111.5 | L1660 N1666 L1667 Y1668 | L1660-L1664 HydrophobicContact CD1-CD1 3.95Å; L1660-L1664 HydrophobicContact CD1-CG 4.06Å; L1660-L1664 HydrophobicContact CD2-CD1 4.49Å; L1660-L1664 HydrophobicContact CG-CD1 3.89Å; L1660-L1664 HydrophobicContact CG-CG 4.38Å; L1660-L1664 WeakPolarHBondContact O-CB 3.32Å; L1660-L1664 WeakPolarHBondContact O-CG 3.37Å; L1660-L1664 PolarHBondContact O-N 3.05Å; L1664-N1666 VanDerWaalsContact C-N 3.34Å; L1664-N1666 PolarHBondContact O-N 3.49Å; L1664-L1667 PolarHBondContact O-N 3.05Å; L1664-Y1668 HydrophobicContact CB-CD2 4.48Å; L1664-Y1668 HydrophobicContact CD2-CD2 4.5Å; L1664-Y1668 HydrophobicContact CD2-CE2 4.12Å; L1664-Y1668 WeakPolarHBondContact O-CB 3.41Å; L1664-Y1668 VanDerWaalsContact O-CD2 3.31Å; L1664-Y1668 WeakPolarHBondContact O-CD2 3.36Å; L1664-Y1668 PolarHBondContact O-N 3.49Å |
| 1665 | T | 57.8 | Low | 49.4 | Very low | 77 Ų | 77 | 95.8 Ų | 95.8 | 47% | 0.472 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 177.2 | -58.7 | 0 | 0 | 0 | 0 | 111 | S1661 H1662 S1669 | S1661-T1665 WeakPolarHBondContact O-CB 3.27Å; S1661-T1665 PolarHBondContact O-N 3.28Å; S1661-T1665 PolarHBondContact O-OG1 2.99Å; H1662-T1665 PolarHBondContact O-N 3.45Å; T1665-S1669 CarbonylContact O-C 3.36Å; T1665-S1669 VanDerWaalsContact O-CA 3.27Å; T1665-S1669 WeakPolarHBondContact O-CA 3.1Å; T1665-S1669 VanDerWaalsContact O-CB 3.32Å; T1665-S1669 WeakPolarHBondContact O-CB 3.24Å; T1665-S1669 PolarHBondContact O-N 3.45Å |
| 1666 | N | 49 | Very low | 48.6 | Very low | 39 Ų | 39 | 97.5 Ų | 97.5 | 21% | 0.209 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -73.5 | -32.5 | 179.2 | -69.3 | -16.5 | 0 | 0 | 0 | 112.9 | L1437 H1662 I1663 L1664 S1669 P1670 | L1437-N1666 HydrophobicContact CD2-CB 4.35Å; L1437-N1666 WeakPolarHBondContact CD2-ND2 3.42Å; H1662-N1666 PolarHBondContact CD2-ND2 3.39Å; H1662-N1666 PolarHBondContact NE2-ND2 3.3Å; H1662-N1666 WeakPolarHBondContact O-CB 3.24Å; H1662-N1666 PolarHBondContact O-N 3.46Å; I1663-N1666 PolarHBondContact O-N 3.23Å; L1664-N1666 VanDerWaalsContact C-N 3.34Å; L1664-N1666 PolarHBondContact O-N 3.49Å; N1666-S1669 CarbonylContact O-C 3.26Å; N1666-P1670 WeakPolarHBondContact O-CA 3.22Å; N1666-P1670 VanDerWaalsContact O-N 3.16Å |
| 1667 | L | 49.3 | Very low | 47.5 | Very low | 120 Ų | 120 | 95.7 Ų | 95.7 | 63% | 0.628 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -69 | -43.4 | 174 | -92.2 | 160 | 0 | 0 | 0 | 112.4 | I1663 L1664 | I1663-L1667 HydrophobicContact CG2-CD1 3.87Å; I1663-L1667 WeakPolarHBondContact O-CB 3.36Å; I1663-L1667 PolarHBondContact O-N 3.3Å; L1664-L1667 PolarHBondContact O-N 3.05Å |
| 1668 | Y | 48.3 | Very low | 46.6 | Very low | 205 Ų | 205 | 97 Ų | 97 | 80% | 0.804 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -86.6 | -23.3 | -178.6 | -78.2 | -78.2 | 0 | 0 | 0 | 113.4 | L1664 | L1664-Y1668 HydrophobicContact CB-CD2 4.48Å; L1664-Y1668 HydrophobicContact CD2-CD2 4.5Å; L1664-Y1668 HydrophobicContact CD2-CE2 4.12Å; L1664-Y1668 WeakPolarHBondContact O-CB 3.41Å; L1664-Y1668 VanDerWaalsContact O-CD2 3.31Å; L1664-Y1668 WeakPolarHBondContact O-CD2 3.36Å; L1664-Y1668 PolarHBondContact O-N 3.49Å |
