| 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 | 41 | Very low | 48.9 | Very low | 239 Ų | 239 | 152.7 Ų | 152.7 | 100% | 1.177 | 75% | 0.75 | S | S | * | * | 0 | 65.5 | 0 | -172.7 | -177.1 | -120.4 | 0 | 0 | 106.2 | |||||
| 2 | E | 37.7 | Very low | 50.5 | Low | 171 Ų | 171 | 148.7 Ų | 148.7 | 80% | 0.799 | 73% | 0.732 | S | S | * | * | trans | -138.3 | 19.2 | -158.3 | -69.7 | 169.2 | 141.2 | 0 | 0 | 112.4 | ||||
| 3 | L | 41.1 | Very low | 51.8 | Low | 158 Ų | 158 | 144.7 Ų | 144.7 | 83% | 0.827 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -93.3 | 1.4 | -178.5 | -70.4 | 173.9 | 0 | 0 | 0 | 113.9 | ||
| 4 | Y | 46 | Very low | 53.5 | Low | 238 Ų | 238 | 138.8 Ų | 138.8 | 93% | 0.933 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -98.3 | -7.6 | -176.7 | -91.7 | -83.3 | 0 | 0 | 0 | 115.2 | ||
| 5 | E | 47.3 | Very low | 54.6 | Low | 178 Ų | 178 | 133.7 Ų | 133.7 | 83% | 0.832 | 68% | 0.675 | S | S | * | * | trans | -101.2 | 3.6 | 178.6 | -71.9 | -174.7 | 134.3 | 0 | 0 | 114.1 | T7 | E5-T7 PolarHBondContact O-N 3.4Å; E5-T7 VanDerWaalsContact O-N 3.07Å | ||
| 6 | S | 43.9 | Very low | 56.2 | Low | 60 Ų | 60 | 130.1 Ų | 130.1 | 42% | 0.42 | 66% | 0.662 | S | S | . | * | trans | -72.6 | 105.9 | 179.2 | -169.6 | 0 | 0 | 0 | 0 | 111 | Y8 F9 | S6-Y8 PolarHBondContact O-N 3.28Å; S6-Y8 WeakPolarHBondContact OG-CD2 3.49Å; S6-F9 PolarHBondContact O-N 3.15Å | ||
| 7 | T | 51.3 | Low | 57.7 | Low | 110 Ų | 110 | 126.8 Ų | 126.8 | 68% | 0.675 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.5 | -20.7 | -177.8 | -31.8 | 0 | 0 | 0 | 0 | 113.6 | E5 F9 V10 | E5-T7 PolarHBondContact O-N 3.4Å; E5-T7 VanDerWaalsContact O-N 3.07Å; T7-F9 VanDerWaalsContact C-N 3.27Å; T7-F9 PolarHBondContact O-N 3.3Å; T7-V10 PolarHBondContact O-N 3.3Å |
| 8 | Y | 54.3 | Low | 58.9 | Low | 184 Ų | 184 | 124.8 Ų | 124.8 | 72% | 0.722 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -58 | -32.7 | 173.9 | -69.2 | -89.9 | 0 | 0 | 0 | 113.6 | S6 V10 V11 L12 | S6-Y8 PolarHBondContact O-N 3.28Å; S6-Y8 WeakPolarHBondContact OG-CD2 3.49Å; Y8-V10 VanDerWaalsContact C-N 3.31Å; Y8-V10 PolarHBondContact O-N 3.21Å; Y8-V11 PolarHBondContact O-N 2.91Å; Y8-L12 VanDerWaalsContact O-CB 3.26Å; Y8-L12 WeakPolarHBondContact O-CB 3.37Å; Y8-L12 PolarHBondContact O-N 3.39Å |
| 9 | F | 54.6 | Low | 60.1 | Low | 127 Ų | 127 | 122.1 Ų | 122.1 | 56% | 0.557 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -66 | -33 | -179.2 | -116 | -85.8 | 0 | 0 | 0 | 113 | S6 T7 V11 I13 | S6-F9 PolarHBondContact O-N 3.15Å; T7-F9 VanDerWaalsContact C-N 3.27Å; T7-F9 PolarHBondContact O-N 3.3Å; F9-V11 VanDerWaalsContact C-N 3.27Å; F9-V11 PolarHBondContact O-N 3.46Å; F9-I13 HydrophobicContact CD1-CD1 3.71Å; F9-I13 HydrophobicContact CD1-CG1 4.04Å; F9-I13 HydrophobicContact CE1-CD1 4.13Å; F9-I13 HydrophobicContact CE1-CG1 4.38Å; F9-I13 PolarHBondContact O-N 3.23Å |
| 10 | V | 57.6 | Low | 61.1 | Low | 112 Ų | 112 | 120.3 Ų | 120.3 | 68% | 0.679 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.1 | -24.8 | 177.8 | -178.1 | 0 | 0 | 0 | 0 | 112.1 | T7 Y8 P14 | T7-V10 PolarHBondContact O-N 3.3Å; Y8-V10 VanDerWaalsContact C-N 3.31Å; Y8-V10 PolarHBondContact O-N 3.21Å; V10-P14 WeakPolarHBondContact O-CD 3.47Å; V10-P14 VanDerWaalsContact O-CG 3.25Å; V10-P14 WeakPolarHBondContact O-CG 3.48Å |
| 11 | V | 62.7 | Low | 61.8 | Low | 103 Ų | 103 | 118.3 Ų | 118.3 | 62% | 0.624 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -95.9 | -35.8 | 177.1 | -176.5 | 0 | 0 | 0 | 0 | 111.5 | Y8 F9 S15 | Y8-V11 PolarHBondContact O-N 2.91Å; F9-V11 VanDerWaalsContact C-N 3.27Å; F9-V11 PolarHBondContact O-N 3.46Å; V11-S15 WeakPolarHBondContact O-CB 3.49Å; V11-S15 PolarHBondContact O-N 3.42Å; V11-S15 VanDerWaalsContact O-N 3.14Å |
| 12 | L | 68.1 | Low | 63.3 | Low | 104 Ų | 104 | 113.9 Ų | 113.9 | 55% | 0.545 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -69.7 | -41.4 | -176.6 | -160.8 | 75.1 | 0 | 0 | 0 | 112 | Y8 S15 V16 | Y8-L12 VanDerWaalsContact O-CB 3.26Å; Y8-L12 WeakPolarHBondContact O-CB 3.37Å; Y8-L12 PolarHBondContact O-N 3.39Å; L12-S15 PolarHBondContact O-N 3.48Å; L12-V16 HydrophobicContact CG-CG2 4.37Å; L12-V16 WeakPolarHBondContact O-CB 3.3Å; L12-V16 VanDerWaalsContact O-CG2 3.31Å; L12-V16 WeakPolarHBondContact O-CG2 3.33Å; L12-V16 PolarHBondContact O-N 2.99Å |
| 13 | I | 68.3 | Low | 65 | Low | 97 Ų | 97 | 109.9 Ų | 109.9 | 50% | 0.497 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.1 | -52.9 | 178.5 | -70.1 | 173.6 | 0 | 0 | 0 | 111.3 | F9 S15 V16 V17 | F9-I13 HydrophobicContact CD1-CD1 3.71Å; F9-I13 HydrophobicContact CD1-CG1 4.04Å; F9-I13 HydrophobicContact CE1-CD1 4.13Å; F9-I13 HydrophobicContact CE1-CG1 4.38Å; F9-I13 PolarHBondContact O-N 3.23Å; I13-S15 VanDerWaalsContact C-N 3.3Å; I13-S15 PolarHBondContact O-N 3.14Å; I13-V16 PolarHBondContact O-N 3.02Å; I13-V17 HydrophobicContact CG2-CG2 4.34Å; I13-V17 WeakPolarHBondContact O-CB 3.15Å; I13-V17 VanDerWaalsContact O-CG2 3.32Å; I13-V17 WeakPolarHBondContact O-CG2 3.49Å; I13-V17 PolarHBondContact O-N 2.81Å |
| 14 | P | 74.6 | Confident | 66.4 | Low | 62 Ų | 62 | 109.2 Ų | 109.2 | 40% | 0.403 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -57.5 | -39.2 | 173.8 | -27.6 | 36.3 | 0 | 0 | 0 | 113.3 | V10 V17 I18 | V10-P14 WeakPolarHBondContact O-CD 3.47Å; V10-P14 VanDerWaalsContact O-CG 3.25Å; V10-P14 WeakPolarHBondContact O-CG 3.48Å; P14-V17 PolarHBondContact O-N 3.5Å; P14-I18 VanDerWaalsContact O-CB 3.27Å; P14-I18 WeakPolarHBondContact O-CB 3.46Å; P14-I18 WeakPolarHBondContact O-CD1 3.45Å; P14-I18 WeakPolarHBondContact O-CG1 3.26Å; P14-I18 PolarHBondContact O-N 3.04Å |
| 15 | S | 70.6 | Confident | 67.2 | Low | 63 Ų | 63 | 104 Ų | 104 | 44% | 0.441 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.7 | -36.3 | 179.9 | -161.7 | 0 | 0 | 0 | 0 | 113 | V11 L12 I13 T19 | V11-S15 WeakPolarHBondContact O-CB 3.49Å; V11-S15 PolarHBondContact O-N 3.42Å; V11-S15 VanDerWaalsContact O-N 3.14Å; L12-S15 PolarHBondContact O-N 3.48Å; I13-S15 VanDerWaalsContact C-N 3.3Å; I13-S15 PolarHBondContact O-N 3.14Å; S15-T19 PolarHBondContact O-N 3.48Å; S15-T19 PolarHBondContact O-OG1 2.89Å |
| 16 | V | 80.5 | Confident | 67.8 | Low | 76 Ų | 76 | 104 Ų | 104 | 46% | 0.461 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.1 | -43 | 171.8 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | L12 I13 T19 V20 | L12-V16 HydrophobicContact CG-CG2 4.37Å; L12-V16 WeakPolarHBondContact O-CB 3.3Å; L12-V16 VanDerWaalsContact O-CG2 3.31Å; L12-V16 WeakPolarHBondContact O-CG2 3.33Å; L12-V16 PolarHBondContact O-N 2.99Å; I13-V16 PolarHBondContact O-N 3.02Å; V16-T19 WeakPolarHBondContact CA-OG1 3.41Å; V16-T19 PolarHBondContact O-N 2.8Å; V16-T19 PolarHBondContact O-OG1 2.74Å; V16-T19 VanDerWaalsContact O-OG1 3.07Å; V16-V20 HydrophobicContact CG1-CG2 4.46Å; V16-V20 WeakPolarHBondContact O-CB 3.34Å; V16-V20 VanDerWaalsContact O-CG2 3.3Å; V16-V20 WeakPolarHBondContact O-CG2 3.38Å; V16-V20 PolarHBondContact O-N 2.85Å |
| 17 | V | 81.9 | Confident | 68.6 | Low | 74 Ų | 74 | 107.7 Ų | 107.7 | 45% | 0.448 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.2 | -43.8 | 175.5 | 169.9 | 0 | 0 | 0 | 0 | 111 | I13 P14 V20 I21 | I13-V17 HydrophobicContact CG2-CG2 4.34Å; I13-V17 WeakPolarHBondContact O-CB 3.15Å; I13-V17 VanDerWaalsContact O-CG2 3.32Å; I13-V17 WeakPolarHBondContact O-CG2 3.49Å; I13-V17 PolarHBondContact O-N 2.81Å; P14-V17 PolarHBondContact O-N 3.5Å; V17-V20 PolarHBondContact O-N 3.38Å; V17-I21 HydrophobicContact CG1-CD1 3.67Å; V17-I21 HydrophobicContact CG1-CG1 4.4Å; V17-I21 WeakPolarHBondContact O-CB 3.48Å; V17-I21 WeakPolarHBondContact O-CG1 3.42Å; V17-I21 PolarHBondContact O-N 3.2Å |
| 18 | I | 79.6 | Confident | 68.5 | Low | 91 Ų | 91 | 108.6 Ų | 108.6 | 47% | 0.467 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 175.2 | -72 | 163.8 | 0 | 0 | 0 | 110.9 | P14 I21 F22 | P14-I18 VanDerWaalsContact O-CB 3.27Å; P14-I18 WeakPolarHBondContact O-CB 3.46Å; P14-I18 WeakPolarHBondContact O-CD1 3.45Å; P14-I18 WeakPolarHBondContact O-CG1 3.26Å; P14-I18 PolarHBondContact O-N 3.04Å; I18-I21 PolarHBondContact O-N 3.45Å; I18-F22 HydrophobicContact CG2-CD2 3.76Å; I18-F22 HydrophobicContact CG2-CE2 4.03Å; I18-F22 WeakPolarHBondContact O-CB 3.24Å; I18-F22 WeakPolarHBondContact O-CD2 3.37Å; I18-F22 PolarHBondContact O-N 2.9Å |
| 19 | T | 80.1 | Confident | 68.3 | Low | 72 Ų | 72 | 106.1 Ų | 106.1 | 44% | 0.442 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -70.1 | -34.6 | 177.1 | 42.7 | 0 | 0 | 0 | 0 | 113 | S15 V16 F22 L23 | S15-T19 PolarHBondContact O-N 3.48Å; S15-T19 PolarHBondContact O-OG1 2.89Å; V16-T19 WeakPolarHBondContact CA-OG1 3.41Å; V16-T19 PolarHBondContact O-N 2.8Å; V16-T19 PolarHBondContact O-OG1 2.74Å; V16-T19 VanDerWaalsContact O-OG1 3.07Å; T19-F22 PolarHBondContact O-N 3.17Å; T19-L23 VanDerWaalsContact O-CB 3.32Å; T19-L23 WeakPolarHBondContact O-CB 3.48Å; T19-L23 WeakPolarHBondContact O-CD1 3.5Å; T19-L23 VanDerWaalsContact O-CG 3.3Å; T19-L23 WeakPolarHBondContact O-CG 3.42Å; T19-L23 PolarHBondContact O-N 3.47Å |
| 20 | V | 80.4 | Confident | 68 | Low | 86 Ų | 86 | 108 Ų | 108 | 52% | 0.521 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.2 | -42.6 | 170.5 | 169.6 | 0 | 0 | 0 | 0 | 111 | V16 V17 L23 F24 | V16-V20 HydrophobicContact CG1-CG2 4.46Å; V16-V20 WeakPolarHBondContact O-CB 3.34Å; V16-V20 VanDerWaalsContact O-CG2 3.3Å; V16-V20 WeakPolarHBondContact O-CG2 3.38Å; V16-V20 PolarHBondContact O-N 2.85Å; V17-V20 PolarHBondContact O-N 3.38Å; V20-L23 PolarHBondContact O-N 2.83Å; V20-F24 WeakPolarHBondContact O-CB 3.23Å; V20-F24 PolarHBondContact O-N 3.34Å |
| 21 | I | 76 | Confident | 67.5 | Low | 80 Ų | 80 | 111.1 Ų | 111.1 | 41% | 0.41 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.3 | -44.1 | 174.4 | -72.2 | 167.7 | 0 | 0 | 0 | 110.8 | V17 I18 F24 F25 | V17-I21 HydrophobicContact CG1-CD1 3.67Å; V17-I21 HydrophobicContact CG1-CG1 4.4Å; V17-I21 WeakPolarHBondContact O-CB 3.48Å; V17-I21 WeakPolarHBondContact O-CG1 3.42Å; V17-I21 PolarHBondContact O-N 3.2Å; I18-I21 PolarHBondContact O-N 3.45Å; I21-F24 WeakPolarHBondContact O-CB 3.5Å; I21-F24 PolarHBondContact O-N 3.2Å; I21-F25 HydrophobicContact CG2-CD2 3.64Å; I21-F25 HydrophobicContact CG2-CE2 3.72Å; I21-F25 VanDerWaalsContact O-CD2 3.31Å; I21-F25 WeakPolarHBondContact O-CD2 3.46Å; I21-F25 PolarHBondContact O-N 3.33Å |
| 22 | F | 72.4 | Confident | 66.8 | Low | 145 Ų | 145 | 110.5 Ų | 110.5 | 64% | 0.636 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.2 | -38.7 | 175.3 | -98.1 | -81 | 0 | 0 | 0 | 112.5 | I18 T19 F24 F25 W26 | I18-F22 HydrophobicContact CG2-CD2 3.76Å; I18-F22 HydrophobicContact CG2-CE2 4.03Å; I18-F22 WeakPolarHBondContact O-CB 3.24Å; I18-F22 WeakPolarHBondContact O-CD2 3.37Å; I18-F22 PolarHBondContact O-N 2.9Å; T19-F22 PolarHBondContact O-N 3.17Å; F22-F24 VanDerWaalsContact C-N 3.34Å; F22-F25 PolarHBondContact O-N 2.82Å; F22-W26 WeakPolarHBondContact O-CB 3.36Å; F22-W26 PolarHBondContact O-N 2.9Å |
| 23 | L | 73 | Confident | 65.7 | Low | 88 Ų | 88 | 112 Ų | 112 | 46% | 0.461 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.2 | -40.3 | 172.7 | -80.6 | 161.1 | 0 | 0 | 0 | 111.3 | T19 V20 W26 L27 | T19-L23 VanDerWaalsContact O-CB 3.32Å; T19-L23 WeakPolarHBondContact O-CB 3.48Å; T19-L23 WeakPolarHBondContact O-CD1 3.5Å; T19-L23 VanDerWaalsContact O-CG 3.3Å; T19-L23 WeakPolarHBondContact O-CG 3.42Å; T19-L23 PolarHBondContact O-N 3.47Å; V20-L23 PolarHBondContact O-N 2.83Å; L23-W26 HydrophobicContact CD2-CE3 4.12Å; L23-W26 HydrophobicContact CD2-CZ3 4.43Å; L23-W26 PolarHBondContact O-N 2.98Å; L23-L27 WeakPolarHBondContact O-CB 3.3Å; L23-L27 WeakPolarHBondContact O-CG 3.31Å; L23-L27 PolarHBondContact O-N 3.49Å |
| 24 | F | 71.8 | Confident | 64.6 | Low | 143 Ų | 143 | 116.7 Ų | 116.7 | 63% | 0.627 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.8 | -49.4 | 175.4 | -162.7 | -93.1 | 0 | 0 | 0 | 111.1 | V20 I21 F22 W26 L27 F28 | V20-F24 WeakPolarHBondContact O-CB 3.23Å; V20-F24 PolarHBondContact O-N 3.34Å; I21-F24 WeakPolarHBondContact O-CB 3.5Å; I21-F24 PolarHBondContact O-N 3.2Å; F22-F24 VanDerWaalsContact C-N 3.34Å; F24-W26 PolarHBondContact O-N 3.02Å; F24-L27 PolarHBondContact O-N 2.96Å; F24-F28 VanDerWaalsContact O-CB 3.26Å; F24-F28 WeakPolarHBondContact O-CB 3.23Å; F24-F28 PolarHBondContact O-N 3.48Å |
| 25 | F | 63 | Low | 63.3 | Low | 129 Ų | 129 | 119.5 Ų | 119.5 | 57% | 0.566 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -61.6 | -39.6 | 173.7 | -87.1 | -71.5 | 0 | 0 | 0 | 112.7 | I21 F22 F28 M29 | I21-F25 HydrophobicContact CG2-CD2 3.64Å; I21-F25 HydrophobicContact CG2-CE2 3.72Å; I21-F25 VanDerWaalsContact O-CD2 3.31Å; I21-F25 WeakPolarHBondContact O-CD2 3.46Å; I21-F25 PolarHBondContact O-N 3.33Å; F22-F25 PolarHBondContact O-N 2.82Å; F25-F28 PolarHBondContact O-N 3.28Å; F25-M29 WeakPolarHBondContact O-CB 3.44Å; F25-M29 WeakPolarHBondContact O-CG 3.42Å; F25-M29 PolarHBondContact O-N 3.09Å |
| 26 | W | 58.9 | Low | 62.3 | Low | 178 Ų | 178 | 121 Ų | 121 | 67% | 0.674 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -70.1 | -36.7 | -178.9 | -172.7 | 37.1 | 0 | 0 | 0 | 112.6 | F22 L23 F24 | F22-W26 WeakPolarHBondContact O-CB 3.36Å; F22-W26 PolarHBondContact O-N 2.9Å; L23-W26 HydrophobicContact CD2-CE3 4.12Å; L23-W26 HydrophobicContact CD2-CZ3 4.43Å; L23-W26 PolarHBondContact O-N 2.98Å; F24-W26 PolarHBondContact O-N 3.02Å |
| 27 | L | 62.1 | Low | 61.1 | Low | 138 Ų | 138 | 122 Ų | 122 | 72% | 0.723 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -72.1 | -36.7 | 172.6 | -73.6 | 166.9 | 0 | 0 | 0 | 112.1 | L23 F24 | L23-L27 WeakPolarHBondContact O-CB 3.3Å; L23-L27 WeakPolarHBondContact O-CG 3.31Å; L23-L27 PolarHBondContact O-N 3.49Å; F24-L27 PolarHBondContact O-N 2.96Å |
| 28 | F | 48.6 | Very low | 59.7 | Low | 129 Ų | 129 | 123.5 Ų | 123.5 | 57% | 0.566 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -85.5 | -24.1 | -175.9 | -142.1 | -93.8 | 0 | 0 | 0 | 114.3 | F24 F25 | F24-F28 VanDerWaalsContact O-CB 3.26Å; F24-F28 WeakPolarHBondContact O-CB 3.23Å; F24-F28 PolarHBondContact O-N 3.48Å; F25-F28 PolarHBondContact O-N 3.28Å |
| 29 | M | 50.5 | Low | 58.6 | Low | 132 Ų | 132 | 121 Ų | 121 | 65% | 0.65 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -81.7 | -14 | 177.2 | -74 | -77.7 | -73.3 | 0 | 0 | 113.7 | F25 E31 | F25-M29 WeakPolarHBondContact O-CB 3.44Å; F25-M29 WeakPolarHBondContact O-CG 3.42Å; F25-M29 PolarHBondContact O-N 3.09Å; M29-E31 VanDerWaalsContact C-N 3.33Å; M29-E31 PolarHBondContact O-N 3.41Å |
| 30 | K | 48.1 | Very low | 57 | Low | 167 Ų | 167 | 122.2 Ų | 122.2 | 73% | 0.726 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -82.8 | -3.1 | -172.7 | -134.9 | -177.8 | -179.9 | -172.5 | 0 | 115.3 | ||
| 31 | E | 47.6 | Very low | 55.2 | Low | 176 Ų | 176 | 121.8 Ų | 121.8 | 82% | 0.822 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -130.3 | 49.1 | 176.5 | -68.8 | -167 | 145.1 | 0 | 0 | 112.9 | M29 | M29-E31 VanDerWaalsContact C-N 3.33Å; M29-E31 PolarHBondContact O-N 3.41Å |
| 32 | T | 46.1 | Very low | 53.8 | Low | 90 Ų | 90 | 124.9 Ų | 124.9 | 55% | 0.552 | 59% | 0.593 | S | S | * | * | trans | -126.7 | 80.4 | 158.9 | 49.1 | 0 | 0 | 0 | 0 | 110.4 | Y34 | T32-Y34 PolarHBondContact O-N 3.38Š| ||
| 33 | L | 46.6 | Very low | 52.5 | Low | 137 Ų | 137 | 126.8 Ų | 126.8 | 72% | 0.717 | 60% | 0.596 | S | S | * | * | trans | -58.1 | 130.6 | 169.1 | -81.7 | 162.4 | 0 | 0 | 0 | 109.4 | D35 E36 | L33-D35 PolarHBondContact O-N 2.95Å; L33-E36 PolarHBondContact O-N 3.45Å | ||
| 34 | Y | 43.5 | Very low | 50.7 | Low | 194 Ų | 194 | 130.5 Ų | 130.5 | 76% | 0.761 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -53.8 | -27.7 | -174.9 | -132.5 | -104.4 | 0 | 0 | 0 | 113.1 | T32 E36 V37 L38 | T32-Y34 PolarHBondContact O-N 3.38Å; Y34-E36 PolarHBondContact O-N 3.21Å; Y34-V37 PolarHBondContact O-N 3.1Å; Y34-L38 PolarHBondContact O-N 2.96Å |
| 35 | D | 48.8 | Very low | 49.1 | Very low | 122 Ų | 122 | 127.1 Ų | 127.1 | 65% | 0.652 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.9 | -30.6 | 177.3 | -67.2 | -46.1 | 0 | 0 | 0 | 114.3 | L33 L38 A39 | L33-D35 PolarHBondContact O-N 2.95Å; D35-L38 PolarHBondContact O-N 2.59Å; D35-A39 WeakPolarHBondContact O-CB 3.22Å; D35-A39 PolarHBondContact O-N 2.95Å |
| 36 | E | 49.9 | Very low | 47.9 | Very low | 93 Ų | 93 | 129 Ų | 129 | 44% | 0.435 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -72.7 | -33 | -179.3 | -157.5 | -165 | 131.3 | 0 | 0 | 111.9 | L33 Y34 A39 K40 | L33-E36 PolarHBondContact O-N 3.45Å; Y34-E36 PolarHBondContact O-N 3.21Å; E36-A39 PolarHBondContact O-N 2.79Å; E36-K40 PolarHBondContact O-N 3.48Å; E36-K40 WeakPolarHBondContact OE1-CE 3.5Å; E36-K40 IonicContact OE1-NZ 3.85Å; E36-K40 PolarHBondContact OE1-NZ 2.89Å |
| 37 | V | 54 | Low | 46.7 | Very low | 98 Ų | 98 | 128.2 Ų | 128.2 | 59% | 0.594 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.6 | -44.2 | 175.6 | -178.9 | 0 | 0 | 0 | 0 | 109.9 | Y34 A39 K40 Q41 | Y34-V37 PolarHBondContact O-N 3.1Å; V37-A39 VanDerWaalsContact C-N 3.28Å; V37-A39 PolarHBondContact O-N 3.49Å; V37-K40 PolarHBondContact O-N 3.18Å; V37-Q41 PolarHBondContact O-N 3.33Å; V37-Q41 VanDerWaalsContact O-N 3.14Å |
| 38 | L | 51.9 | Low | 45.2 | Very low | 105 Ų | 105 | 129.7 Ų | 129.7 | 55% | 0.55 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65 | -32.1 | 175.6 | -152.6 | 71.6 | 0 | 0 | 0 | 112.3 | Y34 D35 K42 | Y34-L38 PolarHBondContact O-N 2.96Å; D35-L38 PolarHBondContact O-N 2.59Å; L38-K42 PolarHBondContact O-N 3.46Å |