| 1669 | S | 45.4 | Very low | 45.4 | Very low | 69 Ų | 69 | 104.8 Ų | 104.8 | 48% | 0.483 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -138.1 | 75.1 | 176.5 | -165.4 | 0 | 0 | 0 | 0 | 110.1 | T1665 N1666 I1671 | T1665-S1669 CarbonylContact O-C 3.36Å; T1665-S1669 VanDerWaalsContact O-CA 3.27Å; T1665-S1669 WeakPolarHBondContact O-CA 3.1Å; T1665-S1669 VanDerWaalsContact O-CB 3.32Å; T1665-S1669 WeakPolarHBondContact O-CB 3.24Å; T1665-S1669 PolarHBondContact O-N 3.45Å; N1666-S1669 CarbonylContact O-C 3.26Å; S1669-I1671 PolarHBondContact O-N 3.37Å |
| 1670 | P | 44 | Very low | 44.9 | Very low | 97 Ų | 97 | 106.6 Ų | 106.6 | 63% | 0.63 | 62% | 0.618 | S | S | * | * | trans | -65 | 100.7 | 177.1 | 24.3 | -31.7 | 0 | 0 | 0 | 109.3 | N1666 V1672 | N1666-P1670 WeakPolarHBondContact O-CA 3.22Å; N1666-P1670 VanDerWaalsContact O-N 3.16Å; P1670-V1672 PolarHBondContact O-N 2.77Å; P1670-V1672 VanDerWaalsContact O-N 3.13Å | ||
| 1671 | I | 41 | Very low | 44.4 | Very low | 129 Ų | 129 | 108.2 Ų | 108.2 | 66% | 0.662 | 63% | 0.63 | S | S | * | * | trans | -70 | 109 | 173.2 | -58.6 | 174 | 0 | 0 | 0 | 106.3 | S1669 P1673 | S1669-I1671 PolarHBondContact O-N 3.37Å; I1671-P1673 VanDerWaalsContact O-CD 3.24Å; I1671-P1673 WeakPolarHBondContact O-CD 3.32Å | ||
| 1672 | V | 40.4 | Very low | 43.6 | Very low | 119 Ų | 119 | 109.8 Ų | 109.8 | 72% | 0.721 | 63% | 0.634 | S | S | * | * | trans | -63.9 | 115.4 | 169.3 | -179.6 | 0 | 0 | 0 | 0 | 106.6 | P1670 T1674 | P1670-V1672 PolarHBondContact O-N 2.77Å; P1670-V1672 VanDerWaalsContact O-N 3.13Å; V1672-T1674 PolarHBondContact O-N 3.37Å | ||
| 1673 | P | 38.1 | Very low | 42.9 | Very low | 97 Ų | 97 | 111.3 Ų | 111.3 | 63% | 0.63 | 65% | 0.648 | S | S | * | * | trans | -66.2 | 101.4 | -177.8 | 24.8 | -30.3 | 0 | 0 | 0 | 108.6 | I1671 L1675 | I1671-P1673 VanDerWaalsContact O-CD 3.24Å; I1671-P1673 WeakPolarHBondContact O-CD 3.32Å; P1673-L1675 PolarHBondContact O-N 2.94Å | ||
| 1674 | T | 37.1 | Very low | 42.2 | Very low | 117 Ų | 117 | 117.9 Ų | 117.9 | 72% | 0.718 | 69% | 0.687 | S | S | * | * | trans | -66.7 | 118.8 | 169.3 | 47.7 | 0 | 0 | 0 | 0 | 107.6 | V1672 S1676 | V1672-T1674 PolarHBondContact O-N 3.37Å; T1674-S1676 PolarHBondContact O-N 3.13Å | ||
| 1675 | L | 39.2 | Very low | 41.4 | Very low | 185 Ų | 185 | 121.3 Ų | 121.3 | 97% | 0.969 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -53.3 | 77 | 175.4 | -82.1 | 147.7 | 0 | 0 | 0 | 112.3 | P1673 | P1673-L1675 PolarHBondContact O-N 2.94Š|
| 1676 | S | 36.6 | Very low | 40.2 | Very low | 89 Ų | 89 | 124.4 Ų | 124.4 | 62% | 0.622 | 73% | 0.726 | S | S | * | * | trans | -174.4 | 82.3 | 163.9 | 57.1 | 0 | 0 | 0 | 0 | 110 | T1674 | T1674-S1676 PolarHBondContact O-N 3.13Š| ||
| 1677 | T | 31.8 | Very low | 39.6 | Very low | 139 Ų | 139 | 131 Ų | 131 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | -178 | 122.5 | 136.3 | 19.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1678 | P | 34.1 | Very low | 38.7 | Very low | 129 Ų | 129 | 131.9 Ų | 131.9 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | trans | -81.1 | 118.5 | 175.7 | 30.9 | -27.9 | 0 | 0 | 0 | 109.6 | ||||
| 1679 | C | 28.9 | Very low | 37.9 | Very low | 208 Ų | 208 | 125.3 Ų | 125.3 | 100% | 1.405 | 78% | 0.775 | S | S | * | * | trans | -152.4 | 0 | 145.1 | -92.1 | 0 | 0 | 0 | 0 | 107 |
Retrieved 1,679 of 1,679 residues in 690.5 ms
(Link to these results)