| 39 | A | 57 | Low | 44.1 | Very low | 40 Ų | 40 | 127.5 Ų | 127.5 | 33% | 0.331 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -78.5 | -23.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | D35 E36 V37 R43 | D35-A39 WeakPolarHBondContact O-CB 3.22Å; D35-A39 PolarHBondContact O-N 2.95Å; E36-A39 PolarHBondContact O-N 2.79Å; V37-A39 VanDerWaalsContact C-N 3.28Å; V37-A39 PolarHBondContact O-N 3.49Å; A39-R43 PolarHBondContact O-NH1 3.21Å |
| 40 | K | 47.6 | Very low | 43.1 | Very low | 97 Ų | 97 | 127.8 Ų | 127.8 | 42% | 0.422 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -75.1 | -44.6 | 170 | -88.5 | 168.7 | 173.2 | 143.8 | 0 | 111.3 | E36 V37 K42 R43 E44 | E36-K40 PolarHBondContact O-N 3.48Å; E36-K40 WeakPolarHBondContact OE1-CE 3.5Å; E36-K40 IonicContact OE1-NZ 3.85Å; E36-K40 PolarHBondContact OE1-NZ 2.89Å; V37-K40 PolarHBondContact O-N 3.18Å; K40-K42 VanDerWaalsContact C-N 3.28Å; K40-K42 PolarHBondContact O-N 2.85Å; K40-R43 PolarHBondContact O-N 2.87Å; K40-E44 PolarHBondContact O-N 3.06Å |
| 41 | Q | 42.4 | Very low | 42.1 | Very low | 76 Ų | 76 | 128.5 Ų | 128.5 | 36% | 0.355 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -59.1 | -36.4 | 179.7 | -164.8 | 174.6 | 13.3 | 0 | 0 | 113.3 | V37 R43 T440 | V37-Q41 PolarHBondContact O-N 3.33Å; V37-Q41 VanDerWaalsContact O-N 3.14Å; Q41-R43 VanDerWaalsContact C-N 3.34Å; Q41-R43 PolarHBondContact O-N 3.44Å; Q41-T440 PolarHBondContact NE2-OG1 3.02Å |
| 42 | K | 46.4 | Very low | 41.3 | Very low | 146 Ų | 146 | 126.7 Ų | 126.7 | 64% | 0.635 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -73.2 | -15.2 | 173.7 | -86.8 | -177.9 | 175.2 | 174.2 | 0 | 115.3 | L38 K40 | L38-K42 PolarHBondContact O-N 3.46Å; K40-K42 VanDerWaalsContact C-N 3.28Å; K40-K42 PolarHBondContact O-N 2.85Å |
| 43 | R | 44.2 | Very low | 40.4 | Very low | 184 Ų | 184 | 129.7 Ų | 129.7 | 69% | 0.694 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -88.2 | -38 | 177.6 | -77.2 | -172.4 | -176.4 | 93.7 | -13.1 | 112.7 | A39 K40 Q41 Q45 K46 | A39-R43 PolarHBondContact O-NH1 3.21Å; K40-R43 PolarHBondContact O-N 2.87Å; Q41-R43 VanDerWaalsContact C-N 3.34Å; Q41-R43 PolarHBondContact O-N 3.44Å; R43-Q45 PolarHBondContact O-N 3.36Å; R43-K46 PolarHBondContact O-N 2.96Å |
| 44 | E | 35.5 | Very low | 39.7 | Very low | 166 Ų | 166 | 132.7 Ų | 132.7 | 78% | 0.776 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -70.4 | -21.3 | -175.6 | -67.3 | -178.1 | 176.3 | 0 | 0 | 113.2 | K40 K46 | K40-E44 PolarHBondContact O-N 3.06Å; E44-K46 VanDerWaalsContact C-N 3.25Å; E44-K46 PolarHBondContact O-N 3.42Å |
| 45 | Q | 38 | Very low | 39.2 | Very low | 72 Ų | 72 | 132.7 Ų | 132.7 | 34% | 0.336 | 66% | 0.658 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.1 | -4.4 | 177.1 | -148.3 | 174 | 30.5 | 0 | 0 | 114.5 | R43 E444 | R43-Q45 PolarHBondContact O-N 3.36Å; Q45-E444 VanDerWaalsContact NE2-CD 3.26Å; Q45-E444 PolarHBondContact NE2-OE1 2.76Å |
| 46 | K | 39.5 | Very low | 38.3 | Very low | 168 Ų | 168 | 136.3 Ų | 136.3 | 73% | 0.73 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.5 | 53.3 | -175.1 | -84.2 | -168 | 175.4 | -178.5 | 0 | 114.3 | R43 E44 | R43-K46 PolarHBondContact O-N 2.96Å; E44-K46 VanDerWaalsContact C-N 3.25Å; E44-K46 PolarHBondContact O-N 3.42Å |
| 47 | L | 31.9 | Very low | 37.4 | Very low | 162 Ų | 162 | 136.7 Ų | 136.7 | 85% | 0.848 | 69% | 0.687 | S | S | * | * | trans | -164.4 | 82.7 | 156.3 | -109.9 | 148.8 | 0 | 0 | 0 | 113.4 | ||||
| 48 | I | 31 | Very low | 36.1 | Very low | 169 Ų | 169 | 141.6 Ų | 141.6 | 87% | 0.867 | 70% | 0.704 | S | S | * | * | trans | -84.6 | 121.9 | 160.6 | -66.2 | 179 | 0 | 0 | 0 | 108.4 | ||||
| 49 | S | 26.5 | Very low | 35.1 | Very low | 84 Ų | 84 | 145.3 Ų | 145.3 | 59% | 0.587 | 72% | 0.715 | S | S | * | * | trans | -70.3 | 125.6 | -172.9 | -179.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 50 | T | 28.6 | Very low | 33.9 | Very low | 138 Ų | 138 | 151.7 Ų | 151.7 | 85% | 0.847 | 74% | 0.736 | S | S | * | * | trans | -86.5 | 104.4 | 158.8 | 48.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 51 | K | 28 | Very low | 33.1 | Very low | 181 Ų | 181 | 155.2 Ų | 155.2 | 79% | 0.787 | 75% | 0.751 | S | S | * | * | trans | -90 | 118.4 | 170.5 | -69.7 | -172.2 | 177.1 | -177.3 | 0 | 110.9 | ||||
| 52 | T | 29.4 | Very low | 32.3 | Very low | 139 Ų | 139 | 158 Ų | 158 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | -100.4 | 103.8 | 163.3 | 49.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 53 | D | 27.3 | Very low | 31.5 | Very low | 152 Ų | 152 | 159.8 Ų | 159.8 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | -97.7 | 132.4 | 175.8 | -131.4 | -43.7 | 0 | 0 | 0 | 110.8 | ||||
| 54 | K | 32.9 | Very low | 30.8 | Very low | 200 Ų | 200 | 159 Ų | 159 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | trans | -116.6 | 105.5 | 179 | -82.6 | -178.5 | 177.8 | 172.7 | 0 | 109.6 | ||||
| 55 | K | 32.6 | Very low | 30.6 | Very low | 194 Ų | 194 | 159.6 Ų | 159.6 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | -158.3 | 127.1 | 153 | -116.2 | 160.4 | -172.2 | 171.7 | 0 | 115.3 | ||||
| 56 | K | 30.5 | Very low | 30.1 | Very low | 198 Ų | 198 | 162 Ų | 162 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | 61.7 | 124.6 | 154 | -69.6 | -178.2 | 175.2 | -173.3 | 0 | 119.2 | ||||
| 57 | A | 30.6 | Very low | 29.7 | Very low | 101 Ų | 101 | 160.6 Ų | 160.6 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -82.7 | 145 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 58 | E | 25.7 | Very low | 29.6 | Very low | 201 Ų | 201 | 162.2 Ų | 162.2 | 94% | 0.939 | 79% | 0.791 | S | S | * | * | trans | -141.3 | 175.2 | 150 | -132.4 | -170.9 | 159.8 | 0 | 0 | 111.8 | ||||
| 59 | K | 32.5 | Very low | 29.4 | Very low | 183 Ų | 183 | 161.5 Ų | 161.5 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | trans | -119.2 | 154.7 | -142.2 | -143.9 | 172.5 | -171.8 | 169.1 | 0 | 112 | ||||
| 60 | K | 31 | Very low | 29.4 | Very low | 174 Ų | 174 | 160.9 Ų | 160.9 | 76% | 0.757 | 80% | 0.796 | S | S | * | * | trans | 91.2 | 120.1 | 155.2 | -63.9 | 172.9 | 175.7 | 167.8 | 0 | 120.3 | ||||
| 61 | K | 30.3 | Very low | 29.3 | Very low | 172 Ų | 172 | 159.9 Ų | 159.9 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | 87.2 | 126.3 | 122.2 | -82.5 | -172.3 | 171.7 | -174.1 | 0 | 121.2 | |||||
| 62 | N | 26.9 | Very low | 29.3 | Very low | 135 Ų | 135 | 158.3 Ų | 158.3 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | 102.9 | 108.4 | 126.9 | -79.1 | 2.7 | 0 | 0 | 0 | 120.7 | |||||
| 63 | K | 28.7 | Very low | 29.2 | Very low | 183 Ų | 183 | 161.3 Ų | 161.3 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | 101.3 | 93.6 | 111.5 | -165.8 | 176.9 | -178 | -177.2 | 0 | 119 | |||||
| 64 | K | 29.9 | Very low | 29.3 | Very low | 167 Ų | 167 | 160.5 Ų | 160.5 | 73% | 0.726 | 78% | 0.777 | S | S | * | * | 49.1 | 114.2 | 120.5 | -171.4 | -173 | 180 | 175.4 | 0 | 118.6 | |||||
| 65 | K | 30.4 | Very low | 29.1 | Very low | 179 Ų | 179 | 156.9 Ų | 156.9 | 78% | 0.778 | 78% | 0.777 | S | S | * | * | 168.6 | 164 | 120.2 | -91.9 | -162.7 | 172 | -169 | 0 | 110.3 | |||||
| 66 | E | 28.2 | Very low | 28.8 | Very low | 122 Ų | 122 | 155.3 Ų | 155.3 | 57% | 0.57 | 78% | 0.777 | S | S | * | * | cis | -176.3 | 121.8 | -34.9 | -177.2 | 161.6 | -166.6 | 0 | 0 | 108.7 | ||||
| 67 | I | 31.1 | Very low | 28.8 | Very low | 138 Ų | 138 | 151.8 Ų | 151.8 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | trans | 46.2 | 124.5 | 150.8 | -57.9 | 166.2 | 0 | 0 | 0 | 120.4 | ||||
| 68 | Q | 28.8 | Very low | 28.7 | Very low | 196 Ų | 196 | 155.8 Ų | 155.8 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | -145.8 | 136.1 | 119 | -150.6 | 163.7 | 18.3 | 0 | 0 | 112.2 | |||||
| 69 | N | 28.4 | Very low | 28.8 | Very low | 154 Ų | 154 | 154.4 Ų | 154.4 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | trans | -113 | 158.3 | -174.3 | -97.8 | -9.5 | 0 | 0 | 0 | 111.5 | ||||
| 70 | G | 26.6 | Very low | 28.7 | Very low | 71 Ų | 71 | 151.4 Ų | 151.4 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | trans | 158.2 | 135.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 71 | T | 25.9 | Very low | 29.1 | Very low | 117 Ų | 117 | 148 Ų | 148 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | cis | -179 | 129.1 | -49.5 | -88.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 72 | L | 28.2 | Very low | 29 | Very low | 149 Ų | 149 | 149.9 Ų | 149.9 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | trans | 63.1 | 157.6 | 169.6 | -96.4 | 52.8 | 0 | 0 | 0 | 117.3 | ||||
| 73 | R | 27.8 | Very low | 28.9 | Very low | 201 Ų | 201 | 149.5 Ų | 149.5 | 76% | 0.758 | 77% | 0.765 | S | S | * | * | cis | -145.8 | 168.8 | 10.5 | -136.7 | -153.4 | -161.4 | -90.6 | 7.3 | 113.1 | ||||
| 74 | E | 28.1 | Very low | 28.7 | Very low | 136 Ų | 136 | 149 Ų | 149 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | trans | -71.7 | 163.6 | 177.6 | -43.4 | 110.4 | 125.7 | 0 | 0 | 114.5 | ||||
| 75 | S | 29.5 | Very low | 28.6 | Very low | 124 Ų | 124 | 149 Ų | 149 | 87% | 0.867 | 76% | 0.763 | S | S | * | * | -173.6 | 126 | 117 | -108.7 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 76 | D | 26.4 | Very low | 28.6 | Very low | 161 Ų | 161 | 147.3 Ų | 147.3 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | trans | -76.2 | 156.1 | 165.9 | -60 | -65.1 | 0 | 0 | 0 | 112 | ||||
| 77 | S | 30.1 | Very low | 28.5 | Very low | 123 Ų | 123 | 146.5 Ų | 146.5 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | -170.2 | 150.4 | 132.3 | -157.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 78 | E | 28.8 | Very low | 28.3 | Very low | 185 Ų | 185 | 147.3 Ų | 147.3 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | -91.8 | 156.7 | -172.4 | -53.6 | 154.9 | 115.1 | 0 | 0 | 112.4 | ||||
| 79 | H | 27.8 | Very low | 28 | Very low | 172 Ų | 172 | 142.5 Ų | 142.5 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | -165.1 | 142.1 | 118.5 | -152.5 | -103.6 | 0 | 0 | 0 | 112.7 | |||||
| 80 | V | 30.7 | Very low | 28.1 | Very low | 121 Ų | 121 | 140 Ų | 140 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | trans | -121.7 | 135.4 | 175.3 | 163.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 81 | P | 37.6 | Very low | 28.5 | Very low | 102 Ų | 102 | 142.4 Ų | 142.4 | 66% | 0.662 | 77% | 0.767 | S | S | * | * | -152.6 | 133.5 | 116.1 | 32.7 | -12 | 0 | 0 | 0 | 117.6 | |||||
| 82 | R | 28.8 | Very low | 28.6 | Very low | 212 Ų | 212 | 140.7 Ų | 140.7 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | 45.5 | 123.6 | 122.9 | -75.3 | -174.4 | -170.8 | 171.8 | 5.8 | 122.7 | |||||
| 83 | D | 25.2 | Very low | 28.6 | Very low | 126 Ų | 126 | 142.5 Ų | 142.5 | 67% | 0.674 | 77% | 0.768 | S | S | * | * | 91.8 | 128.3 | 115.9 | -66.5 | -17.3 | 0 | 0 | 0 | 123.8 | |||||
| 84 | F | 23.4 | Very low | 28.7 | Very low | 172 Ų | 172 | 139.5 Ų | 139.5 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | trans | 81.6 | 106.6 | 137.9 | -90.3 | -116.1 | 0 | 0 | 0 | 123.1 | ||||
| 85 | K | 29.1 | Very low | 28.7 | Very low | 167 Ų | 167 | 139.9 Ų | 139.9 | 73% | 0.726 | 77% | 0.769 | S | S | * | * | 60.8 | 120.7 | 125.4 | -88.8 | -172.9 | 166.8 | -179.4 | 0 | 122.6 | |||||
| 86 | L | 29.1 | Very low | 28.6 | Very low | 145 Ų | 145 | 140 Ų | 140 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | 83.2 | 132.4 | 130 | -76.1 | 169.2 | 0 | 0 | 0 | 121.6 | |||||
| 87 | S | 26.8 | Very low | 28.5 | Very low | 104 Ų | 104 | 139.5 Ų | 139.5 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | 73.9 | 111.2 | 144.4 | -62 | 0 | 0 | 0 | 0 | 121 | ||||
| 88 | D | 26.3 | Very low | 28.3 | Very low | 155 Ų | 155 | 139.1 Ų | 139.1 | 83% | 0.829 | 74% | 0.739 | S | S | * | * | 69.4 | 113.2 | 116.2 | -157.4 | 18.9 | 0 | 0 | 0 | 120 | |||||
| 89 | A | 24.3 | Very low | 29 | Very low | 95 Ų | 95 | 136.1 Ų | 136.1 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | trans | -175.9 | 123.8 | 138.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 90 | S | 30.5 | Very low | 28.8 | Very low | 103 Ų | 103 | 132.1 Ų | 132.1 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | trans | -84.5 | 157.4 | 158 | 55.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 91 | P | 33.5 | Very low | 29.4 | Very low | 121 Ų | 121 | 131.6 Ų | 131.6 | 79% | 0.786 | 73% | 0.731 | S | S | * | * | -127.6 | 144 | 100.5 | 34.6 | -26.7 | 0 | 0 | 0 | 111.1 | |||||
| 92 | A | 29.3 | Very low | 29 | Very low | 80 Ų | 80 | 133.8 Ų | 133.8 | 66% | 0.661 | 74% | 0.736 | S | S | * | * | cis | 82.1 | 138.4 | 46.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 93 | E | 26.8 | Very low | 28.9 | Very low | 187 Ų | 187 | 130 Ų | 130 | 87% | 0.874 | 73% | 0.732 | S | S | * | * | trans | 86.4 | 123 | -177.4 | -57.5 | -172.5 | 177.9 | 0 | 0 | 117.3 | ||||
| 94 | D | 30.8 | Very low | 28.9 | Very low | 138 Ų | 138 | 131.2 Ų | 131.2 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | cis | 145.6 | 155.9 | -21.8 | -88.9 | -50.6 | 0 | 0 | 0 | 109.5 | ||||
| 95 | E | 27.6 | Very low | 29 | Very low | 145 Ų | 145 | 127.2 Ų | 127.2 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | trans | 99.4 | 145.2 | 148.2 | -67.3 | -135.8 | 118.1 | 0 | 0 | 122.6 | ||||
| 96 | Q | 28.5 | Very low | 28.8 | Very low | 125 Ų | 125 | 127.6 Ų | 127.6 | 58% | 0.584 | 75% | 0.746 | S | S | * | * | cis | -173.8 | 174.4 | -32.2 | -166.8 | 138.7 | -100 | 0 | 0 | 110.5 | V98 | Q96-V98 HydrophobicContact CG-CG2 4.46Š| ||
| 97 | F | 23.9 | Very low | 28.5 | Very low | 152 Ų | 152 | 126.9 Ų | 126.9 | 67% | 0.667 | 75% | 0.748 | S | S | * | * | trans | 101.6 | 110.9 | 156.3 | -66.9 | -74.5 | 0 | 0 | 0 | 118.1 | ||||
| 98 | V | 24.7 | Very low | 28.5 | Very low | 114 Ų | 114 | 126.6 Ų | 126.6 | 69% | 0.691 | 75% | 0.747 | S | S | * | * | cis | 77 | 144.2 | 21.1 | -163.9 | 0 | 0 | 0 | 0 | 111.4 | Q96 | Q96-V98 HydrophobicContact CG-CG2 4.46Š| ||
| 99 | P | 43.5 | Very low | 28.2 | Very low | 123 Ų | 123 | 124.5 Ų | 124.5 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | cis | -134.4 | -179.2 | 27.4 | 18.6 | 10.2 | 0 | 0 | 0 | 120.5 | ||||
| 100 | A | 23.5 | Very low | 28.2 | Very low | 87 Ų | 87 | 125 Ų | 125 | 72% | 0.719 | 74% | 0.742 | S | S | * | * | trans | -89.6 | -167.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 101 | P | 44.9 | Very low | 27.9 | Very low | 110 Ų | 110 | 126 Ų | 126 | 71% | 0.714 | 74% | 0.743 | S | S | * | * | -153.4 | 148.2 | 101.1 | 36.1 | -16.9 | 0 | 0 | 0 | 119.5 | |||||
| 102 | L | 28.5 | Very low | 27.4 | Very low | 148 Ų | 148 | 130.1 Ų | 130.1 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | trans | 61 | 154.2 | 135.7 | -57.1 | 171.3 | 0 | 0 | 0 | 120.4 | ||||
| 103 | N | 27.6 | Very low | 27.2 | Very low | 133 Ų | 133 | 131.4 Ų | 131.4 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | cis | -167.9 | 142.3 | 0.9 | -121.1 | -13.4 | 0 | 0 | 0 | 111.2 | ||||
| 104 | V | 24.9 | Very low | 27.3 | Very low | 152 Ų | 152 | 132.8 Ų | 132.8 | 92% | 0.921 | 73% | 0.733 | S | S | * | * | trans | -154.7 | 121.2 | 149.6 | -176.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 105 | A | 25.8 | Very low | 27.2 | Very low | 87 Ų | 87 | 135.7 Ų | 135.7 | 72% | 0.719 | 74% | 0.739 | S | S | * | * | trans | -171.9 | 156.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 106 | E | 24.8 | Very low | 27.3 | Very low | 175 Ų | 175 | 137.5 Ų | 137.5 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | cis | -167.7 | -173.7 | -14.6 | -115.7 | -166.4 | 163.7 | 0 | 0 | 108.8 | ||||
| 107 | T | 22.4 | Very low | 27.1 | Very low | 130 Ų | 130 | 138 Ų | 138 | 80% | 0.798 | 75% | 0.745 | S | S | * | * | trans | 80.1 | 145.6 | 163.4 | 75.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 108 | S | 25.4 | Very low | 27.2 | Very low | 99 Ų | 99 | 136.5 Ų | 136.5 | 69% | 0.692 | 74% | 0.739 | S | S | * | * | cis | -171.4 | 152.2 | -17.6 | 50.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 109 | S | 21.6 | Very low | 27.3 | Very low | 111 Ų | 111 | 139 Ų | 139 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | trans | 75.9 | 137.8 | 144.1 | 76.4 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 110 | S | 23.1 | Very low | 26.4 | Very low | 105 Ų | 105 | 141.2 Ų | 141.2 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | trans | 106.2 | 103.6 | 131.6 | -145.9 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 111 | V | 23.9 | Very low | 26.4 | Very low | 123 Ų | 123 | 146.5 Ų | 146.5 | 75% | 0.745 | 75% | 0.748 | S | S | * | * | 68.1 | 109.7 | 122.4 | 178.4 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 112 | R | 24.3 | Very low | 25.5 | Very low | 209 Ų | 209 | 149.8 Ų | 149.8 | 79% | 0.789 | 75% | 0.751 | S | S | * | * | 89.5 | 136 | 125.5 | -162.8 | 175.2 | -168.1 | 156.7 | 8.7 | 124.5 | |||||
| 113 | E | 25.6 | Very low | 25.8 | Very low | 107 Ų | 107 | 148.4 Ų | 148.4 | 50% | 0.5 | 75% | 0.751 | S | S | . | * | trans | 24.7 | 128 | 154.2 | -61.4 | -179.4 | 88 | 0 | 0 | 125.2 | ||||
| 114 | R | 28.3 | Very low | 25.6 | Very low | 216 Ų | 216 | 146 Ų | 146 | 82% | 0.815 | 75% | 0.745 | S | S | * | * | 63.8 | 144.1 | 127.8 | -65.8 | 174.3 | 163.9 | 147 | -10.5 | 122.7 | |||||
| 115 | K | 28.4 | Very low | 25.5 | Very low | 199 Ų | 199 | 145.5 Ų | 145.5 | 87% | 0.865 | 74% | 0.736 | S | S | * | * | trans | 91.5 | 101.8 | 155.5 | -75.3 | -176.8 | 175.9 | 177.9 | 0 | 121.4 | ||||
| 116 | K | 28.8 | Very low | 25.5 | Very low | 182 Ų | 182 | 149.1 Ų | 149.1 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | 52 | 115.4 | 106.8 | -143.6 | -178.6 | -173.8 | 174.4 | 0 | 120.3 | |||||
| 117 | K | 24.5 | Very low | 25.6 | Very low | 137 Ų | 137 | 147.8 Ų | 147.8 | 60% | 0.596 | 73% | 0.732 | S | S | * | * | 96.5 | 133.9 | 129 | -107.8 | -171.9 | 165.4 | -146.8 | 0 | 124.2 | |||||
| 118 | E | 25.7 | Very low | 25.8 | Very low | 120 Ų | 120 | 148.9 Ų | 148.9 | 56% | 0.561 | 73% | 0.728 | S | S | * | * | trans | 67.3 | 152 | 147.9 | -82.5 | -179.9 | 98.9 | 0 | 0 | 118.2 | ||||
| 119 | K | 27.5 | Very low | 25.7 | Very low | 165 Ų | 165 | 149.4 Ų | 149.4 | 72% | 0.717 | 73% | 0.726 | S | S | * | * | cis | -160.6 | 137.7 | 25.4 | -147.1 | 172.3 | -177.3 | 178.8 | 0 | 115 | ||||
| 120 | K | 25.8 | Very low | 25.9 | Very low | 171 Ų | 171 | 150.9 Ų | 150.9 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | trans | 33.9 | 138.6 | 140.7 | -63.3 | -175.8 | -179.5 | -171.6 | 0 | 122.7 | ||||
| 121 | Q | 23.2 | Very low | 26.1 | Very low | 198 Ų | 198 | 154.9 Ų | 154.9 | 93% | 0.925 | 73% | 0.728 | S | S | * | * | -156 | 160.4 | 90.1 | -114 | 176 | -13 | 0 | 0 | 115.4 | |||||
| 122 | K | 26 | Very low | 26.2 | Very low | 179 Ų | 179 | 156.5 Ų | 156.5 | 78% | 0.778 | 73% | 0.728 | S | S | * | * | trans | -128.7 | 163 | -171.4 | -151.8 | -163.7 | -178.7 | -175.7 | 0 | 107 | ||||
| 123 | P | 33.9 | Very low | 26.4 | Very low | 119 Ų | 119 | 151.6 Ų | 151.6 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | -148.2 | -167.1 | 82.9 | 22.7 | 2.9 | 0 | 0 | 0 | 113.2 | |||||
| 124 | S | 22.9 | Very low | 26.3 | Very low | 83 Ų | 83 | 154.6 Ų | 154.6 | 58% | 0.58 | 75% | 0.745 | S | S | * | * | -172.5 | 170 | -57.4 | 57.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 125 | L | 23.6 | Very low | 26.1 | Very low | 141 Ų | 141 | 148.9 Ų | 148.9 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | trans | 100.8 | 122.2 | -179.2 | -77.7 | 91.1 | 0 | 0 | 0 | 114.8 | ||||
| 126 | E | 25.6 | Very low | 26.2 | Very low | 163 Ų | 163 | 144.8 Ų | 144.8 | 76% | 0.762 | 74% | 0.74 | S | S | * | * | 83.6 | 136.2 | 52.4 | -75.8 | 170.4 | -174.8 | 0 | 0 | 112.6 | |||||
| 127 | E | 26.2 | Very low | 26.1 | Very low | 146 Ų | 146 | 145 Ų | 145 | 68% | 0.682 | 74% | 0.741 | S | S | * | * | cis | -168.5 | 169.1 | -12 | -156.4 | -161.8 | 129.7 | 0 | 0 | 109.4 | ||||
| 128 | Q | 26.8 | Very low | 26.5 | Very low | 154 Ų | 154 | 145.8 Ų | 145.8 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | trans | 70.7 | 158.2 | 158.2 | -59.1 | -169.6 | 7.7 | 0 | 0 | 120.8 | ||||
| 129 | V | 24.7 | Very low | 27.3 | Very low | 109 Ų | 109 | 146.2 Ų | 146.2 | 66% | 0.661 | 76% | 0.764 | S | S | * | * | cis | -165.3 | 140.3 | -19.1 | 135.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 130 | I | 25.3 | Very low | 27.2 | Very low | 143 Ų | 143 | 141.7 Ų | 141.7 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | 22.8 | 132 | 144 | -44.2 | 167.7 | 0 | 0 | 0 | 121.4 | ||||
| 131 | K | 26.3 | Very low | 27.3 | Very low | 189 Ų | 189 | 143.6 Ų | 143.6 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | 170.3 | -177.9 | 104.6 | -141.6 | 147.6 | -171.7 | -177 | 0 | 116.2 | |||||
| 132 | E | 25.6 | Very low | 27.4 | Very low | 157 Ų | 157 | 143.7 Ų | 143.7 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | trans | -109.7 | 168.4 | -155.1 | -54.7 | 156.4 | 105.2 | 0 | 0 | 116.7 | ||||
| 133 | S | 28.7 | Very low | 27.4 | Very low | 106 Ų | 106 | 141.7 Ų | 141.7 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | trans | 70.7 | 123.4 | 134.8 | 66.8 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 134 | D | 24.4 | Very low | 26.8 | Very low | 169 Ų | 169 | 143.4 Ų | 143.4 | 90% | 0.904 | 77% | 0.769 | S | S | * | * | 79.4 | 161.5 | 127.1 | -143 | 3.7 | 0 | 0 | 0 | 124 | |||||
| 135 | A | 23.6 | Very low | 27.7 | Very low | 97 Ų | 97 | 144.8 Ų | 144.8 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | 97.5 | 158 | 161.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 136 | S | 31.5 | Very low | 27.8 | Very low | 112 Ų | 112 | 143.1 Ų | 143.1 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | trans | -134.9 | 170.9 | -154.5 | -170.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 137 | K | 27.1 | Very low | 27.8 | Very low | 187 Ų | 187 | 142.7 Ų | 142.7 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | 93.5 | 112.2 | 157.5 | -79 | 174.8 | 174.8 | 171.2 | 0 | 123.4 | ||||
| 138 | I | 33.1 | Very low | 27.7 | Very low | 154 Ų | 154 | 140.8 Ų | 140.8 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | -2.8 | 152.6 | 139.2 | -4.6 | 177 | 0 | 0 | 0 | 120.8 | ||||
| 139 | P | 41.6 | Very low | 27.6 | Very low | 129 Ų | 129 | 139 Ų | 139 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | -142.8 | 173.7 | 85.6 | 40.5 | -27 | 0 | 0 | 0 | 114.9 | |||||
| 140 | G | 24.6 | Very low | 27.7 | Very low | 69 Ų | 69 | 143.1 Ų | 143.1 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | cis | 137.3 | 92.6 | -12.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 141 | K | 28.1 | Very low | 27.8 | Very low | 211 Ų | 211 | 145.2 Ų | 145.2 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | trans | -157.2 | 94.7 | 172.8 | -134.8 | 177.6 | -172.4 | -179.9 | 0 | 118 | ||||
| 142 | K | 25.4 | Very low | 28.3 | Very low | 200 Ų | 200 | 142.2 Ų | 142.2 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | 34.7 | 122 | 127.3 | -129 | -176.9 | -169.5 | -175 | 0 | 122.8 | |||||
| 143 | V | 25.9 | Very low | 28.3 | Very low | 138 Ų | 138 | 139 Ų | 139 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | 159 | 142.4 | 109.7 | 167.5 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 144 | E | 22.6 | Very low | 29.1 | Very low | 154 Ų | 154 | 139.6 Ų | 139.6 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | trans | -91.6 | -179.4 | -177.7 | -121.7 | -166 | 119.3 | 0 | 0 | 113.4 | ||||
| 145 | P | 41 | Very low | 29.8 | Very low | 113 Ų | 113 | 137 Ų | 137 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | cis | -149.6 | 155.7 | 42.2 | 38.4 | -14.9 | 0 | 0 | 0 | 121.4 | ||||
| 146 | V | 24.8 | Very low | 30.7 | Very low | 106 Ų | 106 | 138 Ų | 138 | 64% | 0.642 | 78% | 0.78 | S | S | * | * | trans | 40 | 118.9 | 136.8 | -169.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 147 | L | 25.5 | Very low | 31 | Very low | 153 Ų | 153 | 138.7 Ų | 138.7 | 80% | 0.801 | 78% | 0.782 | S | S | * | * | -172.2 | 128.7 | 112.8 | -126.3 | 102.8 | 0 | 0 | 0 | 115.6 | |||||
| 148 | V | 24.6 | Very low | 31 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 64% | 0.642 | 79% | 0.787 | S | S | * | * | trans | 69.8 | 97.9 | 139.1 | 167.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 149 | T | 24.2 | Very low | 30.7 | Very low | 118 Ų | 118 | 139.9 Ų | 139.9 | 72% | 0.724 | 79% | 0.792 | S | S | * | * | trans | 79.9 | 149.3 | 130.8 | 66.5 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 150 | K | 27.3 | Very low | 30 | Very low | 194 Ų | 194 | 138.4 Ų | 138.4 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | 90.1 | 93.7 | 157.7 | -73.6 | 168.9 | -176.3 | -179.6 | 0 | 119 | ||||
| 151 | Q | 28 | Very low | 30 | Very low | 188 Ų | 188 | 139.6 Ų | 139.6 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | -50 | 153.6 | 131.5 | -66.9 | 172.5 | -53.8 | 0 | 0 | 110.2 | ||||
| 152 | P | 36.4 | Very low | 29.8 | Very low | 125 Ų | 125 | 133.8 Ų | 133.8 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | -141.4 | 162.1 | 103 | 36.1 | -22.7 | 0 | 0 | 0 | 114.8 | |||||
| 153 | A | 26.1 | Very low | 29.8 | Very low | 89 Ų | 89 | 130.7 Ų | 130.7 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | trans | -98.8 | 174 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 154 | P | 44.9 | Very low | 29.7 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -78.6 | -177.5 | -166.1 | 38.2 | -38.6 | 0 | 0 | 0 | 112.6 | ||||
| 155 | P | 40.2 | Very low | 29.9 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | cis | -143.4 | -140.6 | 26.8 | 43 | -18.8 | 0 | 0 | 0 | 112.5 | ||||
| 156 | P | 41.9 | Very low | 29.3 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | cis | -121.3 | -177.6 | -29.3 | 26.3 | -3.1 | 0 | 0 | 0 | 113.4 | ||||
| 157 | P | 36.9 | Very low | 29.4 | Very low | 127 Ų | 127 | 139.4 Ų | 139.4 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -100.8 | 165.7 | -166 | 38.8 | -35.2 | 0 | 0 | 0 | 116.6 | ||||
| 158 | L | 27.4 | Very low | 29.4 | Very low | 177 Ų | 177 | 135.9 Ų | 135.9 | 93% | 0.927 | 80% | 0.801 | S | S | * | * | trans | -134.2 | 136.6 | 169.6 | -102.4 | 160.7 | 0 | 0 | 0 | 110.1 | ||||
| 159 | E | 26.4 | Very low | 29.5 | Very low | 189 Ų | 189 | 140.6 Ų | 140.6 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | trans | -84.6 | 146.4 | 170.2 | -65.2 | -176.3 | 116.4 | 0 | 0 | 111.7 | ||||
| 160 | A | 26.9 | Very low | 29.7 | Very low | 98 Ų | 98 | 144.5 Ų | 144.5 | 81% | 0.81 | 82% | 0.823 | S | S | * | * | -178.9 | 136.3 | 125.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 161 | A | 24.8 | Very low | 29.7 | Very low | 93 Ų | 93 | 145 Ų | 145 | 77% | 0.769 | 83% | 0.826 | S | S | * | * | trans | 66.2 | 93.9 | 143.8 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 162 | A | 23.8 | Very low | 29.7 | Very low | 89 Ų | 89 | 141.2 Ų | 141.2 | 74% | 0.736 | 82% | 0.82 | S | S | * | * | 62.1 | 143.5 | 117.6 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 163 | L | 25.9 | Very low | 29.3 | Very low | 136 Ų | 136 | 144.3 Ų | 144.3 | 71% | 0.712 | 82% | 0.821 | S | S | * | * | 178.1 | 129.4 | 113.4 | -113.4 | 77.1 | 0 | 0 | 0 | 116.2 | |||||
| 164 | K | 25 | Very low | 29.2 | Very low | 171 Ų | 171 | 146.8 Ų | 146.8 | 74% | 0.743 | 82% | 0.821 | S | S | * | * | trans | 47.4 | 136.6 | 135.6 | -65.7 | 173 | -163.8 | 162.4 | 0 | 123.4 | ||||
| 165 | K | 25.9 | Very low | 28.2 | Very low | 215 Ų | 215 | 144.3 Ų | 144.3 | 94% | 0.935 | 82% | 0.818 | S | S | * | * | -142 | 168.5 | 122.9 | -106 | 156.4 | -174.4 | 171.3 | 0 | 109.8 | |||||
| 166 | K | 29.1 | Very low | 27.6 | Very low | 200 Ų | 200 | 144 Ų | 144 | 87% | 0.87 | 82% | 0.818 | S | S | * | * | trans | -163.3 | 120.1 | -151.5 | 175.7 | -160.4 | 176.5 | -172.3 | 0 | 114.7 | ||||
| 167 | A | 26.9 | Very low | 26.7 | Very low | 107 Ų | 107 | 147 Ų | 147 | 88% | 0.884 | 82% | 0.822 | S | S | * | * | trans | -165.1 | 148.7 | 161 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 168 | G | 23.7 | Very low | 26.3 | Very low | 79 Ų | 79 | 148.6 Ų | 148.6 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | cis | -140.7 | -166.6 | -11.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 169 | Q | 28.1 | Very low | 26.3 | Very low | 205 Ų | 205 | 147.5 Ų | 147.5 | 96% | 0.958 | 81% | 0.809 | S | S | * | * | cis | -146.9 | -166.6 | 11.7 | -130.4 | 174.5 | 5.8 | 0 | 0 | 110.1 | ||||
| 170 | K | 28.4 | Very low | 26.4 | Very low | 200 Ų | 200 | 143.9 Ų | 143.9 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | trans | -145.8 | 153.9 | -152 | -164.7 | -177.9 | -172.7 | -177.6 | 0 | 115.7 | ||||
| 171 | K | 26.8 | Very low | 26.6 | Very low | 205 Ų | 205 | 146.8 Ų | 146.8 | 89% | 0.891 | 79% | 0.79 | S | S | * | * | trans | 112.7 | 144 | 167.8 | -69 | 176.5 | 175.5 | 178.9 | 0 | 113 | ||||
| 172 | S | 27.6 | Very low | 26.6 | Very low | 109 Ų | 109 | 151.5 Ų | 151.5 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | cis | -136.3 | 140.7 | 15.4 | 42 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 173 | K | 27.5 | Very low | 26.7 | Very low | 189 Ų | 189 | 152.1 Ų | 152.1 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | 54.2 | 131.9 | 91.7 | -99.1 | -158.5 | 156 | -163.6 | 0 | 114.6 | |||||
| 174 | N | 24.8 | Very low | 26.8 | Very low | 141 Ų | 141 | 154.3 Ų | 154.3 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | cis | -138.3 | 174.7 | 3.2 | -61.6 | -57.1 | 0 | 0 | 0 | 108.5 | ||||
| 175 | G | 24.6 | Very low | 26.7 | Very low | 67 Ų | 67 | 154 Ų | 154 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | cis | 157.8 | 153.1 | -4.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 176 | S | 26.5 | Very low | 26.7 | Very low | 110 Ų | 110 | 149.9 Ų | 149.9 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | 58.8 | 150.9 | 172.9 | -76.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 177 | E | 24.6 | Very low | 26.5 | Very low | 180 Ų | 180 | 148.7 Ų | 148.7 | 84% | 0.841 | 78% | 0.784 | S | S | * | * | cis | -157.3 | -174 | -22.9 | -130.3 | 157.8 | 148.9 | 0 | 0 | 109.4 | ||||
| 178 | E | 26.6 | Very low | 26.5 | Very low | 160 Ų | 160 | 147.8 Ų | 147.8 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -78.3 | 159.2 | -164.1 | -109.4 | 179.9 | -158.4 | 0 | 0 | 117.9 | ||||
| 179 | Q | 28.9 | Very low | 27.5 | Very low | 155 Ų | 155 | 149.2 Ų | 149.2 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | trans | 104.7 | 124.7 | 136.6 | -88.2 | 174.2 | 52.1 | 0 | 0 | 123.3 | ||||
| 180 | D | 27.4 | Very low | 27.4 | Very low | 112 Ų | 112 | 144.4 Ų | 144.4 | 60% | 0.599 | 76% | 0.761 | S | S | * | * | trans | 75.6 | 106.7 | 141 | -91.5 | 8.8 | 0 | 0 | 0 | 124.7 | ||||
| 181 | K | 31.2 | Very low | 27.6 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 70% | 0.696 | 75% | 0.754 | S | S | * | * | 64.8 | 106.2 | 120 | -72.2 | -176.9 | -167.5 | 90.6 | 0 | 121.3 | |||||
| 182 | K | 26.1 | Very low | 27.7 | Very low | 191 Ų | 191 | 140.6 Ų | 140.6 | 83% | 0.83 | 75% | 0.747 | S | S | * | * | 89.8 | 130.9 | 108.4 | -148 | -156.7 | 176.1 | -172 | 0 | 119.1 | |||||
| 183 | V | 24.1 | Very low | 27.8 | Very low | 102 Ų | 102 | 143.5 Ų | 143.5 | 62% | 0.618 | 75% | 0.748 | S | S | * | * | trans | 96.3 | 111.2 | 156.7 | -168.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 184 | E | 28.8 | Very low | 27.7 | Very low | 182 Ų | 182 | 140.5 Ų | 140.5 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | trans | 30.9 | 140.1 | 143 | -59.5 | 171.1 | 93.9 | 0 | 0 | 123.2 | ||||
| 185 | M | 23.1 | Very low | 27.7 | Very low | 166 Ų | 166 | 139.6 Ų | 139.6 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | -146.9 | 117.6 | 149.1 | -170.8 | 91.2 | 78.4 | 0 | 0 | 110.5 | ||||
| 186 | L | 25.9 | Very low | 27.7 | Very low | 128 Ų | 128 | 143.5 Ų | 143.5 | 67% | 0.67 | 74% | 0.744 | S | S | * | * | trans | 25.7 | 146.3 | 145.9 | -68.6 | 101.1 | 0 | 0 | 0 | 121.1 | ||||
| 187 | M | 24.2 | Very low | 27.4 | Very low | 175 Ų | 175 | 145.2 Ų | 145.2 | 86% | 0.862 | 75% | 0.745 | S | S | * | * | cis | -141.8 | 151.2 | 46.2 | -72.8 | -79.5 | 179.9 | 0 | 0 | 115.3 | ||||
| 188 | A | 27.7 | Very low | 27.3 | Very low | 87 Ų | 87 | 140.8 Ų | 140.8 | 72% | 0.719 | 73% | 0.733 | S | S | * | * | trans | -111.3 | -158.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 189 | P | 44.2 | Very low | 27.1 | Very low | 109 Ų | 109 | 140.8 Ų | 140.8 | 71% | 0.708 | 73% | 0.733 | S | S | * | * | cis | -144.9 | 175.5 | 3.8 | 44.1 | -24.5 | 0 | 0 | 0 | 119.3 | ||||
| 190 | S | 27.1 | Very low | 27 | Very low | 105 Ų | 105 | 140.9 Ų | 140.9 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | trans | 83.8 | 110.6 | 142.4 | -69.6 | 0 | 0 | 0 | 0 | 124 | ||||
| 191 | K | 32.2 | Very low | 27 | Very low | 167 Ų | 167 | 140.8 Ų | 140.8 | 73% | 0.726 | 73% | 0.733 | S | S | * | * | 69.9 | 118.7 | 129.2 | -76.5 | 178.6 | 159.5 | -75 | 0 | 123.1 | |||||
| 192 | E | 29.7 | Very low | 26.8 | Very low | 158 Ų | 158 | 138.2 Ų | 138.2 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | 38.6 | 128.5 | 125.1 | -57.7 | 167 | 136.3 | 0 | 0 | 118.4 | |||||
| 193 | Q | 29.1 | Very low | 26.9 | Very low | 169 Ų | 169 | 136.9 Ų | 136.9 | 79% | 0.79 | 73% | 0.725 | S | S | * | * | -174.9 | 152.4 | 58.3 | -160.2 | -171.9 | -30.1 | 0 | 0 | 112.9 | |||||
| 194 | D | 25.8 | Very low | 27.3 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 67% | 0.674 | 72% | 0.724 | S | S | * | * | trans | 56.7 | 140 | 150.4 | -86 | -40.2 | 0 | 0 | 0 | 127.6 | ||||
| 195 | V | 24.9 | Very low | 27.3 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 74% | 0.739 | 72% | 0.72 | S | S | * | * | trans | 77.8 | 108.4 | 139.2 | 173.4 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 196 | L | 23.2 | Very low | 27.6 | Very low | 149 Ų | 149 | 133.1 Ų | 133.1 | 78% | 0.78 | 72% | 0.719 | S | S | * | * | 57.7 | 131.4 | 121.7 | -147.5 | 78.8 | 0 | 0 | 0 | 125.1 | |||||
| 197 | L | 21.2 | Very low | 27.7 | Very low | 147 Ų | 147 | 130.3 Ų | 130.3 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | trans | 73.1 | 124.4 | 144.1 | -96.9 | 169.3 | 0 | 0 | 0 | 124.5 | ||||
| 198 | S | 21.4 | Very low | 28 | Very low | 86 Ų | 86 | 130.5 Ų | 130.5 | 60% | 0.601 | 73% | 0.725 | S | S | * | * | 97.9 | 122.3 | 125.4 | -136.7 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 199 | H | 23.4 | Very low | 28.1 | Very low | 160 Ų | 160 | 129.4 Ų | 129.4 | 74% | 0.741 | 72% | 0.722 | S | S | * | * | trans | 58.3 | 139 | 135.2 | -89 | -63.1 | 0 | 0 | 0 | 125.6 | ||||
| 200 | Q | 26.5 | Very low | 27.3 | Very low | 158 Ų | 158 | 133.9 Ų | 133.9 | 74% | 0.738 | 73% | 0.73 | S | S | * | * | trans | 73.7 | 138.4 | 138.5 | -82.9 | -171.4 | -60.2 | 0 | 0 | 119.4 | ||||
| 201 | D | 28.3 | Very low | 27.5 | Very low | 109 Ų | 109 | 137.5 Ų | 137.5 | 58% | 0.583 | 73% | 0.733 | S | S | * | * | cis | -177.5 | 167.5 | 4.9 | -137.1 | -23.6 | 0 | 0 | 0 | 111.2 | ||||
| 202 | T | 26.3 | Very low | 27.2 | Very low | 106 Ų | 106 | 139 Ų | 139 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | trans | 68.3 | 146.7 | 150.6 | 56.6 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 203 | K | 28.6 | Very low | 27.1 | Very low | 163 Ų | 163 | 134.7 Ų | 134.7 | 71% | 0.709 | 74% | 0.738 | S | S | * | * | cis | -164.5 | 148.4 | 9.7 | -127.8 | 166.7 | 177.4 | -159.6 | 0 | 116.7 | ||||
| 204 | Q | 32.8 | Very low | 26.9 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 61% | 0.607 | 75% | 0.745 | S | S | * | * | trans | 61.8 | 153.3 | 135.8 | -86.6 | 177.8 | -56 | 0 | 0 | 122.8 | ||||
| 205 | E | 26.9 | Very low | 27 | Very low | 164 Ų | 164 | 134.3 Ų | 134.3 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | cis | -164.5 | 156.7 | -12.7 | -166.2 | 150.6 | -94.2 | 0 | 0 | 111.1 | ||||
| 206 | G | 29.3 | Very low | 27.1 | Very low | 77 Ų | 77 | 138 Ų | 138 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | cis | 142.7 | 48.1 | -22.4 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 207 | G | 29.4 | Very low | 27.3 | Very low | 69 Ų | 69 | 139.8 Ų | 139.8 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | trans | -174.8 | 170.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 208 | L | 30.2 | Very low | 27.5 | Very low | 180 Ų | 180 | 139 Ų | 139 | 94% | 0.942 | 75% | 0.748 | S | S | * | * | cis | -151.5 | 163.1 | -2.3 | -88.2 | 104 | 0 | 0 | 0 | 107.9 | ||||
| 209 | G | 29.8 | Very low | 27.7 | Very low | 64 Ų | 64 | 142.4 Ų | 142.4 | 66% | 0.66 | 75% | 0.753 | S | S | * | * | cis | 140.2 | 147.9 | -2.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 210 | K | 27.2 | Very low | 27.8 | Very low | 202 Ų | 202 | 139.3 Ų | 139.3 | 88% | 0.878 | 75% | 0.749 | S | S | * | * | trans | 140.9 | 144.7 | 155.8 | -82.5 | 168.1 | -177.2 | 175.9 | 0 | 113.1 | ||||
| 211 | K | 30.4 | Very low | 27.7 | Very low | 181 Ų | 181 | 137.8 Ų | 137.8 | 79% | 0.787 | 74% | 0.742 | S | S | * | * | cis | -172.2 | 148.4 | -29.2 | -137.1 | 176.5 | -177.7 | 172.5 | 0 | 111.8 | ||||
| 212 | K | 27.6 | Very low | 27.5 | Very low | 198 Ų | 198 | 138.2 Ų | 138.2 | 86% | 0.861 | 74% | 0.744 | S | S | * | * | trans | 87 | 140 | 153.3 | -66.7 | -177.9 | 172.9 | -174.4 | 0 | 119.1 | ||||
| 213 | G | 25.9 | Very low | 27.6 | Very low | 69 Ų | 69 | 139.5 Ų | 139.5 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | cis | 158.8 | 133.9 | -15.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 214 | L | 24.9 | Very low | 27.5 | Very low | 178 Ų | 178 | 135.7 Ų | 135.7 | 93% | 0.932 | 75% | 0.75 | S | S | * | * | trans | 77.4 | 160.2 | 145.9 | -100.5 | 79.9 | 0 | 0 | 0 | 122.8 | ||||
| 215 | S | 29 | Very low | 27.1 | Very low | 109 Ų | 109 | 135 Ų | 135 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | trans | -140.6 | 176.7 | -163.6 | -36.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 216 | K | 27 | Very low | 27.2 | Very low | 199 Ų | 199 | 134.5 Ų | 134.5 | 87% | 0.865 | 76% | 0.756 | S | S | * | * | trans | 81 | 115.6 | 142.3 | -165.9 | 176.8 | -168.6 | 170.2 | 0 | 119.3 | ||||
| 217 | K | 26.2 | Very low | 27 | Very low | 186 Ų | 186 | 137.3 Ų | 137.3 | 81% | 0.809 | 76% | 0.758 | S | S | * | * | trans | 178.8 | 156.7 | 133.7 | -93.4 | -148.3 | 176.2 | -153.3 | 0 | 110.3 | ||||
| 218 | Q | 26.4 | Very low | 27 | Very low | 130 Ų | 130 | 140.6 Ų | 140.6 | 61% | 0.607 | 76% | 0.759 | S | S | * | * | cis | -177.9 | 136.4 | -25.9 | -171.4 | 176.4 | 4.1 | 0 | 0 | 110.3 | ||||
| 219 | K | 25.7 | Very low | 26.7 | Very low | 159 Ų | 159 | 140 Ų | 140 | 69% | 0.691 | 75% | 0.751 | S | S | * | * | trans | 59.2 | 159.5 | 158.6 | -84.2 | -167.8 | 169 | -139.6 | 0 | 118.7 | E221 | K219-E221 WeakPolarHBondContact CE-OE2 3.48Å; K219-E221 IonicContact NZ-OE2 3.4Å; K219-E221 PolarHBondContact NZ-OE2 3.32Å | ||
| 220 | S | 25.1 | Very low | 27.2 | Very low | 94 Ų | 94 | 142.2 Ų | 142.2 | 66% | 0.657 | 75% | 0.754 | S | S | * | * | cis | -154.9 | 136.3 | 11.5 | 4.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 221 | E | 24 | Very low | 27.4 | Very low | 126 Ų | 126 | 140 Ų | 140 | 59% | 0.589 | 75% | 0.751 | S | S | * | * | 68.2 | 136.6 | 99.4 | -67.2 | -176.7 | 91.1 | 0 | 0 | 115.1 | K219 | K219-E221 WeakPolarHBondContact CE-OE2 3.48Å; K219-E221 IonicContact NZ-OE2 3.4Å; K219-E221 PolarHBondContact NZ-OE2 3.32Å | |||
| 222 | N | 25.8 | Very low | 27.2 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | cis | -166.9 | 152.7 | 10.8 | -114.4 | -14.3 | 0 | 0 | 0 | 115.5 | ||||
| 223 | V | 26.6 | Very low | 27.1 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 81% | 0.806 | 75% | 0.747 | S | S | * | * | trans | 71.4 | 138.2 | 136.7 | 171.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 224 | A | 27.6 | Very low | 27.1 | Very low | 82 Ų | 82 | 138 Ų | 138 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | cis | -137.8 | -170.4 | 19.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 225 | V | 24.8 | Very low | 27.1 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 70% | 0.703 | 74% | 0.739 | S | S | * | * | cis | -157.1 | 126.7 | -4.5 | 102.7 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 226 | L | 28 | Very low | 26.9 | Very low | 153 Ų | 153 | 136 Ų | 136 | 80% | 0.801 | 74% | 0.738 | S | S | * | * | 57.2 | 124.4 | 94.7 | -74.4 | 142.4 | 0 | 0 | 0 | 114.8 | |||||
| 227 | V | 25.4 | Very low | 26.6 | Very low | 137 Ų | 137 | 136 Ų | 136 | 83% | 0.83 | 73% | 0.734 | S | S | * | * | cis | -145.5 | 162.1 | 12.9 | -173.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 228 | D | 30 | Very low | 26.8 | Very low | 138 Ų | 138 | 132.9 Ų | 132.9 | 74% | 0.738 | 73% | 0.725 | S | S | * | * | trans | -109 | 164 | -174.2 | -138.4 | -24 | 0 | 0 | 0 | 114.1 | ||||
| 229 | E | 23.2 | Very low | 27 | Very low | 166 Ų | 166 | 132.2 Ų | 132.2 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | trans | 58.7 | 167.8 | 155.7 | -87.2 | -166.3 | 113.7 | 0 | 0 | 122.4 | ||||
| 230 | P | 40.8 | Very low | 27 | Very low | 111 Ų | 111 | 131.2 Ų | 131.2 | 72% | 0.721 | 73% | 0.733 | S | S | * | * | cis | -131.5 | 179.1 | -7 | 25.4 | -0.9 | 0 | 0 | 0 | 117.2 | ||||
| 231 | L | 30.2 | Very low | 27 | Very low | 156 Ų | 156 | 133.3 Ų | 133.3 | 82% | 0.817 | 74% | 0.737 | S | S | * | * | trans | -37.7 | 144.6 | 169.3 | -165.6 | 76.2 | 0 | 0 | 0 | 119.2 | ||||
| 232 | I | 26.9 | Very low | 27.1 | Very low | 150 Ų | 150 | 133.3 Ų | 133.3 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | 179 | 132.4 | 127.6 | -95 | 161.5 | 0 | 0 | 0 | 115.7 | |||||
| 233 | H | 25.2 | Very low | 27.2 | Very low | 170 Ų | 170 | 131.6 Ų | 131.6 | 79% | 0.787 | 74% | 0.744 | S | S | * | * | trans | 34.3 | 112.8 | 159.3 | -72.5 | -81.2 | 0 | 0 | 0 | 125.5 | ||||
| 234 | A | 27.2 | Very low | 27.3 | Very low | 86 Ų | 86 | 131.9 Ų | 131.9 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | 31.1 | 141.5 | 122.3 | 0 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 235 | T | 24.3 | Very low | 27.5 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 77% | 0.767 | 74% | 0.741 | S | S | * | * | trans | 133.8 | 120.3 | 130.8 | -53.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 236 | T | 23.9 | Very low | 27.5 | Very low | 121 Ų | 121 | 133.8 Ų | 133.8 | 74% | 0.742 | 74% | 0.743 | S | S | * | * | trans | 63.9 | 115.5 | 145.7 | -59.2 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 237 | Y | 21.3 | Very low | 27.5 | Very low | 197 Ų | 197 | 133.2 Ų | 133.2 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | 40.6 | 112.6 | 121.4 | -141.4 | -102.2 | 0 | 0 | 0 | 121.2 | |||||
| 238 | I | 31.3 | Very low | 27.5 | Very low | 122 Ų | 122 | 133.5 Ų | 133.5 | 63% | 0.626 | 73% | 0.734 | S | S | * | * | trans | 45 | 119.5 | 137.6 | -51.1 | -175.2 | 0 | 0 | 0 | 117.5 | ||||
| 239 | P | 30 | Very low | 27.2 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 75% | 0.747 | 75% | 0.747 | S | S | * | * | -152.4 | -177.8 | 72.3 | 40.8 | -19.8 | 0 | 0 | 0 | 119.1 | |||||
| 240 | L | 24.7 | Very low | 27.5 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 73% | 0.728 | 74% | 0.742 | S | S | * | * | trans | -30.6 | 165.9 | 167.7 | -63.9 | 78.9 | 0 | 0 | 0 | 116.7 | ||||
| 241 | D | 26.8 | Very low | 27 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | cis | -170.5 | 167.9 | 37.7 | -143.5 | -17.7 | 0 | 0 | 0 | 116.1 | ||||
| 242 | N | 25.5 | Very low | 27 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 67% | 0.674 | 74% | 0.744 | S | S | * | * | trans | 65.3 | 114.8 | 141.1 | -161.9 | 16.4 | 0 | 0 | 0 | 122.5 | ||||
| 243 | A | 27.9 | Very low | 27.1 | Very low | 84 Ų | 84 | 140.5 Ų | 140.5 | 69% | 0.694 | 74% | 0.74 | S | S | * | * | -162.7 | 100.2 | 121.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 244 | N | 28.9 | Very low | 27.3 | Very low | 139 Ų | 139 | 139.7 Ų | 139.7 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | trans | 55.6 | 137.9 | 146.8 | -59.9 | -34.2 | 0 | 0 | 0 | 119.9 | ||||
| 245 | S | 30.9 | Very low | 27.3 | Very low | 99 Ų | 99 | 143.8 Ų | 143.8 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | cis | -177.6 | 157 | 4.8 | 46.3 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 246 | N | 26.3 | Very low | 27.4 | Very low | 138 Ų | 138 | 144.4 Ų | 144.4 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | cis | -172.3 | 158.6 | -1.5 | -105.8 | -17.3 | 0 | 0 | 0 | 104.3 | ||||
| 247 | L | 27.1 | Very low | 27.6 | Very low | 141 Ų | 141 | 146.2 Ų | 146.2 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | cis | -156.6 | 149 | -3.1 | -168.4 | 74.8 | 0 | 0 | 0 | 107.3 | ||||
| 248 | M | 25.1 | Very low | 27.8 | Very low | 144 Ų | 144 | 144.6 Ų | 144.6 | 71% | 0.709 | 75% | 0.752 | S | S | * | * | trans | 12.7 | 135.7 | 159 | -65.8 | -173.5 | 136.4 | 0 | 0 | 121.8 | D250 | M248-D250 HydrophobicContact CE-CB 4.08Š| ||
| 249 | M | 24.2 | Very low | 27.6 | Very low | 202 Ų | 202 | 147.5 Ų | 147.5 | 100% | 0.995 | 76% | 0.76 | S | S | * | * | -123 | 109.1 | 123.1 | -128.5 | -172.4 | -169 | 0 | 0 | 108.7 | |||||
| 250 | D | 28.9 | Very low | 28.2 | Very low | 127 Ų | 127 | 146.8 Ų | 146.8 | 68% | 0.679 | 76% | 0.755 | S | S | * | * | trans | -101.8 | 154.8 | 173.6 | -159.7 | -0.6 | 0 | 0 | 0 | 110.5 | M248 | M248-D250 HydrophobicContact CE-CB 4.08Š| ||
| 251 | K | 31.2 | Very low | 28.1 | Very low | 185 Ų | 185 | 147.2 Ų | 147.2 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | -94.7 | 130 | -174.5 | -62.9 | 170.3 | -179.2 | 168.7 | 0 | 111.5 | ||||
| 252 | R | 29.3 | Very low | 28.2 | Very low | 207 Ų | 207 | 148 Ų | 148 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | trans | -158.1 | 139.2 | 136.7 | -151.5 | 134.1 | -67.7 | -144.8 | 11.3 | 116.1 | ||||
| 253 | E | 28.3 | Very low | 28.1 | Very low | 146 Ų | 146 | 146.7 Ų | 146.7 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | trans | 48.5 | 107.7 | 150.1 | -76.3 | 145.9 | -146 | 0 | 0 | 122.3 | ||||
| 254 | I | 30.1 | Very low | 28 | Very low | 154 Ų | 154 | 151.6 Ų | 151.6 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | 36.8 | 113.4 | 114.1 | -53.1 | 168.3 | 0 | 0 | 0 | 117 | |||||
| 255 | I | 28.4 | Very low | 27.7 | Very low | 171 Ų | 171 | 148 Ų | 148 | 88% | 0.877 | 76% | 0.759 | S | S | * | * | -160 | 162.4 | 127.3 | -100.2 | 153.1 | 0 | 0 | 0 | 109.2 | |||||
| 256 | D | 25.6 | Very low | 27.5 | Very low | 138 Ų | 138 | 149.4 Ų | 149.4 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | trans | -69.1 | 166.9 | -158.1 | -113.6 | -44.7 | 0 | 0 | 0 | 119.2 | ||||
| 257 | M | 27.1 | Very low | 27.5 | Very low | 160 Ų | 160 | 149.7 Ų | 149.7 | 79% | 0.788 | 75% | 0.753 | S | S | * | * | trans | 48.9 | 113.6 | 146.8 | -69.5 | 166 | 45 | 0 | 0 | 120.7 | ||||
| 258 | I | 26.4 | Very low | 27.5 | Very low | 162 Ų | 162 | 149 Ų | 149 | 83% | 0.831 | 75% | 0.745 | S | S | * | * | trans | -134.2 | 112.8 | 131.7 | -59.4 | -176.5 | 0 | 0 | 0 | 109.7 | ||||
| 259 | K | 27.1 | Very low | 27.7 | Very low | 183 Ų | 183 | 147.2 Ų | 147.2 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | trans | -96.5 | 155.1 | 148.6 | -106 | -170.7 | 178.1 | -179.1 | 0 | 108.3 | ||||
| 260 | P | 41.7 | Very low | 27.7 | Very low | 100 Ų | 100 | 141.1 Ų | 141.1 | 65% | 0.649 | 74% | 0.735 | S | S | * | * | trans | -85.5 | 146.3 | -167.1 | 34.6 | -35.1 | 0 | 0 | 0 | 112.6 | ||||
| 261 | D | 23.9 | Very low | 27.6 | Very low | 149 Ų | 149 | 140.6 Ų | 140.6 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | -171.6 | 141.6 | 111.2 | -112 | -25.6 | 0 | 0 | 0 | 113.6 | |||||
| 262 | H | 27.5 | Very low | 27.4 | Very low | 152 Ų | 152 | 140.5 Ų | 140.5 | 70% | 0.704 | 74% | 0.736 | S | S | * | * | trans | 43.2 | 140.1 | 130.1 | -135.4 | -37 | 0 | 0 | 0 | 123.3 | ||||
| 263 | V | 25.4 | Very low | 27.4 | Very low | 100 Ų | 100 | 138.9 Ų | 138.9 | 61% | 0.606 | 74% | 0.735 | S | S | * | * | trans | 105.2 | 120.3 | 146.8 | -172.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 264 | E | 24.9 | Very low | 27.3 | Very low | 187 Ų | 187 | 138.8 Ų | 138.8 | 87% | 0.874 | 74% | 0.738 | S | S | * | * | trans | 45.8 | 140.8 | 151.1 | -64.9 | 161.7 | 163.3 | 0 | 0 | 123.2 | ||||
| 265 | G | 22.7 | Very low | 27.3 | Very low | 64 Ų | 64 | 139.5 Ų | 139.5 | 66% | 0.66 | 74% | 0.736 | S | S | * | * | 136.4 | 86.1 | 121.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 266 | I | 26.2 | Very low | 27.4 | Very low | 128 Ų | 128 | 137.7 Ų | 137.7 | 66% | 0.656 | 73% | 0.727 | S | S | * | * | 46.2 | 99.8 | 111.7 | -62.3 | 175.6 | 0 | 0 | 0 | 115.4 | |||||
| 267 | Q | 26.7 | Very low | 27.5 | Very low | 143 Ų | 143 | 139.6 Ų | 139.6 | 67% | 0.668 | 73% | 0.731 | S | S | * | * | 166.8 | 140.9 | 87.6 | -118.2 | 173.1 | 45.4 | 0 | 0 | 118.7 | |||||
| 268 | K | 27 | Very low | 27.7 | Very low | 128 Ų | 128 | 137.2 Ų | 137.2 | 56% | 0.557 | 73% | 0.725 | S | S | * | * | trans | 51.4 | 102.1 | 132.8 | -79.3 | 165.7 | -163.2 | 147.3 | 0 | 122.3 | D302 | K268-D302 WeakPolarHBondContact CE-OD2 3.38Å; K268-D302 IonicContact NZ-OD2 2.89Å; K268-D302 PolarHBondContact NZ-OD2 3.01Å | ||
| 269 | S | 30.2 | Very low | 27.8 | Very low | 106 Ų | 106 | 135.8 Ų | 135.8 | 74% | 0.741 | 72% | 0.72 | S | S | * | * | 65.4 | 133.8 | 109 | 75.8 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 270 | G | 23.6 | Very low | 28.2 | Very low | 74 Ų | 74 | 136 Ų | 136 | 76% | 0.763 | 72% | 0.72 | S | S | * | * | trans | -155.1 | 79 | 155.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 271 | T | 25.7 | Very low | 27.9 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | 58.6 | 134.5 | 95.2 | -18.9 | 0 | 0 | 0 | 0 | 118 | |||||
| 272 | K | 28.9 | Very low | 28.3 | Very low | 184 Ų | 184 | 141 Ų | 141 | 80% | 0.8 | 74% | 0.735 | S | S | * | * | trans | 90.4 | 141.9 | 163.4 | -55 | 162.4 | -173.5 | 167.1 | 0 | 115.6 | ||||
| 273 | K | 27.6 | Very low | 28.8 | Very low | 172 Ų | 172 | 138 Ų | 138 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | cis | -172 | 152.2 | -6.5 | -115.5 | -178.2 | 173.7 | -171.8 | 0 | 111.2 | ||||
| 274 | L | 27.6 | Very low | 29.3 | Very low | 144 Ų | 144 | 142.3 Ų | 142.3 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | trans | 66.5 | 152.8 | 159.7 | -85.7 | 90.7 | 0 | 0 | 0 | 117.8 | ||||
| 275 | K | 29.1 | Very low | 30.5 | Very low | 169 Ų | 169 | 139.1 Ų | 139.1 | 74% | 0.735 | 74% | 0.744 | S | S | * | * | cis | -158.2 | 140.6 | 2.7 | -151.5 | -175.4 | 177.5 | -171.6 | 0 | 111.7 | ||||
| 276 | I | 29.9 | Very low | 32.2 | Very low | 134 Ų | 134 | 143.6 Ų | 143.6 | 69% | 0.687 | 75% | 0.745 | S | S | * | * | trans | 21.1 | 131.2 | 139.6 | -50.6 | 171.3 | 0 | 0 | 0 | 117.7 | ||||
| 277 | E | 28 | Very low | 33.6 | Very low | 178 Ų | 178 | 145 Ų | 145 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | -162.4 | 170.3 | 74.9 | -149.8 | 137.2 | -118.8 | 0 | 0 | 116.6 | |||||
| 278 | T | 32.7 | Very low | 35.2 | Very low | 109 Ų | 109 | 145.9 Ų | 145.9 | 67% | 0.669 | 75% | 0.748 | S | S | * | * | trans | -61.3 | 168.4 | -171.7 | 22 | 0 | 0 | 0 | 0 | 117 | ||||
| 279 | D | 26.9 | Very low | 36.7 | Very low | 133 Ų | 133 | 143.4 Ų | 143.4 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | cis | -145.2 | 141.5 | 37.9 | -90 | -56.6 | 0 | 0 | 0 | 112.5 | ||||
| 280 | K | 36.6 | Very low | 38.5 | Very low | 186 Ų | 186 | 144.2 Ų | 144.2 | 81% | 0.809 | 73% | 0.731 | S | S | * | * | 54.5 | 101.6 | 87.3 | -77.4 | -175.7 | 177.6 | 174 | 0 | 117.7 | |||||
| 281 | E | 35 | Very low | 40.6 | Very low | 195 Ų | 195 | 144.8 Ų | 144.8 | 91% | 0.911 | 72% | 0.717 | S | S | * | * | -158.6 | 157.3 | 113.7 | -139.6 | 171.3 | -178.4 | 0 | 0 | 112.1 | |||||
| 282 | N | 31.5 | Very low | 42.6 | Very low | 160 Ų | 160 | 143.8 Ų | 143.8 | 86% | 0.856 | 71% | 0.707 | S | S | * | * | trans | -90.1 | 175.8 | 177.7 | -57.2 | -57.6 | 0 | 0 | 0 | 110 | ||||
| 283 | A | 37.8 | Very low | 44.3 | Very low | 90 Ų | 90 | 138.5 Ų | 138.5 | 74% | 0.744 | 69% | 0.693 | S | S | * | * | cis | -159.3 | 178 | 18.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 284 | E | 37.8 | Very low | 46.1 | Very low | 189 Ų | 189 | 134.3 Ų | 134.3 | 88% | 0.883 | 68% | 0.678 | S | S | * | * | trans | 71.4 | 81.6 | 165.6 | -61.5 | -161.7 | 147.9 | 0 | 0 | 119.5 | ||||
| 285 | V | 49.1 | Very low | 47.9 | Very low | 121 Ų | 121 | 136 Ų | 136 | 73% | 0.733 | 68% | 0.679 | S | S | * | * | trans | -72.7 | 136.2 | 162.2 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | D289 | V285-D289 HydrophobicContact CG1-CB 4.39Š| ||
| 286 | K | 59 | Low | 49.6 | Very low | 157 Ų | 157 | 133.4 Ų | 133.4 | 68% | 0.683 | 68% | 0.678 | S | S | * | * | trans | -91.5 | 146.2 | 166.4 | -64.7 | 169.7 | -177.7 | 168.4 | 0 | 109.6 | K288 D289 F290 | K286-K288 PolarHBondContact O-N 3.38Å; K286-D289 WeakPolarHBondContact CB-OD2 3.28Å; K286-D289 PolarHBondContact N-OD2 3.5Å; K286-D289 VanDerWaalsContact N-OD2 3.09Å; K286-D289 WeakPolarHBondContact O-CB 3.5Å; K286-D289 PolarHBondContact O-N 2.94Å; K286-F290 PolarHBondContact O-N 3.44Å | ||
| 287 | F | 54.3 | Low | 51.2 | Low | 158 Ų | 158 | 132.6 Ų | 132.6 | 69% | 0.693 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -53 | -26.9 | 176.8 | -179.3 | -103.4 | 0 | 0 | 0 | 113.5 | D289 F290 L291 | F287-D289 VanDerWaalsContact C-N 3.32Å; F287-D289 PolarHBondContact O-N 2.98Å; F287-F290 PolarHBondContact O-N 3.44Å; F287-L291 HydrophobicContact CD1-CD1 4.07Å; F287-L291 HydrophobicContact CE1-CD1 3.64Å; F287-L291 HydrophobicContact CE1-CG 4.27Å; F287-L291 HydrophobicContact CZ-CD1 4.26Å; F287-L291 PolarHBondContact O-N 2.81Å |
| 288 | K | 61.9 | Low | 52.5 | Low | 161 Ų | 161 | 132.7 Ų | 132.7 | 70% | 0.7 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -64 | -34.4 | 174.2 | -149.6 | 175 | -173.9 | -178.6 | 0 | 112.7 | K286 L291 L292 | K286-K288 PolarHBondContact O-N 3.38Å; K288-L291 PolarHBondContact O-N 2.98Å; K288-L292 WeakPolarHBondContact O-CB 3.38Å; K288-L292 WeakPolarHBondContact O-CG 3.28Å; K288-L292 PolarHBondContact O-N 3.09Å |
| 289 | D | 57.8 | Low | 54.3 | Low | 76 Ų | 76 | 131.3 Ų | 131.3 | 41% | 0.406 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -78.3 | -32.6 | -179.4 | -48.3 | -38.9 | 0 | 0 | 0 | 111 | V285 K286 F287 L292 S293 | V285-D289 HydrophobicContact CG1-CB 4.39Å; K286-D289 WeakPolarHBondContact CB-OD2 3.28Å; K286-D289 PolarHBondContact N-OD2 3.5Å; K286-D289 VanDerWaalsContact N-OD2 3.09Å; K286-D289 WeakPolarHBondContact O-CB 3.5Å; K286-D289 PolarHBondContact O-N 2.94Å; F287-D289 VanDerWaalsContact C-N 3.32Å; F287-D289 PolarHBondContact O-N 2.98Å; D289-L292 PolarHBondContact O-N 3.37Å; D289-S293 VanDerWaalsContact O-CB 3.28Å; D289-S293 WeakPolarHBondContact O-CB 3.47Å; D289-S293 PolarHBondContact O-N 2.81Å |
| 290 | F | 67.6 | Low | 56.4 | Low | 123 Ų | 123 | 127.6 Ų | 127.6 | 54% | 0.539 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -61.8 | -44.7 | 168.7 | 179.3 | -102.1 | 0 | 0 | 0 | 111.5 | K286 F287 S293 L294 | K286-F290 PolarHBondContact O-N 3.44Å; F287-F290 PolarHBondContact O-N 3.44Å; F290-S293 PolarHBondContact O-N 3.49Å; F290-L294 WeakPolarHBondContact O-CB 3.39Å; F290-L294 PolarHBondContact O-N 3.3Å |
| 291 | L | 66.8 | Low | 57.6 | Low | 86 Ų | 86 | 126 Ų | 126 | 45% | 0.45 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -68 | -35.3 | 174.9 | -71.7 | 175.3 | 0 | 0 | 0 | 113.1 | F287 K288 K295 | F287-L291 HydrophobicContact CD1-CD1 4.07Å; F287-L291 HydrophobicContact CE1-CD1 3.64Å; F287-L291 HydrophobicContact CE1-CG 4.27Å; F287-L291 HydrophobicContact CZ-CD1 4.26Å; F287-L291 PolarHBondContact O-N 2.81Å; K288-L291 PolarHBondContact O-N 2.98Å; L291-K295 VanDerWaalsContact O-CB 3.28Å; L291-K295 WeakPolarHBondContact O-CB 3.38Å; L291-K295 PolarHBondContact O-N 3.39Å |
| 292 | L | 68.3 | Low | 59.3 | Low | 95 Ų | 95 | 120.7 Ų | 120.7 | 50% | 0.497 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -66.8 | -42.1 | 173.5 | -78.8 | 162.2 | 0 | 0 | 0 | 111.5 | K288 D289 K295 T296 | K288-L292 WeakPolarHBondContact O-CB 3.38Å; K288-L292 WeakPolarHBondContact O-CG 3.28Å; K288-L292 PolarHBondContact O-N 3.09Å; D289-L292 PolarHBondContact O-N 3.37Å; L292-K295 WeakPolarHBondContact O-CB 3.37Å; L292-K295 PolarHBondContact O-N 3.03Å; L292-T296 PolarHBondContact O-N 3.19Å; L292-T296 PolarHBondContact O-OG1 2.9Å |
| 293 | S | 64.5 | Low | 61.3 | Low | 72 Ų | 72 | 118.1 Ų | 118.1 | 50% | 0.503 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -65.9 | -40.6 | 175.7 | -167.6 | 0 | 0 | 0 | 0 | 112 | D289 F290 K295 T296 M297 | D289-S293 VanDerWaalsContact O-CB 3.28Å; D289-S293 WeakPolarHBondContact O-CB 3.47Å; D289-S293 PolarHBondContact O-N 2.81Å; F290-S293 PolarHBondContact O-N 3.49Å; S293-K295 PolarHBondContact O-N 3.36Å; S293-T296 PolarHBondContact O-N 3.05Å; S293-T296 PolarHBondContact O-OG1 3.38Å; S293-M297 WeakPolarHBondContact O-CB 3.34Å; S293-M297 PolarHBondContact O-N 3.42Å |
| 294 | L | 66.8 | Low | 62.8 | Low | 84 Ų | 84 | 115.6 Ų | 115.6 | 44% | 0.44 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.2 | -29 | 173.9 | -161.4 | 77 | 0 | 0 | 0 | 111.8 | F290 F299 | F290-L294 WeakPolarHBondContact O-CB 3.39Å; F290-L294 PolarHBondContact O-N 3.3Å; L294-F299 HydrophobicContact CD1-CZ 3.98Å |
| 295 | K | 65.4 | Low | 64.4 | Low | 181 Ų | 181 | 111 Ų | 111 | 79% | 0.787 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -79 | -24.2 | 176.7 | -175.4 | 176.7 | 178.7 | -177.6 | 0 | 113.5 | L291 L292 S293 | L291-K295 VanDerWaalsContact O-CB 3.28Å; L291-K295 WeakPolarHBondContact O-CB 3.38Å; L291-K295 PolarHBondContact O-N 3.39Å; L292-K295 WeakPolarHBondContact O-CB 3.37Å; L292-K295 PolarHBondContact O-N 3.03Å; S293-K295 PolarHBondContact O-N 3.36Å |
| 296 | T | 63.7 | Low | 65.5 | Low | 114 Ų | 114 | 109.6 Ų | 109.6 | 70% | 0.699 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -99.3 | -7.5 | 177 | 44.4 | 0 | 0 | 0 | 0 | 114.3 | L292 S293 M298 | L292-T296 PolarHBondContact O-N 3.19Å; L292-T296 PolarHBondContact O-OG1 2.9Å; S293-T296 PolarHBondContact O-N 3.05Å; S293-T296 PolarHBondContact O-OG1 3.38Å; T296-M298 PolarHBondContact O-N 3.47Å |
| 297 | M | 64.5 | Low | 66.1 | Low | 116 Ų | 116 | 105.2 Ų | 105.2 | 57% | 0.571 | 54% | 0.541 | S | S | * | . | trans | -81.7 | 115.3 | 176.9 | -166.1 | 166.5 | -175.4 | 0 | 0 | 110.9 | S293 F299 | S293-M297 WeakPolarHBondContact O-CB 3.34Å; S293-M297 PolarHBondContact O-N 3.42Å; M297-F299 PolarHBondContact O-N 3.19Å | ||
| 298 | M | 54.4 | Low | 66.8 | Low | 180 Ų | 180 | 100.9 Ų | 100.9 | 89% | 0.887 | 53% | 0.528 | S | S | * | . | trans | -79.2 | 110.1 | 170.5 | -60.5 | -145.8 | -50.9 | 0 | 0 | 109.6 | T296 | T296-M298 PolarHBondContact O-N 3.47Š| ||
| 299 | F | 69.6 | Low | 67.4 | Low | 80 Ų | 80 | 97 Ų | 97 | 35% | 0.351 | 52% | 0.515 | S | S | . | . | trans | -72.2 | 141.4 | 169.4 | -61 | -85.5 | 0 | 0 | 0 | 110.2 | L294 M297 E303 A304 V307 | L294-F299 HydrophobicContact CD1-CZ 3.98Å; M297-F299 PolarHBondContact O-N 3.19Å; F299-E303 HydrophobicContact CB-CB 4.48Å; F299-E303 HydrophobicContact CD1-CB 4.33Å; F299-A304 HydrophobicContact CB-CB 3.83Å; F299-A304 HydrophobicContact CG-CB 4.35Å; F299-V307 HydrophobicContact CE1-CG2 4.02Å | ||
| 300 | S | 71.3 | Confident | 68.1 | Low | 56 Ų | 56 | 98.1 Ų | 98.1 | 39% | 0.392 | 52% | 0.52 | S | S | . | . | trans | -70 | 158.7 | 154.6 | 65.9 | 0 | 0 | 0 | 0 | 110.2 | D302 E303 A304 | S300-D302 VanDerWaalsContact C-N 3.29Å; S300-D302 PolarHBondContact O-N 2.73Å; S300-E303 VanDerWaalsContact CB-OE2 3.3Å; S300-E303 WeakPolarHBondContact CB-OE2 3.47Å; S300-E303 PolarHBondContact N-OE2 3.48Å; S300-E303 PolarHBondContact O-N 3.08Å; S300-E303 VanDerWaalsContact OG-CG 3.26Å; S300-E303 WeakPolarHBondContact OG-CG 3.41Å; S300-E303 PolarHBondContact OG-OE2 3.12Å; S300-A304 PolarHBondContact O-N 3.08Å | ||
| 301 | E | 62.9 | Low | 68.2 | Low | 151 Ų | 151 | 97.7 Ų | 97.7 | 71% | 0.706 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.3 | -39.5 | -177 | -163.5 | 165.3 | -153.1 | 0 | 0 | 112.2 | E303 L305 | E301-E303 PolarHBondContact O-N 2.97Å; E301-L305 WeakPolarHBondContact O-CB 3.48Å; E301-L305 WeakPolarHBondContact O-CG 3.39Å; E301-L305 PolarHBondContact O-N 3.31Å; E301-L305 VanDerWaalsContact O-N 3.1Å |
| 302 | D | 69.6 | Low | 68.2 | Low | 85 Ų | 85 | 99.6 Ų | 99.6 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.3 | -41.3 | 172.3 | -76.6 | -4.1 | 0 | 0 | 0 | 111.8 | K268 S300 C306 | K268-D302 WeakPolarHBondContact CE-OD2 3.38Å; K268-D302 IonicContact NZ-OD2 2.89Å; K268-D302 PolarHBondContact NZ-OD2 3.01Å; S300-D302 VanDerWaalsContact C-N 3.29Å; S300-D302 PolarHBondContact O-N 2.73Å; D302-C306 PolarHBondContact O-N 2.93Å; D302-C306 VanDerWaalsContact O-N 3.09Å |
| 303 | E | 73.6 | Confident | 68.2 | Low | 106 Ų | 106 | 101.6 Ų | 101.6 | 50% | 0.495 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -75.7 | -38.6 | -178.8 | -70.6 | 163.8 | 142.6 | 0 | 0 | 112.6 | F299 S300 E301 L305 C306 V307 | F299-E303 HydrophobicContact CB-CB 4.48Å; F299-E303 HydrophobicContact CD1-CB 4.33Å; S300-E303 VanDerWaalsContact CB-OE2 3.3Å; S300-E303 WeakPolarHBondContact CB-OE2 3.47Å; S300-E303 PolarHBondContact N-OE2 3.48Å; S300-E303 PolarHBondContact O-N 3.08Å; S300-E303 VanDerWaalsContact OG-CG 3.26Å; S300-E303 WeakPolarHBondContact OG-CG 3.41Å; S300-E303 PolarHBondContact OG-OE2 3.12Å; E301-E303 PolarHBondContact O-N 2.97Å; E303-L305 VanDerWaalsContact C-N 3.33Å; E303-C306 PolarHBondContact O-N 3.22Å; E303-V307 WeakPolarHBondContact O-CG2 3.43Å; E303-V307 PolarHBondContact O-N 2.89Å |
| 304 | A | 70.6 | Confident | 68.1 | Low | 37 Ų | 37 | 104.6 Ų | 104.6 | 31% | 0.306 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | F299 S300 V307 V308 | F299-A304 HydrophobicContact CB-CB 3.83Å; F299-A304 HydrophobicContact CG-CB 4.35Å; S300-A304 PolarHBondContact O-N 3.08Å; A304-V307 PolarHBondContact O-N 3.44Å; A304-V308 WeakPolarHBondContact O-CB 3.47Å; A304-V308 VanDerWaalsContact O-CG2 3.31Å; A304-V308 WeakPolarHBondContact O-CG2 3.35Å; A304-V308 PolarHBondContact O-N 3.01Å |
| 305 | L | 69.8 | Low | 67.8 | Low | 92 Ų | 92 | 102.8 Ų | 102.8 | 48% | 0.482 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 174 | -76.4 | 167.2 | 0 | 0 | 0 | 111.6 | E301 E303 V307 V308 D309 | E301-L305 WeakPolarHBondContact O-CB 3.48Å; E301-L305 WeakPolarHBondContact O-CG 3.39Å; E301-L305 PolarHBondContact O-N 3.31Å; E301-L305 VanDerWaalsContact O-N 3.1Å; E303-L305 VanDerWaalsContact C-N 3.33Å; L305-V307 VanDerWaalsContact C-N 3.34Å; L305-V307 PolarHBondContact O-N 3.01Å; L305-V308 PolarHBondContact O-N 3.49Å; L305-D309 WeakPolarHBondContact O-CB 3.21Å; L305-D309 PolarHBondContact O-N 3.04Å |
| 306 | C | 73.4 | Confident | 67.7 | Low | 92 Ų | 92 | 95.9 Ų | 95.9 | 62% | 0.622 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.8 | -40.5 | 176.8 | -122 | 0 | 0 | 0 | 0 | 113 | D302 E303 L310 | D302-C306 PolarHBondContact O-N 2.93Å; D302-C306 VanDerWaalsContact O-N 3.09Å; E303-C306 PolarHBondContact O-N 3.22Å; C306-L310 VanDerWaalsContact O-CB 3.3Å; C306-L310 WeakPolarHBondContact O-CB 3.32Å; C306-L310 PolarHBondContact O-N 3.48Å |
| 307 | V | 70.8 | Confident | 67.4 | Low | 64 Ų | 64 | 95.3 Ų | 95.3 | 39% | 0.388 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.2 | -42.1 | 175.3 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | F299 E303 A304 L305 L311 | F299-V307 HydrophobicContact CE1-CG2 4.02Å; E303-V307 WeakPolarHBondContact O-CG2 3.43Å; E303-V307 PolarHBondContact O-N 2.89Å; A304-V307 PolarHBondContact O-N 3.44Å; L305-V307 VanDerWaalsContact C-N 3.34Å; L305-V307 PolarHBondContact O-N 3.01Å; V307-L311 HydrophobicContact CG1-CD1 3.99Å; V307-L311 WeakPolarHBondContact O-CB 3.47Å; V307-L311 VanDerWaalsContact O-CG 3.24Å; V307-L311 WeakPolarHBondContact O-CG 3.46Å; V307-L311 PolarHBondContact O-N 3.39Å |
| 308 | V | 70.1 | Confident | 67 | Low | 67 Ų | 67 | 95.3 Ų | 95.3 | 41% | 0.406 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.4 | -40.2 | 176.7 | 165 | 0 | 0 | 0 | 0 | 111.6 | A304 L305 L311 K312 | A304-V308 WeakPolarHBondContact O-CB 3.47Å; A304-V308 VanDerWaalsContact O-CG2 3.31Å; A304-V308 WeakPolarHBondContact O-CG2 3.35Å; A304-V308 PolarHBondContact O-N 3.01Å; L305-V308 PolarHBondContact O-N 3.49Å; V308-L311 PolarHBondContact O-N 3.48Å; V308-K312 HydrophobicContact CG1-CD 4.37Å; V308-K312 WeakPolarHBondContact O-CG 3.29Å; V308-K312 PolarHBondContact O-N 3.01Å |
| 309 | D | 74.8 | Confident | 66.9 | Low | 80 Ų | 80 | 93.7 Ų | 93.7 | 43% | 0.428 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -75.3 | -36 | -179.7 | -71.9 | -20.1 | 0 | 0 | 0 | 112.1 | L305 L311 K312 E313 | L305-D309 WeakPolarHBondContact O-CB 3.21Å; L305-D309 PolarHBondContact O-N 3.04Å; D309-L311 VanDerWaalsContact C-N 3.31Å; D309-L311 PolarHBondContact O-N 2.93Å; D309-K312 PolarHBondContact O-N 3.05Å; D309-K312 WeakPolarHBondContact OD1-CD 3.46Å; D309-K312 IonicContact OD1-NZ 2.7Å; D309-K312 PolarHBondContact OD1-NZ 3.03Å; D309-E313 WeakPolarHBondContact O-CB 3.28Å; D309-E313 PolarHBondContact O-N 3.32Å |
| 310 | L | 71.9 | Confident | 66.2 | Low | 99 Ų | 99 | 97.4 Ų | 97.4 | 52% | 0.518 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.3 | -37 | 169.2 | -171.1 | 68.2 | 0 | 0 | 0 | 111.8 | C306 K314 | C306-L310 VanDerWaalsContact O-CB 3.3Å; C306-L310 WeakPolarHBondContact O-CB 3.32Å; C306-L310 PolarHBondContact O-N 3.48Å; L310-K314 WeakPolarHBondContact O-CB 3.45Å; L310-K314 WeakPolarHBondContact O-CG 3.5Å; L310-K314 PolarHBondContact O-N 3.28Å |
| 311 | L | 68.4 | Low | 65.3 | Low | 115 Ų | 115 | 98.4 Ų | 98.4 | 60% | 0.602 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -69.7 | -35.5 | 172.6 | -74.6 | 169.7 | 0 | 0 | 0 | 112.5 | V307 V308 D309 S315 | V307-L311 HydrophobicContact CG1-CD1 3.99Å; V307-L311 WeakPolarHBondContact O-CB 3.47Å; V307-L311 VanDerWaalsContact O-CG 3.24Å; V307-L311 WeakPolarHBondContact O-CG 3.46Å; V307-L311 PolarHBondContact O-N 3.39Å; V308-L311 PolarHBondContact O-N 3.48Å; D309-L311 VanDerWaalsContact C-N 3.31Å; D309-L311 PolarHBondContact O-N 2.93Å; L311-S315 WeakPolarHBondContact O-CB 3.42Å; L311-S315 PolarHBondContact O-N 3.11Å |
| 312 | K | 68.4 | Low | 64.7 | Low | 125 Ų | 125 | 97.9 Ų | 97.9 | 54% | 0.543 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.3 | -42 | 172 | -74.3 | 172.9 | -164.3 | 152.9 | 0 | 111.8 | V308 D309 S315 G316 | V308-K312 HydrophobicContact CG1-CD 4.37Å; V308-K312 WeakPolarHBondContact O-CG 3.29Å; V308-K312 PolarHBondContact O-N 3.01Å; D309-K312 PolarHBondContact O-N 3.05Å; D309-K312 WeakPolarHBondContact OD1-CD 3.46Å; D309-K312 IonicContact OD1-NZ 2.7Å; D309-K312 PolarHBondContact OD1-NZ 3.03Å; K312-S315 CarbonylContact O-C 3.58Å; K312-S315 WeakPolarHBondContact O-CB 3.48Å; K312-S315 PolarHBondContact O-N 2.73Å; K312-S315 VanDerWaalsContact O-N 3.17Å; K312-G316 PolarHBondContact O-N 3.4Å |
| 313 | E | 68.5 | Low | 63.7 | Low | 138 Ų | 138 | 102.8 Ų | 102.8 | 65% | 0.645 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.6 | -46.6 | 177.3 | -170.3 | -178.2 | -167.6 | 0 | 0 | 110.6 | D309 G316 | D309-E313 WeakPolarHBondContact O-CB 3.28Å; D309-E313 PolarHBondContact O-N 3.32Å; E313-G316 PolarHBondContact O-N 2.88Å |
| 314 | K | 61.8 | Low | 62.6 | Low | 135 Ų | 135 | 107.5 Ų | 107.5 | 59% | 0.587 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.8 | -33.6 | 171.9 | -67.3 | -67.6 | -177.8 | -176.2 | 0 | 113.1 | L310 G316 V317 I318 | L310-K314 WeakPolarHBondContact O-CB 3.45Å; L310-K314 WeakPolarHBondContact O-CG 3.5Å; L310-K314 PolarHBondContact O-N 3.28Å; K314-G316 VanDerWaalsContact C-N 3.31Å; K314-G316 PolarHBondContact O-N 2.88Å; K314-V317 PolarHBondContact O-N 3.47Å; K314-I318 WeakPolarHBondContact O-CG1 3.41Å; K314-I318 PolarHBondContact O-N 2.86Å |
| 315 | S | 60.4 | Low | 61.4 | Low | 45 Ų | 45 | 110.4 Ų | 110.4 | 32% | 0.315 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.8 | -33 | 174.1 | -177 | 0 | 0 | 0 | 0 | 112.4 | L311 K312 I318 K319 | L311-S315 WeakPolarHBondContact O-CB 3.42Å; L311-S315 PolarHBondContact O-N 3.11Å; K312-S315 CarbonylContact O-C 3.58Å; K312-S315 WeakPolarHBondContact O-CB 3.48Å; K312-S315 PolarHBondContact O-N 2.73Å; K312-S315 VanDerWaalsContact O-N 3.17Å; S315-I318 PolarHBondContact O-N 3.07Å; S315-K319 WeakPolarHBondContact O-CB 3.34Å; S315-K319 PolarHBondContact O-N 3.46Å |
| 316 | G | 62.3 | Low | 60 | Low | 36 Ų | 36 | 113.6 Ų | 113.6 | 37% | 0.371 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -57.6 | -48.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K312 E313 K314 I318 K319 E320 | K312-G316 PolarHBondContact O-N 3.4Å; E313-G316 PolarHBondContact O-N 2.88Å; K314-G316 VanDerWaalsContact C-N 3.31Å; K314-G316 PolarHBondContact O-N 2.88Å; G316-I318 VanDerWaalsContact C-N 3.31Å; G316-I318 PolarHBondContact O-N 3.14Å; G316-K319 PolarHBondContact O-N 2.81Å; G316-E320 WeakPolarHBondContact O-CB 3.42Å; G316-E320 PolarHBondContact O-N 3.15Å |
| 317 | V | 58.7 | Low | 58.8 | Low | 103 Ų | 103 | 118.8 Ų | 118.8 | 62% | 0.624 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62.7 | -37.2 | 177.8 | -175.2 | 0 | 0 | 0 | 0 | 111.7 | K314 A321 | K314-V317 PolarHBondContact O-N 3.47Å; V317-A321 PolarHBondContact O-N 2.96Å; V317-A321 VanDerWaalsContact O-N 3.15Å |
| 318 | I | 55.5 | Low | 57.9 | Low | 116 Ų | 116 | 119.1 Ų | 119.1 | 60% | 0.595 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -70.7 | -41 | 175.9 | -63.7 | 168.2 | 0 | 0 | 0 | 111.2 | K314 S315 G316 A321 L322 | K314-I318 WeakPolarHBondContact O-CG1 3.41Å; K314-I318 PolarHBondContact O-N 2.86Å; S315-I318 PolarHBondContact O-N 3.07Å; G316-I318 VanDerWaalsContact C-N 3.31Å; G316-I318 PolarHBondContact O-N 3.14Å; I318-A321 PolarHBondContact O-N 3.13Å; I318-L322 WeakPolarHBondContact O-CB 3.36Å; I318-L322 PolarHBondContact O-N 3.17Å |
| 319 | K | 53.6 | Low | 57 | Low | 146 Ų | 146 | 123.8 Ų | 123.8 | 64% | 0.635 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -67.2 | -33.6 | 176.8 | -82.7 | -179.8 | 174.2 | 175.3 | 0 | 112.8 | S315 G316 L322 K323 | S315-K319 WeakPolarHBondContact O-CB 3.34Å; S315-K319 PolarHBondContact O-N 3.46Å; G316-K319 PolarHBondContact O-N 2.81Å; K319-L322 PolarHBondContact O-N 2.85Å; K319-K323 PolarHBondContact O-N 2.74Å |
| 320 | E | 53.8 | Low | 56.2 | Low | 157 Ų | 157 | 126.2 Ų | 126.2 | 73% | 0.734 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -74.5 | -36.3 | 177.3 | -164 | 163.9 | -140.9 | 0 | 0 | 111.9 | G316 K323 | G316-E320 WeakPolarHBondContact O-CB 3.42Å; G316-E320 PolarHBondContact O-N 3.15Å; E320-K323 PolarHBondContact O-N 3.36Å |
| 321 | A | 52.6 | Low | 55.8 | Low | 78 Ų | 78 | 126 Ų | 126 | 65% | 0.645 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -63.5 | -38.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V317 I318 K323 | V317-A321 PolarHBondContact O-N 2.96Å; V317-A321 VanDerWaalsContact O-N 3.15Å; I318-A321 PolarHBondContact O-N 3.13Å; A321-K323 VanDerWaalsContact C-N 3.33Å; A321-K323 PolarHBondContact O-N 3.03Å |
| 322 | L | 49.9 | Very low | 55.9 | Low | 139 Ų | 139 | 123.1 Ų | 123.1 | 73% | 0.728 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -73.2 | -22.6 | 179.9 | -146.5 | 76.1 | 0 | 0 | 0 | 113.5 | I318 K319 K324 | I318-L322 WeakPolarHBondContact O-CB 3.36Å; I318-L322 PolarHBondContact O-N 3.17Å; K319-L322 PolarHBondContact O-N 2.85Å; L322-K324 PolarHBondContact O-N 3.33Å; L322-K324 VanDerWaalsContact O-N 3.14Å |
| 323 | K | 49.7 | Very low | 56 | Low | 189 Ų | 189 | 122.1 Ų | 122.1 | 82% | 0.822 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | 4.9 | -173.8 | -135.1 | 175.1 | -176.3 | -179.5 | 0 | 115.1 | K319 E320 A321 | K319-K323 PolarHBondContact O-N 2.74Å; E320-K323 PolarHBondContact O-N 3.36Å; A321-K323 VanDerWaalsContact C-N 3.33Å; A321-K323 PolarHBondContact O-N 3.03Å |
| 324 | K | 50.1 | Low | 56.1 | Low | 204 Ų | 204 | 120.9 Ų | 120.9 | 89% | 0.887 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | 6.9 | -177.5 | -112.5 | 177 | -178.7 | 174.6 | 0 | 115.1 | L322 | L322-K324 PolarHBondContact O-N 3.33Å; L322-K324 VanDerWaalsContact O-N 3.14Å |
| 325 | S | 44.4 | Very low | 56.8 | Low | 98 Ų | 98 | 120.6 Ų | 120.6 | 69% | 0.685 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -113.8 | 123.6 | 179.4 | -167.4 | 0 | 0 | 0 | 0 | 112.9 | ||
| 326 | N | 40.4 | Very low | 57.5 | Low | 159 Ų | 159 | 124.2 Ų | 124.2 | 85% | 0.85 | 67% | 0.674 | S | S | * | * | trans | 25.9 | 142.3 | 163.7 | -71 | -13.3 | 0 | 0 | 0 | 123.2 | G328 | N326-G328 PolarHBondContact O-N 2.97Š| ||
| 327 | K | 48.6 | Very low | 58.2 | Low | 201 Ų | 201 | 127.9 Ų | 127.9 | 87% | 0.874 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -103.9 | 29 | -154.4 | -140 | 175.4 | -174 | -178.7 | 0 | 115.3 | ||
| 328 | G | 52.4 | Low | 59.3 | Low | 71 Ų | 71 | 128.7 Ų | 128.7 | 73% | 0.732 | 68% | 0.681 | S | S | * | * | trans | -97.5 | -38.9 | -163.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | N326 L330 | N326-G328 PolarHBondContact O-N 2.97Å; G328-L330 PolarHBondContact O-N 3.49Å | ||
| 329 | E | 51.7 | Low | 60.4 | Low | 166 Ų | 166 | 128.3 Ų | 128.3 | 78% | 0.776 | 68% | 0.677 | S | S | * | * | trans | -101.5 | 26.6 | -160.6 | -64.5 | -175.8 | 136.1 | 0 | 0 | 115.5 | ||||
| 330 | L | 56.5 | Low | 61.7 | Low | 131 Ų | 131 | 128 Ų | 128 | 69% | 0.686 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -76.2 | -26.9 | -168.7 | -94.7 | 158 | 0 | 0 | 0 | 116 | G328 L334 | G328-L330 PolarHBondContact O-N 3.49Å; L330-L334 WeakPolarHBondContact O-CB 3.49Å; L330-L334 PolarHBondContact O-N 2.93Å |
| 331 | S | 64.8 | Low | 63.2 | Low | 93 Ų | 93 | 126.3 Ų | 126.3 | 65% | 0.65 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -79.9 | -45.6 | -171.9 | -170.6 | 0 | 0 | 0 | 0 | 113.8 | L333 L334 H335 | S331-L333 PolarHBondContact O-N 3.33Å; S331-L334 WeakPolarHBondContact O-CB 3.35Å; S331-L334 PolarHBondContact O-N 2.96Å; S331-H335 PolarHBondContact O-N 3.47Å |
| 332 | G | 69.2 | Low | 65 | Low | 55 Ų | 55 | 129.9 Ų | 129.9 | 57% | 0.567 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -64.5 | -41.8 | 180 | 0 | 0 | 0 | 0 | 0 | 112.4 | L334 H335 Q336 | G332-L334 VanDerWaalsContact C-N 3.32Å; G332-L334 PolarHBondContact O-N 3.04Å; G332-H335 PolarHBondContact O-N 2.84Å; G332-Q336 WeakPolarHBondContact O-CB 3.34Å; G332-Q336 PolarHBondContact O-N 3.36Å |
| 333 | L | 70.6 | Confident | 66.8 | Low | 105 Ų | 105 | 127.1 Ų | 127.1 | 55% | 0.55 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -65.6 | -32.3 | 175.1 | -72.2 | 172.5 | 0 | 0 | 0 | 112.7 | S331 L337 | S331-L333 PolarHBondContact O-N 3.33Å; L333-L337 VanDerWaalsContact O-CB 3.23Å; L333-L337 WeakPolarHBondContact O-CB 3.5Å; L333-L337 PolarHBondContact O-N 2.91Å |
| 334 | L | 72 | Confident | 68.4 | Low | 111 Ų | 111 | 122.5 Ų | 122.5 | 58% | 0.581 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.5 | -46.6 | 175 | -164.7 | 87.7 | 0 | 0 | 0 | 111.4 | L330 S331 G332 Q336 L337 Q338 | L330-L334 WeakPolarHBondContact O-CB 3.49Å; L330-L334 PolarHBondContact O-N 2.93Å; S331-L334 WeakPolarHBondContact O-CB 3.35Å; S331-L334 PolarHBondContact O-N 2.96Å; G332-L334 VanDerWaalsContact C-N 3.32Å; G332-L334 PolarHBondContact O-N 3.04Å; L334-Q336 VanDerWaalsContact C-N 3.35Å; L334-Q336 PolarHBondContact O-N 3.37Å; L334-L337 WeakPolarHBondContact O-CB 3.34Å; L334-L337 PolarHBondContact O-N 3.42Å; L334-Q338 WeakPolarHBondContact O-CB 3.43Å; L334-Q338 PolarHBondContact O-N 2.88Å |
| 335 | H | 74.8 | Confident | 70.1 | Confident | 130 Ų | 130 | 115.8 Ų | 115.8 | 60% | 0.602 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65 | -40.3 | 178.4 | -124.8 | -66.4 | 0 | 0 | 0 | 111.8 | S331 G332 Q338 E339 | S331-H335 PolarHBondContact O-N 3.47Å; G332-H335 PolarHBondContact O-N 2.84Å; H335-Q338 PolarHBondContact O-N 3.12Å; H335-E339 PolarHBondContact O-N 2.96Å |
| 336 | Q | 75.6 | Confident | 72.2 | Confident | 121 Ų | 121 | 113 Ų | 113 | 57% | 0.565 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68.9 | -34.4 | 177.4 | -157.9 | 175.4 | 44.7 | 0 | 0 | 112 | G332 L334 K340 | G332-Q336 WeakPolarHBondContact O-CB 3.34Å; G332-Q336 PolarHBondContact O-N 3.36Å; L334-Q336 VanDerWaalsContact C-N 3.35Å; L334-Q336 PolarHBondContact O-N 3.37Å; Q336-K340 WeakPolarHBondContact O-CB 3.24Å; Q336-K340 WeakPolarHBondContact O-CG 3.45Å; Q336-K340 PolarHBondContact O-N 3.19Å |
| 337 | L | 77.4 | Confident | 74.3 | Confident | 113 Ų | 113 | 112.1 Ų | 112.1 | 59% | 0.592 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.6 | -47 | 171.2 | -173 | 75.8 | 0 | 0 | 0 | 111.1 | L333 L334 E339 K340 E341 | L333-L337 VanDerWaalsContact O-CB 3.23Å; L333-L337 WeakPolarHBondContact O-CB 3.5Å; L333-L337 PolarHBondContact O-N 2.91Å; L334-L337 WeakPolarHBondContact O-CB 3.34Å; L334-L337 PolarHBondContact O-N 3.42Å; L337-E339 VanDerWaalsContact C-N 3.34Å; L337-E339 PolarHBondContact O-N 3.43Å; L337-K340 WeakPolarHBondContact O-CB 3.48Å; L337-K340 PolarHBondContact O-N 2.92Å; L337-E341 WeakPolarHBondContact O-CB 3.48Å; L337-E341 PolarHBondContact O-N 3.3Å |
| 338 | Q | 81.5 | Confident | 76.1 | Confident | 119 Ų | 119 | 109.2 Ų | 109.2 | 56% | 0.556 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.3 | -38.7 | 179 | -173.1 | 178.9 | -2.6 | 0 | 0 | 112.2 | L334 H335 E341 R342 | L334-Q338 WeakPolarHBondContact O-CB 3.43Å; L334-Q338 PolarHBondContact O-N 2.88Å; H335-Q338 PolarHBondContact O-N 3.12Å; Q338-E341 PolarHBondContact O-N 2.87Å; Q338-R342 PolarHBondContact O-N 2.94Å |
| 339 | E | 79.3 | Confident | 77.8 | Confident | 109 Ų | 109 | 113 Ų | 113 | 51% | 0.509 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -69.6 | -37.9 | 175 | -175.3 | 164.8 | -148 | 0 | 0 | 112.5 | H335 L337 E341 R342 L343 | H335-E339 PolarHBondContact O-N 2.96Å; L337-E339 VanDerWaalsContact C-N 3.34Å; L337-E339 PolarHBondContact O-N 3.43Å; E339-E341 VanDerWaalsContact C-N 3.3Å; E339-E341 PolarHBondContact O-N 3.41Å; E339-R342 PolarHBondContact O-N 3.29Å; E339-L343 WeakPolarHBondContact O-CG 3.47Å; E339-L343 PolarHBondContact O-N 3.43Å |
| 340 | K | 81.1 | Confident | 79.3 | Confident | 138 Ų | 138 | 110.1 Ų | 110.1 | 60% | 0.6 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.3 | -36.3 | 170.6 | -71.5 | -71.3 | -179.4 | -175.8 | 0 | 112 | Q336 L337 L343 L344 | Q336-K340 WeakPolarHBondContact O-CB 3.24Å; Q336-K340 WeakPolarHBondContact O-CG 3.45Å; Q336-K340 PolarHBondContact O-N 3.19Å; L337-K340 WeakPolarHBondContact O-CB 3.48Å; L337-K340 PolarHBondContact O-N 2.92Å; K340-L343 PolarHBondContact O-N 2.93Å; K340-L344 VanDerWaalsContact O-CB 3.23Å; K340-L344 WeakPolarHBondContact O-CB 3.26Å; K340-L344 PolarHBondContact O-N 2.86Å |
| 341 | E | 84.5 | Confident | 80.8 | Confident | 122 Ų | 122 | 106.5 Ų | 106.5 | 57% | 0.57 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -71.3 | -35.4 | 177.4 | -168.4 | 155.8 | -142.8 | 0 | 0 | 112.4 | L337 Q338 E339 L344 S345 | L337-E341 WeakPolarHBondContact O-CB 3.48Å; L337-E341 PolarHBondContact O-N 3.3Å; Q338-E341 PolarHBondContact O-N 2.87Å; E339-E341 VanDerWaalsContact C-N 3.3Å; E339-E341 PolarHBondContact O-N 3.41Å; E341-L344 PolarHBondContact O-N 3.18Å; E341-S345 WeakPolarHBondContact O-CB 3.45Å; E341-S345 PolarHBondContact O-N 3.07Å; E341-S345 PolarHBondContact O-OG 3.36Å |
| 342 | R | 90.1 | Very high | 81.9 | Confident | 153 Ų | 153 | 104.8 Ų | 104.8 | 58% | 0.577 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.7 | -48.6 | 168.7 | -171.3 | -172.7 | 70.9 | 84.9 | -3.4 | 111.7 | Q338 E339 L344 S345 A346 | Q338-R342 PolarHBondContact O-N 2.94Å; E339-R342 PolarHBondContact O-N 3.29Å; R342-L344 VanDerWaalsContact C-N 3.33Å; R342-L344 PolarHBondContact O-N 2.96Å; R342-S345 WeakPolarHBondContact O-CB 3.49Å; R342-S345 PolarHBondContact O-N 2.89Å; R342-A346 PolarHBondContact O-N 3.19Å |
| 343 | L | 87.6 | Confident | 82.9 | Confident | 81 Ų | 81 | 103.9 Ų | 103.9 | 42% | 0.424 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.1 | -37.4 | 177.5 | -73.6 | 169.8 | 0 | 0 | 0 | 112.4 | E339 K340 S345 A346 M347 | E339-L343 WeakPolarHBondContact O-CG 3.47Å; E339-L343 PolarHBondContact O-N 3.43Å; K340-L343 PolarHBondContact O-N 2.93Å; L343-S345 VanDerWaalsContact C-N 3.31Å; L343-A346 PolarHBondContact O-N 3.27Å; L343-M347 WeakPolarHBondContact O-CB 3.31Å; L343-M347 WeakPolarHBondContact O-CG 3.38Å; L343-M347 PolarHBondContact O-N 3Å |
| 344 | L | 84.7 | Confident | 83.4 | Confident | 92 Ų | 92 | 102 Ų | 102 | 48% | 0.482 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.7 | -30.5 | 175.7 | -172.9 | 145.4 | 0 | 0 | 0 | 112.1 | K340 E341 R342 K348 | K340-L344 VanDerWaalsContact O-CB 3.23Å; K340-L344 WeakPolarHBondContact O-CB 3.26Å; K340-L344 PolarHBondContact O-N 2.86Å; E341-L344 PolarHBondContact O-N 3.18Å; R342-L344 VanDerWaalsContact C-N 3.33Å; R342-L344 PolarHBondContact O-N 2.96Å; L344-K348 HydrophobicContact CD2-CD 3.97Å; L344-K348 VanDerWaalsContact CD2-CE 3.48Å; L344-K348 WeakPolarHBondContact O-CG 3.34Å; L344-K348 PolarHBondContact O-N 2.84Å; L344-K348 VanDerWaalsContact O-N 3.08Å |
| 345 | S | 85.8 | Confident | 84.4 | Confident | 64 Ų | 64 | 102.9 Ų | 102.9 | 45% | 0.448 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -71.2 | -44.9 | 173 | -57.4 | 0 | 0 | 0 | 0 | 111.6 | E341 R342 L343 M347 K348 E349 | E341-S345 WeakPolarHBondContact O-CB 3.45Å; E341-S345 PolarHBondContact O-N 3.07Å; E341-S345 PolarHBondContact O-OG 3.36Å; R342-S345 WeakPolarHBondContact O-CB 3.49Å; R342-S345 PolarHBondContact O-N 2.89Å; L343-S345 VanDerWaalsContact C-N 3.31Å; S345-M347 PolarHBondContact O-N 3.49Å; S345-K348 WeakPolarHBondContact O-CB 3.46Å; S345-K348 PolarHBondContact O-N 3.34Å; S345-K348 VanDerWaalsContact O-N 3.12Å; S345-E349 PolarHBondContact O-N 2.94Å |
| 346 | A | 86.8 | Confident | 85.2 | Confident | 39 Ų | 39 | 101.7 Ų | 101.7 | 32% | 0.322 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.3 | -44.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R342 L343 K348 E349 D350 | R342-A346 PolarHBondContact O-N 3.19Å; L343-A346 PolarHBondContact O-N 3.27Å; A346-K348 VanDerWaalsContact C-N 3.27Å; A346-K348 PolarHBondContact O-N 2.93Å; A346-E349 WeakPolarHBondContact O-CB 3.39Å; A346-E349 PolarHBondContact O-N 2.99Å; A346-E349 VanDerWaalsContact O-N 3.08Å; A346-D350 PolarHBondContact O-N 3.17Å |
| 347 | M | 84.4 | Confident | 85.9 | Confident | 141 Ų | 141 | 103.9 Ų | 103.9 | 70% | 0.695 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.5 | -32.7 | 173.5 | -83.9 | -95.9 | 161.9 | 0 | 0 | 113.4 | L343 S345 A351 | L343-M347 WeakPolarHBondContact O-CB 3.31Å; L343-M347 WeakPolarHBondContact O-CG 3.38Å; L343-M347 PolarHBondContact O-N 3Å; S345-M347 PolarHBondContact O-N 3.49Å; M347-A351 WeakPolarHBondContact O-CB 3.37Å; M347-A351 PolarHBondContact O-N 3.44Å |
| 348 | K | 86.7 | Confident | 86.4 | Confident | 139 Ų | 139 | 102.2 Ų | 102.2 | 60% | 0.604 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -72 | -36 | 173 | -80 | 172.7 | 175.4 | 173 | 0 | 112.3 | L344 S345 A346 A351 A352 | L344-K348 HydrophobicContact CD2-CD 3.97Å; L344-K348 VanDerWaalsContact CD2-CE 3.48Å; L344-K348 WeakPolarHBondContact O-CG 3.34Å; L344-K348 PolarHBondContact O-N 2.84Å; L344-K348 VanDerWaalsContact O-N 3.08Å; S345-K348 WeakPolarHBondContact O-CB 3.46Å; S345-K348 PolarHBondContact O-N 3.34Å; S345-K348 VanDerWaalsContact O-N 3.12Å; A346-K348 VanDerWaalsContact C-N 3.27Å; A346-K348 PolarHBondContact O-N 2.93Å; K348-A351 PolarHBondContact O-N 3.17Å; K348-A352 WeakPolarHBondContact O-CB 3.4Å; K348-A352 PolarHBondContact O-N 3.47Å |
| 349 | E | 88.6 | Confident | 87 | Confident | 150 Ų | 150 | 101.6 Ų | 101.6 | 70% | 0.701 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.5 | -43.8 | 175.5 | -167.8 | 170.7 | -177.2 | 0 | 0 | 111.1 | S345 A346 A351 A352 A353 | S345-E349 PolarHBondContact O-N 2.94Å; A346-E349 WeakPolarHBondContact O-CB 3.39Å; A346-E349 PolarHBondContact O-N 2.99Å; A346-E349 VanDerWaalsContact O-N 3.08Å; E349-A351 PolarHBondContact O-N 3.34Å; E349-A352 WeakPolarHBondContact O-CB 3.38Å; E349-A352 PolarHBondContact O-N 2.92Å; E349-A352 VanDerWaalsContact O-N 3.15Å; E349-A353 WeakPolarHBondContact O-CB 3.42Å; E349-A353 PolarHBondContact O-N 3.28Å |
| 350 | D | 83.8 | Confident | 87.6 | Confident | 106 Ų | 106 | 101.6 Ų | 101.6 | 57% | 0.567 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.7 | -37.8 | 171.9 | -79 | -31.5 | 0 | 0 | 0 | 112.4 | A346 A352 A353 S354 | A346-D350 PolarHBondContact O-N 3.17Å; D350-A352 VanDerWaalsContact C-N 3.34Å; D350-A353 PolarHBondContact O-N 3.05Å; D350-S354 WeakPolarHBondContact O-CB 3.28Å; D350-S354 PolarHBondContact O-N 3.4Å; D350-S354 PolarHBondContact O-OG 3.02Å |
| 351 | A | 86.9 | Confident | 88 | Confident | 55 Ų | 55 | 100.5 Ų | 100.5 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.7 | -35.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | M347 K348 E349 S354 K355 | M347-A351 WeakPolarHBondContact O-CB 3.37Å; M347-A351 PolarHBondContact O-N 3.44Å; K348-A351 PolarHBondContact O-N 3.17Å; E349-A351 PolarHBondContact O-N 3.34Å; A351-S354 WeakPolarHBondContact CA-OG 3.47Å; A351-S354 PolarHBondContact O-OG 2.94Å; A351-S354 VanDerWaalsContact O-OG 3.11Å; A351-K355 VanDerWaalsContact O-CB 3.29Å; A351-K355 WeakPolarHBondContact O-CB 3.35Å; A351-K355 PolarHBondContact O-N 3.08Å |
| 352 | A | 88.6 | Confident | 88.3 | Confident | 58 Ų | 58 | 98 Ų | 98 | 48% | 0.479 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.5 | -44.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | K348 E349 D350 K355 E356 | K348-A352 WeakPolarHBondContact O-CB 3.4Å; K348-A352 PolarHBondContact O-N 3.47Å; E349-A352 WeakPolarHBondContact O-CB 3.38Å; E349-A352 PolarHBondContact O-N 2.92Å; E349-A352 VanDerWaalsContact O-N 3.15Å; D350-A352 VanDerWaalsContact C-N 3.34Å; A352-K355 PolarHBondContact O-N 2.97Å; A352-E356 PolarHBondContact O-N 3.09Å |
| 353 | A | 89.2 | Confident | 88.4 | Confident | 36 Ų | 36 | 97.3 Ų | 97.3 | 30% | 0.298 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E349 D350 E356 R357 | E349-A353 WeakPolarHBondContact O-CB 3.42Å; E349-A353 PolarHBondContact O-N 3.28Å; D350-A353 PolarHBondContact O-N 3.05Å; A353-E356 PolarHBondContact O-N 3.36Å; A353-R357 WeakPolarHBondContact O-CG 3.48Å; A353-R357 PolarHBondContact O-N 3.41Å |
| 354 | S | 82.8 | Confident | 88.5 | Confident | 65 Ų | 65 | 97.9 Ų | 97.9 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.9 | -38.1 | 173.5 | 52.4 | 0 | 0 | 0 | 0 | 112.5 | D350 A351 E356 C358 | D350-S354 WeakPolarHBondContact O-CB 3.28Å; D350-S354 PolarHBondContact O-N 3.4Å; D350-S354 PolarHBondContact O-OG 3.02Å; A351-S354 WeakPolarHBondContact CA-OG 3.47Å; A351-S354 PolarHBondContact O-OG 2.94Å; A351-S354 VanDerWaalsContact O-OG 3.11Å; S354-E356 VanDerWaalsContact C-N 3.34Å; S354-E356 PolarHBondContact O-N 3.4Å; S354-C358 WeakPolarHBondContact O-CB 3.25Å; S354-C358 PolarHBondContact O-N 3.25Å |
| 355 | K | 91.8 | Very high | 88.9 | Confident | 130 Ų | 130 | 99.2 Ų | 99.2 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.3 | -41 | 170.9 | -173.7 | 173.8 | -177 | 176.2 | 0 | 111.8 | A351 A352 C358 K359 | A351-K355 VanDerWaalsContact O-CB 3.29Å; A351-K355 WeakPolarHBondContact O-CB 3.35Å; A351-K355 PolarHBondContact O-N 3.08Å; A352-K355 PolarHBondContact O-N 2.97Å; K355-C358 WeakPolarHBondContact O-CB 3.27Å; K355-C358 PolarHBondContact O-N 3.48Å; K355-K359 PolarHBondContact O-N 3.35Å |
| 356 | E | 91.9 | Very high | 89.1 | Confident | 104 Ų | 104 | 99.5 Ų | 99.5 | 49% | 0.486 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70.1 | -42.4 | 179.4 | -159.1 | 59.2 | -152.3 | 0 | 0 | 112.1 | A352 A353 S354 C358 K359 Q360 | A352-E356 PolarHBondContact O-N 3.09Å; A353-E356 PolarHBondContact O-N 3.36Å; S354-E356 VanDerWaalsContact C-N 3.34Å; S354-E356 PolarHBondContact O-N 3.4Å; E356-C358 VanDerWaalsContact C-N 3.26Å; E356-C358 PolarHBondContact O-N 2.97Å; E356-K359 WeakPolarHBondContact O-CB 3.5Å; E356-K359 PolarHBondContact O-N 3.19Å; E356-K359 IonicContact OE1-NZ 2.73Å; E356-K359 WeakPolarHBondContact OE2-CD 3.43Å; E356-K359 WeakPolarHBondContact OE2-CE 3.48Å; E356-K359 IonicContact OE2-NZ 2.74Å; E356-K359 PolarHBondContact OE2-NZ 3.38Å; E356-Q360 PolarHBondContact O-N 3.38Å |
| 357 | R | 91 | Very high | 89.2 | Confident | 168 Ų | 168 | 99.9 Ų | 99.9 | 63% | 0.634 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -57.9 | -38.5 | 170.2 | -72 | 174.4 | -170.6 | 145.7 | 5.3 | 112.3 | A353 Q360 L361 | A353-R357 WeakPolarHBondContact O-CG 3.48Å; A353-R357 PolarHBondContact O-N 3.41Å; R357-Q360 PolarHBondContact O-N 3.16Å; R357-L361 WeakPolarHBondContact O-CB 3.35Å; R357-L361 PolarHBondContact O-N 3.45Å |
| 358 | C | 88.2 | Confident | 89.3 | Confident | 77 Ų | 77 | 98.1 Ų | 98.1 | 52% | 0.52 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.9 | -39.8 | 177.2 | -170.2 | 0 | 0 | 0 | 0 | 112.1 | S354 K355 E356 T362 | S354-C358 WeakPolarHBondContact O-CB 3.25Å; S354-C358 PolarHBondContact O-N 3.25Å; K355-C358 WeakPolarHBondContact O-CB 3.27Å; K355-C358 PolarHBondContact O-N 3.48Å; E356-C358 VanDerWaalsContact C-N 3.26Å; E356-C358 PolarHBondContact O-N 2.97Å; C358-T362 WeakPolarHBondContact O-CB 3.37Å; C358-T362 PolarHBondContact O-N 3.26Å; C358-T362 PolarHBondContact O-OG1 3.48Å |
| 359 | K | 93.4 | Very high | 89.6 | Confident | 106 Ų | 106 | 98.4 Ų | 98.4 | 46% | 0.461 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63 | -45.5 | 170.5 | -66.6 | -179 | -165.1 | 159.2 | 0 | 112 | K355 E356 T362 Q363 | K355-K359 PolarHBondContact O-N 3.35Å; E356-K359 WeakPolarHBondContact O-CB 3.5Å; E356-K359 PolarHBondContact O-N 3.19Å; E356-K359 IonicContact OE1-NZ 2.73Å; E356-K359 WeakPolarHBondContact OE2-CD 3.43Å; E356-K359 WeakPolarHBondContact OE2-CE 3.48Å; E356-K359 IonicContact OE2-NZ 2.74Å; E356-K359 PolarHBondContact OE2-NZ 3.38Å; K359-T362 WeakPolarHBondContact O-CB 3.43Å; K359-T362 PolarHBondContact O-N 3.17Å; K359-T362 VanDerWaalsContact O-N 3.13Å; K359-Q363 PolarHBondContact O-N 3.26Å |
| 360 | Q | 91.3 | Very high | 89.8 | Confident | 109 Ų | 109 | 96.8 Ų | 96.8 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.3 | -48.4 | -179.3 | -174.8 | 178 | -12.6 | 0 | 0 | 111.1 | E356 R357 T362 Q363 E364 | E356-Q360 PolarHBondContact O-N 3.38Å; R357-Q360 PolarHBondContact O-N 3.16Å; Q360-T362 VanDerWaalsContact C-N 3.29Å; Q360-T362 PolarHBondContact O-N 2.9Å; Q360-Q363 PolarHBondContact O-N 3.07Å; Q360-Q363 VanDerWaalsContact O-N 3.14Å; Q360-E364 WeakPolarHBondContact CG-OE1 3.47Å; Q360-E364 PolarHBondContact NE2-OE1 2.85Å; Q360-E364 WeakPolarHBondContact O-CG 3.29Å; Q360-E364 PolarHBondContact O-N 3.15Å |
| 361 | L | 90.6 | Very high | 90.2 | Very high | 115 Ų | 115 | 98.6 Ų | 98.6 | 60% | 0.602 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.3 | -39.5 | 173.1 | -80.6 | 164.1 | 0 | 0 | 0 | 112.6 | R357 M365 | R357-L361 WeakPolarHBondContact O-CB 3.35Å; R357-L361 PolarHBondContact O-N 3.45Å; L361-M365 VanDerWaalsContact O-CB 3.24Å; L361-M365 WeakPolarHBondContact O-CB 3.37Å; L361-M365 PolarHBondContact O-N 3.39Å |
| 362 | T | 89.5 | Confident | 90.3 | Very high | 70 Ų | 70 | 98.7 Ų | 98.7 | 43% | 0.429 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.1 | -40.1 | 176.3 | -57 | 0 | 0 | 0 | 0 | 111.4 | C358 K359 Q360 M365 M366 | C358-T362 WeakPolarHBondContact O-CB 3.37Å; C358-T362 PolarHBondContact O-N 3.26Å; C358-T362 PolarHBondContact O-OG1 3.48Å; K359-T362 WeakPolarHBondContact O-CB 3.43Å; K359-T362 PolarHBondContact O-N 3.17Å; K359-T362 VanDerWaalsContact O-N 3.13Å; Q360-T362 VanDerWaalsContact C-N 3.29Å; Q360-T362 PolarHBondContact O-N 2.9Å; T362-M365 HydrophobicContact CG2-CE 4.29Å; T362-M366 VanDerWaalsContact O-CG 3.28Å; T362-M366 WeakPolarHBondContact O-CG 3.5Å; T362-M366 PolarHBondContact O-N 2.9Å; T362-M366 VanDerWaalsContact O-N 3.07Å |
| 363 | Q | 92.3 | Very high | 90.4 | Very high | 138 Ų | 138 | 99.5 Ų | 99.5 | 65% | 0.645 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -69.3 | -44.2 | 176.7 | -176.4 | 173.2 | -6.7 | 0 | 0 | 111.8 | K359 Q360 M366 T367 | K359-Q363 PolarHBondContact O-N 3.26Å; Q360-Q363 PolarHBondContact O-N 3.07Å; Q360-Q363 VanDerWaalsContact O-N 3.14Å; Q363-M366 PolarHBondContact O-N 3.5Å; Q363-T367 WeakPolarHBondContact O-CG2 3.4Å; Q363-T367 PolarHBondContact O-N 2.75Å |
| 364 | E | 89.8 | Confident | 90.6 | Very high | 94 Ų | 94 | 101.2 Ų | 101.2 | 44% | 0.439 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.5 | -49.2 | 175.8 | -74.6 | 171.2 | -169.5 | 0 | 0 | 110.7 | Q360 M366 T367 E368 | Q360-E364 WeakPolarHBondContact CG-OE1 3.47Å; Q360-E364 PolarHBondContact NE2-OE1 2.85Å; Q360-E364 WeakPolarHBondContact O-CG 3.29Å; Q360-E364 PolarHBondContact O-N 3.15Å; E364-M366 VanDerWaalsContact C-N 3.29Å; E364-M366 PolarHBondContact O-N 3.32Å; E364-T367 PolarHBondContact O-N 3.32Å; E364-T367 VanDerWaalsContact O-N 3.12Å; E364-T367 PolarHBondContact O-OG1 3.39Å; E364-E368 WeakPolarHBondContact O-CB 3.4Å; E364-E368 PolarHBondContact O-N 3.22Å |
| 365 | M | 92.8 | Very high | 91 | Very high | 119 Ų | 119 | 101.6 Ų | 101.6 | 59% | 0.586 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -54.2 | -41.5 | 173.2 | 178.9 | -171.6 | 66.3 | 0 | 0 | 112.6 | L361 T362 E368 K369 | L361-M365 VanDerWaalsContact O-CB 3.24Å; L361-M365 WeakPolarHBondContact O-CB 3.37Å; L361-M365 PolarHBondContact O-N 3.39Å; T362-M365 HydrophobicContact CG2-CE 4.29Å; M365-E368 PolarHBondContact O-N 3.26Å; M365-K369 WeakPolarHBondContact O-CB 3.27Å; M365-K369 PolarHBondContact O-N 2.9Å |
| 366 | M | 91.1 | Very high | 91 | Very high | 70 Ų | 70 | 99.5 Ų | 99.5 | 35% | 0.345 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.1 | -43.4 | 176.8 | -75.2 | -66.7 | -67.5 | 0 | 0 | 112.1 | T362 Q363 E364 E368 K369 E370 | T362-M366 VanDerWaalsContact O-CG 3.28Å; T362-M366 WeakPolarHBondContact O-CG 3.5Å; T362-M366 PolarHBondContact O-N 2.9Å; T362-M366 VanDerWaalsContact O-N 3.07Å; Q363-M366 PolarHBondContact O-N 3.5Å; E364-M366 VanDerWaalsContact C-N 3.29Å; E364-M366 PolarHBondContact O-N 3.32Å; M366-E368 VanDerWaalsContact C-N 3.29Å; M366-E368 PolarHBondContact O-N 2.68Å; M366-K369 PolarHBondContact O-N 2.99Å; M366-E370 WeakPolarHBondContact O-CG 3.49Å; M366-E370 PolarHBondContact O-N 2.9Å |
| 367 | T | 89.5 | Confident | 91 | Very high | 47 Ų | 47 | 96.8 Ų | 96.8 | 29% | 0.288 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.6 | -33.1 | 175.4 | 66.5 | 0 | 0 | 0 | 0 | 112.4 | Q363 E364 E370 R371 | Q363-T367 WeakPolarHBondContact O-CG2 3.4Å; Q363-T367 PolarHBondContact O-N 2.75Å; E364-T367 PolarHBondContact O-N 3.32Å; E364-T367 VanDerWaalsContact O-N 3.12Å; E364-T367 PolarHBondContact O-OG1 3.39Å; T367-E370 PolarHBondContact O-N 3.16Å; T367-R371 WeakPolarHBondContact O-CG 3.35Å; T367-R371 PolarHBondContact O-N 3.01Å; T367-R371 PolarHBondContact OG1-NH1 2.97Å |
| 368 | E | 85.1 | Confident | 91.1 | Very high | 105 Ų | 105 | 97 Ų | 97 | 49% | 0.491 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -75 | -35 | 178.4 | -161.8 | 52.3 | -144.9 | 0 | 0 | 112.1 | E364 M365 M366 E370 R371 S372 | E364-E368 WeakPolarHBondContact O-CB 3.4Å; E364-E368 PolarHBondContact O-N 3.22Å; M365-E368 PolarHBondContact O-N 3.26Å; M366-E368 VanDerWaalsContact C-N 3.29Å; M366-E368 PolarHBondContact O-N 2.68Å; E368-E370 VanDerWaalsContact C-N 3.32Å; E368-E370 PolarHBondContact O-N 3.49Å; E368-R371 PolarHBondContact O-N 3.45Å; E368-R371 IonicContact OE2-NH1 3.87Å; E368-R371 PolarHBondContact OE2-NH1 3.48Å; E368-S372 VanDerWaalsContact O-CB 3.26Å; E368-S372 WeakPolarHBondContact O-CB 3.39Å; E368-S372 PolarHBondContact O-N 3.15Å |
| 369 | K | 93.5 | Very high | 91.3 | Very high | 145 Ų | 145 | 98.9 Ų | 98.9 | 63% | 0.63 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.2 | -40.9 | 168 | -175.6 | -179.3 | 178 | -177 | 0 | 111.9 | M365 M366 S373 | M365-K369 WeakPolarHBondContact O-CB 3.27Å; M365-K369 PolarHBondContact O-N 2.9Å; M366-K369 PolarHBondContact O-N 2.99Å; K369-S373 WeakPolarHBondContact O-CB 3.47Å; K369-S373 PolarHBondContact O-N 2.98Å |
| 370 | E | 91.9 | Very high | 91.3 | Very high | 115 Ų | 115 | 100.6 Ų | 100.6 | 54% | 0.537 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66 | -45.7 | 174.5 | -73.6 | 174.5 | 179.2 | 0 | 0 | 111.9 | M366 T367 E368 S372 S373 V374 | M366-E370 WeakPolarHBondContact O-CG 3.49Å; M366-E370 PolarHBondContact O-N 2.9Å; T367-E370 PolarHBondContact O-N 3.16Å; E368-E370 VanDerWaalsContact C-N 3.32Å; E368-E370 PolarHBondContact O-N 3.49Å; E370-S372 PolarHBondContact O-N 3.09Å; E370-S373 WeakPolarHBondContact O-CB 3.25Å; E370-S373 PolarHBondContact O-N 3.23Å; E370-V374 WeakPolarHBondContact O-CG2 3.32Å; E370-V374 PolarHBondContact O-N 3.36Å |
| 371 | R | 93 | Very high | 91.4 | Very high | 144 Ų | 144 | 101 Ų | 101 | 54% | 0.543 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.7 | -48 | 174.2 | -73.1 | -171.5 | -170.5 | 90.4 | 7.7 | 112.1 | T367 E368 S373 V374 V375 | T367-R371 WeakPolarHBondContact O-CG 3.35Å; T367-R371 PolarHBondContact O-N 3.01Å; T367-R371 PolarHBondContact OG1-NH1 2.97Å; E368-R371 PolarHBondContact O-N 3.45Å; E368-R371 IonicContact OE2-NH1 3.87Å; E368-R371 PolarHBondContact OE2-NH1 3.48Å; R371-S373 VanDerWaalsContact C-N 3.33Å; R371-S373 PolarHBondContact O-N 2.97Å; R371-V374 PolarHBondContact O-N 3.01Å; R371-V375 WeakPolarHBondContact O-CG2 3.42Å; R371-V375 PolarHBondContact O-N 3.44Å |
| 372 | S | 88.5 | Confident | 91.5 | Very high | 57 Ų | 57 | 101.6 Ų | 101.6 | 40% | 0.399 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.7 | -43.2 | 176.7 | -179 | 0 | 0 | 0 | 0 | 111.8 | E368 E370 V374 V375 I376 | E368-S372 VanDerWaalsContact O-CB 3.26Å; E368-S372 WeakPolarHBondContact O-CB 3.39Å; E368-S372 PolarHBondContact O-N 3.15Å; E370-S372 PolarHBondContact O-N 3.09Å; S372-V374 PolarHBondContact O-N 3.01Å; S372-V375 PolarHBondContact O-N 2.93Å; S372-I376 VanDerWaalsContact O-CG1 3.31Å; S372-I376 WeakPolarHBondContact O-CG1 3.46Å; S372-I376 PolarHBondContact O-N 3.26Å |
| 373 | S | 91.3 | Very high | 91.6 | Very high | 75 Ų | 75 | 102.6 Ų | 102.6 | 52% | 0.524 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59 | -42.9 | 175 | -169.1 | 0 | 0 | 0 | 0 | 112.7 | K369 E370 R371 I376 A377 | K369-S373 WeakPolarHBondContact O-CB 3.47Å; K369-S373 PolarHBondContact O-N 2.98Å; E370-S373 WeakPolarHBondContact O-CB 3.25Å; E370-S373 PolarHBondContact O-N 3.23Å; R371-S373 VanDerWaalsContact C-N 3.33Å; R371-S373 PolarHBondContact O-N 2.97Å; S373-I376 PolarHBondContact O-N 3.38Å; S373-A377 PolarHBondContact O-N 3.5Å |
| 374 | V | 93.3 | Very high | 91.6 | Very high | 72 Ų | 72 | 97 Ų | 97 | 44% | 0.436 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.4 | -39.2 | 175.9 | 173 | 0 | 0 | 0 | 0 | 111.9 | E370 R371 S372 A377 R378 | E370-V374 WeakPolarHBondContact O-CG2 3.32Å; E370-V374 PolarHBondContact O-N 3.36Å; R371-V374 PolarHBondContact O-N 3.01Å; S372-V374 PolarHBondContact O-N 3.01Å; V374-A377 PolarHBondContact O-N 3.27Å; V374-R378 WeakPolarHBondContact O-CG 3.5Å; V374-R378 PolarHBondContact O-N 3.47Å |
| 375 | V | 91.4 | Very high | 91.7 | Very high | 74 Ų | 74 | 95.1 Ų | 95.1 | 45% | 0.448 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.4 | -45 | 174.8 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | R371 S372 A377 R378 M379 | R371-V375 WeakPolarHBondContact O-CG2 3.42Å; R371-V375 PolarHBondContact O-N 3.44Å; S372-V375 PolarHBondContact O-N 2.93Å; V375-A377 VanDerWaalsContact C-N 3.31Å; V375-A377 PolarHBondContact O-N 2.98Å; V375-R378 PolarHBondContact O-N 2.97Å; V375-M379 HydrophobicContact CG1-CG 4.42Å; V375-M379 WeakPolarHBondContact O-CG 3.39Å; V375-M379 PolarHBondContact O-N 3.32Å |
| 376 | I | 90.6 | Very high | 91.5 | Very high | 85 Ų | 85 | 93.4 Ų | 93.4 | 44% | 0.436 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.1 | -39.6 | 176.7 | -68.4 | 164.5 | 0 | 0 | 0 | 111.2 | S372 S373 M379 K380 | S372-I376 VanDerWaalsContact O-CG1 3.31Å; S372-I376 WeakPolarHBondContact O-CG1 3.46Å; S372-I376 PolarHBondContact O-N 3.26Å; S373-I376 PolarHBondContact O-N 3.38Å; I376-M379 PolarHBondContact O-N 3.27Å; I376-K380 HydrophobicContact CG2-CD 4.28Å; I376-K380 WeakPolarHBondContact O-CG 3.5Å; I376-K380 PolarHBondContact O-N 3.01Å |
| 377 | A | 93.2 | Very high | 91.5 | Very high | 48 Ų | 48 | 95.5 Ų | 95.5 | 40% | 0.397 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.2 | -49.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S373 V374 V375 M379 K380 D381 | S373-A377 PolarHBondContact O-N 3.5Å; V374-A377 PolarHBondContact O-N 3.27Å; V375-A377 VanDerWaalsContact C-N 3.31Å; V375-A377 PolarHBondContact O-N 2.98Å; A377-M379 VanDerWaalsContact C-N 3.3Å; A377-M379 PolarHBondContact O-N 3.32Å; A377-K380 PolarHBondContact O-N 3.38Å; A377-K380 VanDerWaalsContact O-N 3.17Å; A377-D381 PolarHBondContact O-N 2.98Å |
| 378 | R | 93.6 | Very high | 91.7 | Very high | 173 Ų | 173 | 100.1 Ų | 100.1 | 65% | 0.653 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.5 | -38.8 | 176.5 | -68.9 | 178.4 | -166.4 | 167.7 | 5.3 | 112.8 | V374 V375 D381 R382 | V374-R378 WeakPolarHBondContact O-CG 3.5Å; V374-R378 PolarHBondContact O-N 3.47Å; V375-R378 PolarHBondContact O-N 2.97Å; R378-D381 PolarHBondContact O-N 3.42Å; R378-R382 WeakPolarHBondContact O-CB 3.25Å; R378-R382 PolarHBondContact O-N 3.43Å |
| 379 | M | 91.5 | Very high | 91.9 | Very high | 116 Ų | 116 | 100 Ų | 100 | 57% | 0.571 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.4 | -40.4 | 177.1 | -70 | -61.9 | 176 | 0 | 0 | 111.7 | V375 I376 A377 R382 I383 | V375-M379 HydrophobicContact CG1-CG 4.42Å; V375-M379 WeakPolarHBondContact O-CG 3.39Å; V375-M379 PolarHBondContact O-N 3.32Å; I376-M379 PolarHBondContact O-N 3.27Å; A377-M379 VanDerWaalsContact C-N 3.3Å; A377-M379 PolarHBondContact O-N 3.32Å; M379-R382 PolarHBondContact O-N 2.99Å; M379-I383 WeakPolarHBondContact O-CB 3.31Å; M379-I383 WeakPolarHBondContact O-CD1 2.97Å; M379-I383 VanDerWaalsContact O-CG1 3.25Å; M379-I383 WeakPolarHBondContact O-CG1 3Å; M379-I383 PolarHBondContact O-N 3.28Å |
| 380 | K | 93.1 | Very high | 91.8 | Very high | 142 Ų | 142 | 98.7 Ų | 98.7 | 62% | 0.617 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.8 | -43.6 | 173.4 | -75.8 | 175.1 | 178.7 | 177 | 0 | 112.3 | I376 A377 R382 I383 G384 | I376-K380 HydrophobicContact CG2-CD 4.28Å; I376-K380 WeakPolarHBondContact O-CG 3.5Å; I376-K380 PolarHBondContact O-N 3.01Å; A377-K380 PolarHBondContact O-N 3.38Å; A377-K380 VanDerWaalsContact O-N 3.17Å; K380-R382 VanDerWaalsContact C-N 3.34Å; K380-R382 PolarHBondContact O-N 3.21Å; K380-I383 PolarHBondContact O-N 2.94Å; K380-G384 PolarHBondContact O-N 3.47Å |
| 381 | D | 93.5 | Very high | 91.7 | Very high | 116 Ų | 116 | 97.2 Ų | 97.2 | 62% | 0.62 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.3 | -42.6 | 175 | -73.4 | -17.7 | 0 | 0 | 0 | 111.1 | A377 R378 G384 T385 | A377-D381 PolarHBondContact O-N 2.98Å; R378-D381 PolarHBondContact O-N 3.42Å; D381-G384 CarbonylContact O-C 3.5Å; D381-G384 PolarHBondContact O-N 2.76Å; D381-T385 PolarHBondContact O-N 2.63Å |
| 382 | R | 92.6 | Very high | 91.7 | Very high | 128 Ų | 128 | 94.9 Ų | 94.9 | 48% | 0.483 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.8 | -44.3 | 177.2 | -173.1 | 61 | -177.5 | 136.7 | -5 | 111.9 | R378 M379 K380 G384 T385 L386 E389 | R378-R382 WeakPolarHBondContact O-CB 3.25Å; R378-R382 PolarHBondContact O-N 3.43Å; M379-R382 PolarHBondContact O-N 2.99Å; K380-R382 VanDerWaalsContact C-N 3.34Å; K380-R382 PolarHBondContact O-N 3.21Å; R382-G384 VanDerWaalsContact C-N 3.34Å; R382-G384 PolarHBondContact O-N 3.4Å; R382-T385 PolarHBondContact NH1-OG1 3.16Å; R382-T385 PolarHBondContact O-N 2.73Å; R382-T385 VanDerWaalsContact O-N 3.17Å; R382-T385 PolarHBondContact O-OG1 3.17Å; R382-L386 HydrophobicContact CG-CD1 4.25Å; R382-L386 WeakPolarHBondContact O-CG 3.39Å; R382-L386 PolarHBondContact O-N 2.78Å; R382-E389 IonicContact NH1-OE1 2.59Å |
| 383 | I | 90.9 | Very high | 92 | Very high | 92 Ų | 92 | 98.3 Ų | 98.3 | 47% | 0.472 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57 | -48.8 | 173.2 | -69.6 | 162.8 | 0 | 0 | 0 | 109.9 | M379 K380 T385 L386 E387 | M379-I383 WeakPolarHBondContact O-CB 3.31Å; M379-I383 WeakPolarHBondContact O-CD1 2.97Å; M379-I383 VanDerWaalsContact O-CG1 3.25Å; M379-I383 WeakPolarHBondContact O-CG1 3Å; M379-I383 PolarHBondContact O-N 3.28Å; K380-I383 PolarHBondContact O-N 2.94Å; I383-T385 VanDerWaalsContact C-N 3.28Å; I383-T385 PolarHBondContact O-N 2.6Å; I383-L386 PolarHBondContact O-N 3.1Å; I383-L386 VanDerWaalsContact O-N 3.07Å; I383-E387 HydrophobicContact CG2-CG 4.25Å; I383-E387 WeakPolarHBondContact CG2-OE1 3.43Å; I383-E387 WeakPolarHBondContact O-CG 3.34Å; I383-E387 PolarHBondContact O-N 2.97Å |
| 384 | G | 92.8 | Very high | 92 | Very high | 19 Ų | 19 | 99.7 Ų | 99.7 | 20% | 0.196 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -63.5 | -25.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | K380 D381 R382 K388 | K380-G384 PolarHBondContact O-N 3.47Å; D381-G384 CarbonylContact O-C 3.5Å; D381-G384 PolarHBondContact O-N 2.76Å; R382-G384 VanDerWaalsContact C-N 3.34Å; R382-G384 PolarHBondContact O-N 3.4Å; G384-K388 WeakPolarHBondContact O-CD 3.27Å; G384-K388 VanDerWaalsContact O-CG 3.27Å; G384-K388 WeakPolarHBondContact O-CG 3.47Å; G384-K388 PolarHBondContact O-N 3.25Å |
| 385 | T | 92.3 | Very high | 91.9 | Very high | 56 Ų | 56 | 101.4 Ų | 101.4 | 34% | 0.344 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -72.7 | -45.5 | 168.4 | 58.1 | 0 | 0 | 0 | 0 | 112.1 | D381 R382 I383 E387 K388 E389 | D381-T385 PolarHBondContact O-N 2.63Å; R382-T385 PolarHBondContact NH1-OG1 3.16Å; R382-T385 PolarHBondContact O-N 2.73Å; R382-T385 VanDerWaalsContact O-N 3.17Å; R382-T385 PolarHBondContact O-OG1 3.17Å; I383-T385 VanDerWaalsContact C-N 3.28Å; I383-T385 PolarHBondContact O-N 2.6Å; T385-E387 PolarHBondContact O-N 3.36Å; T385-K388 PolarHBondContact O-N 2.94Å; T385-E389 WeakPolarHBondContact O-CG 3.43Å; T385-E389 PolarHBondContact O-N 3.37Å |
| 386 | L | 89.8 | Confident | 92.1 | Very high | 83 Ų | 83 | 104.9 Ų | 104.9 | 44% | 0.435 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.8 | -38.1 | 179.6 | -69 | 169.3 | 0 | 0 | 0 | 112 | R382 I383 K388 E389 H390 | R382-L386 HydrophobicContact CG-CD1 4.25Å; R382-L386 WeakPolarHBondContact O-CG 3.39Å; R382-L386 PolarHBondContact O-N 2.78Å; I383-L386 PolarHBondContact O-N 3.1Å; I383-L386 VanDerWaalsContact O-N 3.07Å; L386-K388 VanDerWaalsContact C-N 3.34Å; L386-K388 PolarHBondContact O-N 3.35Å; L386-E389 PolarHBondContact O-N 2.9Å; L386-H390 WeakPolarHBondContact O-CB 3.21Å; L386-H390 PolarHBondContact O-N 3.01Å |
| 387 | E | 89.9 | Confident | 92 | Very high | 114 Ų | 114 | 106 Ų | 106 | 53% | 0.533 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 173.3 | -73 | 172.3 | 168.7 | 0 | 0 | 111.7 | I383 T385 N391 | I383-E387 HydrophobicContact CG2-CG 4.25Å; I383-E387 WeakPolarHBondContact CG2-OE1 3.43Å; I383-E387 WeakPolarHBondContact O-CG 3.34Å; I383-E387 PolarHBondContact O-N 2.97Å; T385-E387 PolarHBondContact O-N 3.36Å; E387-N391 PolarHBondContact O-N 3.46Å; E387-N391 PolarHBondContact O-ND2 3.01Å |
| 388 | K | 93.5 | Very high | 91.9 | Very high | 144 Ų | 144 | 109.9 Ų | 109.9 | 63% | 0.626 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.3 | -43.7 | 175.8 | -71.7 | 168.5 | -172.9 | 171.7 | 0 | 111.7 | G384 T385 L386 H390 N391 I392 | G384-K388 WeakPolarHBondContact O-CD 3.27Å; G384-K388 VanDerWaalsContact O-CG 3.27Å; G384-K388 WeakPolarHBondContact O-CG 3.47Å; G384-K388 PolarHBondContact O-N 3.25Å; T385-K388 PolarHBondContact O-N 2.94Å; L386-K388 VanDerWaalsContact C-N 3.34Å; L386-K388 PolarHBondContact O-N 3.35Å; K388-H390 VanDerWaalsContact C-N 3.33Å; K388-H390 PolarHBondContact O-N 3.48Å; K388-N391 PolarHBondContact O-N 2.84Å; K388-I392 WeakPolarHBondContact O-CB 3.47Å; K388-I392 WeakPolarHBondContact O-CD1 3.49Å; K388-I392 VanDerWaalsContact O-CG1 3.25Å; K388-I392 WeakPolarHBondContact O-CG1 3.34Å; K388-I392 PolarHBondContact O-N 3.46Å |
| 389 | E | 90.2 | Very high | 91.7 | Very high | 102 Ų | 102 | 103.8 Ų | 103.8 | 48% | 0.477 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.4 | -43.5 | 175.1 | -73.5 | 167 | -163.8 | 0 | 0 | 111.1 | R382 T385 L386 I392 F393 | R382-E389 IonicContact NH1-OE1 2.59Å; T385-E389 WeakPolarHBondContact O-CG 3.43Å; T385-E389 PolarHBondContact O-N 3.37Å; L386-E389 PolarHBondContact O-N 2.9Å; E389-I392 PolarHBondContact O-N 2.97Å; E389-F393 WeakPolarHBondContact O-CB 3.25Å; E389-F393 PolarHBondContact O-N 3.4Å |
| 390 | H | 90.1 | Very high | 91.5 | Very high | 118 Ų | 118 | 101.4 Ų | 101.4 | 55% | 0.546 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 176.1 | -172.6 | 78.1 | 0 | 0 | 0 | 112.5 | L386 K388 I392 F393 Q394 | L386-H390 WeakPolarHBondContact O-CB 3.21Å; L386-H390 PolarHBondContact O-N 3.01Å; K388-H390 VanDerWaalsContact C-N 3.33Å; K388-H390 PolarHBondContact O-N 3.48Å; H390-I392 VanDerWaalsContact C-N 3.35Å; H390-I392 PolarHBondContact O-N 3.48Å; H390-F393 PolarHBondContact O-N 3.18Å; H390-Q394 WeakPolarHBondContact O-CB 3.34Å; H390-Q394 PolarHBondContact O-N 3.4Å |
| 391 | N | 91.1 | Very high | 91.6 | Very high | 84 Ų | 84 | 101.2 Ų | 101.2 | 45% | 0.449 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 175.4 | -82.6 | -79.2 | 0 | 0 | 0 | 112.2 | E387 K388 Q394 N395 | E387-N391 PolarHBondContact O-N 3.46Å; E387-N391 PolarHBondContact O-ND2 3.01Å; K388-N391 PolarHBondContact O-N 2.84Å; N391-Q394 PolarHBondContact O-N 2.99Å; N391-N395 WeakPolarHBondContact O-CB 3.36Å; N391-N395 VanDerWaalsContact O-CG 3.27Å; N391-N395 PolarHBondContact O-N 3.44Å; N391-N395 PolarHBondContact O-ND2 3.2Å; N391-N395 VanDerWaalsContact O-ND2 3.16Å |
| 392 | I | 92.7 | Very high | 91.5 | Very high | 95 Ų | 95 | 101.9 Ų | 101.9 | 49% | 0.487 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64 | -42.1 | 175.2 | -69.3 | 163.6 | 0 | 0 | 0 | 110.6 | K388 E389 H390 K396 | K388-I392 WeakPolarHBondContact O-CB 3.47Å; K388-I392 WeakPolarHBondContact O-CD1 3.49Å; K388-I392 VanDerWaalsContact O-CG1 3.25Å; K388-I392 WeakPolarHBondContact O-CG1 3.34Å; K388-I392 PolarHBondContact O-N 3.46Å; E389-I392 PolarHBondContact O-N 2.97Å; H390-I392 VanDerWaalsContact C-N 3.35Å; H390-I392 PolarHBondContact O-N 3.48Å; I392-K396 HydrophobicContact CG2-CD 4.28Å; I392-K396 WeakPolarHBondContact O-CB 3.01Å; I392-K396 WeakPolarHBondContact O-CG 3.31Å; I392-K396 PolarHBondContact O-N 3.49Å |
| 393 | F | 94 | Very high | 91.3 | Very high | 128 Ų | 128 | 102 Ų | 102 | 56% | 0.561 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.8 | -44.8 | 176.9 | -178.8 | -104.6 | 0 | 0 | 0 | 112.1 | E389 H390 N395 K396 M397 | E389-F393 WeakPolarHBondContact O-CB 3.25Å; E389-F393 PolarHBondContact O-N 3.4Å; H390-F393 PolarHBondContact O-N 3.18Å; F393-N395 PolarHBondContact O-N 3.21Å; F393-K396 PolarHBondContact O-N 2.98Å; F393-M397 HydrophobicContact CD1-CE 4.02Å; F393-M397 HydrophobicContact CE1-CE 3.36Å; F393-M397 HydrophobicContact CZ-CE 3.98Å; F393-M397 WeakPolarHBondContact O-CB 3.43Å; F393-M397 PolarHBondContact O-N 3.37Å |
| 394 | Q | 91.6 | Very high | 91.1 | Very high | 104 Ų | 104 | 101.4 Ų | 101.4 | 49% | 0.486 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 176.3 | -170.4 | 178 | 21.9 | 0 | 0 | 111.7 | H390 N391 M397 H398 | H390-Q394 WeakPolarHBondContact O-CB 3.34Å; H390-Q394 PolarHBondContact O-N 3.4Å; N391-Q394 PolarHBondContact O-N 2.99Å; Q394-M397 PolarHBondContact O-N 3.13Å; Q394-H398 PolarHBondContact O-N 3.17Å |
| 395 | N | 92.6 | Very high | 91 | Very high | 108 Ų | 108 | 104.7 Ų | 104.7 | 58% | 0.578 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64 | -40.8 | 175.7 | -73.4 | -30 | 0 | 0 | 0 | 112.4 | N391 F393 H398 A399 | N391-N395 WeakPolarHBondContact O-CB 3.36Å; N391-N395 VanDerWaalsContact O-CG 3.27Å; N391-N395 PolarHBondContact O-N 3.44Å; N391-N395 PolarHBondContact O-ND2 3.2Å; N391-N395 VanDerWaalsContact O-ND2 3.16Å; F393-N395 PolarHBondContact O-N 3.21Å; N395-H398 PolarHBondContact O-N 3.43Å; N395-A399 WeakPolarHBondContact O-CB 3.36Å; N395-A399 PolarHBondContact O-N 3.16Å |
| 396 | K | 93.8 | Very high | 90.9 | Very high | 147 Ų | 147 | 107.6 Ų | 107.6 | 64% | 0.639 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.7 | -40.2 | 174 | -76.9 | 178.2 | 177.1 | -174.5 | 0 | 112.3 | I392 F393 A399 S400 | I392-K396 HydrophobicContact CG2-CD 4.28Å; I392-K396 WeakPolarHBondContact O-CB 3.01Å; I392-K396 WeakPolarHBondContact O-CG 3.31Å; I392-K396 PolarHBondContact O-N 3.49Å; F393-K396 PolarHBondContact O-N 2.98Å; K396-A399 PolarHBondContact O-N 2.88Å; K396-S400 VanDerWaalsContact O-CB 3.3Å; K396-S400 WeakPolarHBondContact O-CB 3.47Å; K396-S400 PolarHBondContact O-N 2.97Å |
| 397 | M | 88.8 | Confident | 90.9 | Very high | 110 Ų | 110 | 110.1 Ų | 110.1 | 54% | 0.542 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 176.4 | -169.3 | -165.9 | -58.1 | 0 | 0 | 111.1 | F393 Q394 S400 Y401 | F393-M397 HydrophobicContact CD1-CE 4.02Å; F393-M397 HydrophobicContact CE1-CE 3.36Å; F393-M397 HydrophobicContact CZ-CE 3.98Å; F393-M397 WeakPolarHBondContact O-CB 3.43Å; F393-M397 PolarHBondContact O-N 3.37Å; Q394-M397 PolarHBondContact O-N 3.13Å; M397-S400 PolarHBondContact O-N 3.13Å; M397-Y401 WeakPolarHBondContact O-CB 3.35Å; M397-Y401 PolarHBondContact O-N 3.37Å |
| 398 | H | 91.1 | Very high | 90.7 | Very high | 129 Ų | 129 | 111 Ų | 111 | 60% | 0.597 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.7 | -41 | 177.7 | -166.4 | 57.6 | 0 | 0 | 0 | 112.6 | Q394 N395 Y401 Q402 | Q394-H398 PolarHBondContact O-N 3.17Å; N395-H398 PolarHBondContact O-N 3.43Å; H398-Y401 PolarHBondContact O-N 3.31Å; H398-Q402 PolarHBondContact O-N 2.99Å |
| 399 | A | 90.5 | Very high | 90.6 | Very high | 45 Ų | 45 | 110.3 Ų | 110.3 | 37% | 0.372 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N395 K396 Y401 Q402 E403 | N395-A399 WeakPolarHBondContact O-CB 3.36Å; N395-A399 PolarHBondContact O-N 3.16Å; K396-A399 PolarHBondContact O-N 2.88Å; A399-Y401 VanDerWaalsContact C-N 3.31Å; A399-Y401 PolarHBondContact O-N 2.94Å; A399-Q402 WeakPolarHBondContact O-CB 3.41Å; A399-Q402 PolarHBondContact O-N 3.25Å; A399-Q402 VanDerWaalsContact O-N 3.12Å; A399-E403 PolarHBondContact O-N 3.01Å |
| 400 | S | 87.6 | Confident | 90.7 | Very high | 65 Ų | 65 | 110.9 Ų | 110.9 | 46% | 0.455 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.4 | -40.4 | 175.3 | 177.9 | 0 | 0 | 0 | 0 | 112.2 | K396 M397 E403 T404 | K396-S400 VanDerWaalsContact O-CB 3.3Å; K396-S400 WeakPolarHBondContact O-CB 3.47Å; K396-S400 PolarHBondContact O-N 2.97Å; M397-S400 PolarHBondContact O-N 3.13Å; S400-E403 PolarHBondContact O-N 3.31Å; S400-T404 WeakPolarHBondContact O-CB 3.35Å; S400-T404 PolarHBondContact O-N 3.46Å; S400-T404 PolarHBondContact O-OG1 3.2Å |
| 401 | Y | 93.4 | Very high | 90.7 | Very high | 139 Ų | 139 | 112 Ų | 112 | 55% | 0.545 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.8 | -42 | 173.9 | -177.1 | -102.8 | 0 | 0 | 0 | 112.1 | M397 H398 A399 T404 Q405 | M397-Y401 WeakPolarHBondContact O-CB 3.35Å; M397-Y401 PolarHBondContact O-N 3.37Å; H398-Y401 PolarHBondContact O-N 3.31Å; A399-Y401 VanDerWaalsContact C-N 3.31Å; A399-Y401 PolarHBondContact O-N 2.94Å; Y401-T404 WeakPolarHBondContact O-CB 3.43Å; Y401-T404 PolarHBondContact O-N 3.07Å; Y401-Q405 HydrophobicContact CE1-CG 4.2Å; Y401-Q405 VanDerWaalsContact CZ-NE2 3.34Å; Y401-Q405 WeakPolarHBondContact O-CG 3.34Å; Y401-Q405 PolarHBondContact O-N 2.89Å; Y401-Q405 PolarHBondContact OH-NE2 3.39Å; Y401-Q405 VanDerWaalsContact OH-NE2 3.1Å |
| 402 | Q | 92.9 | Very high | 90.9 | Very high | 129 Ų | 129 | 112.7 Ų | 112.7 | 60% | 0.603 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.9 | -40.3 | 176.7 | -168.3 | 175.7 | 17.3 | 0 | 0 | 112.5 | H398 A399 T404 Q405 Q406 | H398-Q402 PolarHBondContact O-N 2.99Å; A399-Q402 WeakPolarHBondContact O-CB 3.41Å; A399-Q402 PolarHBondContact O-N 3.25Å; A399-Q402 VanDerWaalsContact O-N 3.12Å; Q402-T404 VanDerWaalsContact C-N 3.35Å; Q402-Q405 PolarHBondContact O-N 2.84Å; Q402-Q406 PolarHBondContact O-N 3.4Å |
| 403 | E | 87.7 | Confident | 90.9 | Very high | 131 Ų | 131 | 114.4 Ų | 114.4 | 61% | 0.612 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -63.9 | -39.7 | 172.8 | -73.1 | -179.6 | 179.5 | 0 | 0 | 111.6 | A399 S400 Q406 M407 | A399-E403 PolarHBondContact O-N 3.01Å; S400-E403 PolarHBondContact O-N 3.31Å; E403-Q406 PolarHBondContact O-N 2.96Å; E403-M407 WeakPolarHBondContact O-CB 3.4Å; E403-M407 PolarHBondContact O-N 2.69Å |
| 404 | T | 87.6 | Confident | 90.7 | Very high | 79 Ų | 79 | 112.7 Ų | 112.7 | 49% | 0.485 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.5 | -46 | 175.4 | -58 | 0 | 0 | 0 | 0 | 111.3 | S400 Y401 Q402 Q406 M407 Q408 | S400-T404 WeakPolarHBondContact O-CB 3.35Å; S400-T404 PolarHBondContact O-N 3.46Å; S400-T404 PolarHBondContact O-OG1 3.2Å; Y401-T404 WeakPolarHBondContact O-CB 3.43Å; Y401-T404 PolarHBondContact O-N 3.07Å; Q402-T404 VanDerWaalsContact C-N 3.35Å; T404-Q406 VanDerWaalsContact C-N 3.34Å; T404-Q406 PolarHBondContact O-N 2.71Å; T404-M407 PolarHBondContact O-N 3.36Å; T404-Q408 WeakPolarHBondContact O-CB 3.4Å; T404-Q408 PolarHBondContact O-N 3.26Å |
| 405 | Q | 90.2 | Very high | 90.7 | Very high | 89 Ų | 89 | 111.6 Ų | 111.6 | 42% | 0.416 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.5 | -41.4 | 173.4 | -74.1 | -171.2 | -17.8 | 0 | 0 | 112.1 | Y401 Q402 M407 Q408 M409 | Y401-Q405 HydrophobicContact CE1-CG 4.2Å; Y401-Q405 VanDerWaalsContact CZ-NE2 3.34Å; Y401-Q405 WeakPolarHBondContact O-CG 3.34Å; Y401-Q405 PolarHBondContact O-N 2.89Å; Y401-Q405 PolarHBondContact OH-NE2 3.39Å; Y401-Q405 VanDerWaalsContact OH-NE2 3.1Å; Q402-Q405 PolarHBondContact O-N 2.84Å; Q405-M407 VanDerWaalsContact C-N 3.33Å; Q405-M407 PolarHBondContact O-N 3.37Å; Q405-Q408 PolarHBondContact O-N 2.95Å; Q405-M409 WeakPolarHBondContact O-CG 3.49Å; Q405-M409 PolarHBondContact O-N 2.68Å |
| 406 | Q | 90.1 | Very high | 90.7 | Very high | 116 Ų | 116 | 111.8 Ų | 111.8 | 54% | 0.542 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.9 | -37.8 | 176.8 | -163.1 | -168.8 | 43.3 | 0 | 0 | 111.9 | Q402 E403 T404 K410 | Q402-Q406 PolarHBondContact O-N 3.4Å; E403-Q406 PolarHBondContact O-N 2.96Å; T404-Q406 VanDerWaalsContact C-N 3.34Å; T404-Q406 PolarHBondContact O-N 2.71Å; Q406-K410 WeakPolarHBondContact O-CG 3.47Å; Q406-K410 PolarHBondContact O-N 2.84Å; Q406-K410 VanDerWaalsContact O-N 3.11Å |
| 407 | M | 90.1 | Very high | 90.6 | Very high | 137 Ų | 137 | 111.1 Ų | 111.1 | 68% | 0.675 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67 | -41.5 | 175.4 | -167.2 | -178 | -58.8 | 0 | 0 | 111.4 | E403 T404 Q405 K410 F411 | E403-M407 WeakPolarHBondContact O-CB 3.4Å; E403-M407 PolarHBondContact O-N 2.69Å; T404-M407 PolarHBondContact O-N 3.36Å; Q405-M407 VanDerWaalsContact C-N 3.33Å; Q405-M407 PolarHBondContact O-N 3.37Å; M407-K410 PolarHBondContact O-N 3.44Å; M407-F411 PolarHBondContact O-N 2.74Å |
| 408 | Q | 86.2 | Confident | 90.8 | Very high | 131 Ų | 131 | 111 Ų | 111 | 61% | 0.612 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.6 | -43.9 | 176.8 | -169.8 | 171.1 | 10.8 | 0 | 0 | 111.9 | T404 Q405 K410 F411 Q412 | T404-Q408 WeakPolarHBondContact O-CB 3.4Å; T404-Q408 PolarHBondContact O-N 3.26Å; Q405-Q408 PolarHBondContact O-N 2.95Å; Q408-K410 PolarHBondContact O-N 2.91Å; Q408-F411 PolarHBondContact O-N 3.46Å; Q408-Q412 PolarHBondContact O-N 3.17Å |
| 409 | M | 90.8 | Very high | 90.9 | Very high | 130 Ų | 130 | 109.7 Ų | 109.7 | 64% | 0.64 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.9 | -41.1 | 173.4 | -72.8 | -62.8 | -59 | 0 | 0 | 112.5 | Q405 Q412 Q413 | Q405-M409 WeakPolarHBondContact O-CG 3.49Å; Q405-M409 PolarHBondContact O-N 2.68Å; M409-Q412 PolarHBondContact O-N 2.83Å; M409-Q413 WeakPolarHBondContact O-CB 3.41Å; M409-Q413 PolarHBondContact O-N 3.41Å |
| 410 | K | 92.1 | Very high | 91 | Very high | 114 Ų | 114 | 110.5 Ų | 110.5 | 50% | 0.496 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.1 | -40.1 | 175.4 | -75.6 | 172.4 | 179.2 | 169.5 | 0 | 112.2 | Q406 M407 Q408 Q413 V414 | Q406-K410 WeakPolarHBondContact O-CG 3.47Å; Q406-K410 PolarHBondContact O-N 2.84Å; Q406-K410 VanDerWaalsContact O-N 3.11Å; M407-K410 PolarHBondContact O-N 3.44Å; Q408-K410 PolarHBondContact O-N 2.91Å; K410-Q413 PolarHBondContact O-N 3.43Å; K410-V414 WeakPolarHBondContact O-CG2 3.49Å; K410-V414 PolarHBondContact O-N 2.87Å |
| 411 | F | 90.5 | Very high | 91.3 | Very high | 143 Ų | 143 | 113.1 Ų | 113.1 | 63% | 0.627 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.7 | -45.9 | 175.9 | -176.6 | -91.5 | 0 | 0 | 0 | 110.8 | M407 Q408 Q413 V414 Q415 | M407-F411 PolarHBondContact O-N 2.74Å; Q408-F411 PolarHBondContact O-N 3.46Å; F411-Q413 PolarHBondContact O-N 2.83Å; F411-V414 PolarHBondContact O-N 3.29Å; F411-Q415 WeakPolarHBondContact O-CB 3.27Å; F411-Q415 PolarHBondContact O-N 3.08Å |
| 412 | Q | 93.9 | Very high | 91.2 | Very high | 97 Ų | 97 | 110 Ų | 110 | 45% | 0.453 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.8 | -40.9 | 176.5 | -173.7 | 162 | -4.5 | 0 | 0 | 112.3 | Q408 M409 V414 Q415 E416 | Q408-Q412 PolarHBondContact O-N 3.17Å; M409-Q412 PolarHBondContact O-N 2.83Å; Q412-V414 PolarHBondContact O-N 3.47Å; Q412-Q415 WeakPolarHBondContact O-CB 3.4Å; Q412-Q415 PolarHBondContact O-N 2.91Å; Q412-E416 WeakPolarHBondContact O-CG 3.38Å; Q412-E416 PolarHBondContact O-N 3.38Å |
| 413 | Q | 92.6 | Very high | 91.1 | Very high | 131 Ų | 131 | 106.5 Ų | 106.5 | 61% | 0.612 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.4 | -39.8 | 174.8 | -171.5 | 177.9 | 14.8 | 0 | 0 | 112.8 | M409 K410 F411 Q417 | M409-Q413 WeakPolarHBondContact O-CB 3.41Å; M409-Q413 PolarHBondContact O-N 3.41Å; K410-Q413 PolarHBondContact O-N 3.43Å; F411-Q413 PolarHBondContact O-N 2.83Å; Q413-Q417 WeakPolarHBondContact O-CB 3.46Å; Q413-Q417 PolarHBondContact O-N 3.37Å |
| 414 | V | 91.8 | Very high | 91.5 | Very high | 93 Ų | 93 | 104.9 Ų | 104.9 | 56% | 0.564 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.7 | -37.3 | 175.1 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | K410 F411 Q412 Q417 M418 | K410-V414 WeakPolarHBondContact O-CG2 3.49Å; K410-V414 PolarHBondContact O-N 2.87Å; F411-V414 PolarHBondContact O-N 3.29Å; Q412-V414 PolarHBondContact O-N 3.47Å; V414-Q417 PolarHBondContact O-N 2.91Å; V414-M418 WeakPolarHBondContact O-CB 3.48Å; V414-M418 PolarHBondContact O-N 2.96Å |
| 415 | Q | 90.3 | Very high | 91.7 | Very high | 81 Ų | 81 | 105 Ų | 105 | 38% | 0.379 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.8 | -48.7 | 174.2 | -177.1 | -179.3 | -18 | 0 | 0 | 111.3 | F411 Q412 Q417 M418 E419 | F411-Q415 WeakPolarHBondContact O-CB 3.27Å; F411-Q415 PolarHBondContact O-N 3.08Å; Q412-Q415 WeakPolarHBondContact O-CB 3.4Å; Q412-Q415 PolarHBondContact O-N 2.91Å; Q415-Q417 VanDerWaalsContact C-N 3.3Å; Q415-Q417 PolarHBondContact O-N 2.79Å; Q415-M418 PolarHBondContact O-N 3.15Å; Q415-E419 HydrophobicContact CG-CG 4.49Å; Q415-E419 WeakPolarHBondContact CG-OE1 3.25Å; Q415-E419 PolarHBondContact NE2-OE1 2.98Å; Q415-E419 WeakPolarHBondContact O-CG 3.48Å; Q415-E419 PolarHBondContact O-N 3.24Å |
| 416 | E | 93.9 | Very high | 91.8 | Very high | 112 Ų | 112 | 107.7 Ų | 107.7 | 52% | 0.523 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.4 | -39.8 | 176.5 | -73.7 | 172.8 | -168.1 | 0 | 0 | 112 | Q412 E419 A420 | Q412-E416 WeakPolarHBondContact O-CG 3.38Å; Q412-E416 PolarHBondContact O-N 3.38Å; E416-E419 PolarHBondContact O-N 2.99Å; E416-A420 WeakPolarHBondContact O-CB 3.39Å; E416-A420 PolarHBondContact O-N 3.26Å |
| 417 | Q | 91.6 | Very high | 92.1 | Very high | 133 Ų | 133 | 108.3 Ų | 108.3 | 62% | 0.621 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.7 | -44.8 | 174.7 | -175.9 | 176.9 | -7.6 | 0 | 0 | 112 | Q413 V414 Q415 A420 E421 | Q413-Q417 WeakPolarHBondContact O-CB 3.46Å; Q413-Q417 PolarHBondContact O-N 3.37Å; V414-Q417 PolarHBondContact O-N 2.91Å; Q415-Q417 VanDerWaalsContact C-N 3.3Å; Q415-Q417 PolarHBondContact O-N 2.79Å; Q417-A420 PolarHBondContact O-N 3.24Å; Q417-E421 PolarHBondContact O-N 2.99Å |
| 418 | M | 92.4 | Very high | 92.2 | Very high | 106 Ų | 106 | 105.9 Ų | 105.9 | 52% | 0.522 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.5 | -40 | 177.3 | -177.4 | 179.6 | 63.5 | 0 | 0 | 111.8 | V414 Q415 E421 I422 | V414-M418 WeakPolarHBondContact O-CB 3.48Å; V414-M418 PolarHBondContact O-N 2.96Å; Q415-M418 PolarHBondContact O-N 3.15Å; M418-E421 PolarHBondContact O-N 2.84Å; M418-I422 HydrophobicContact CG-CD1 3.97Å; M418-I422 WeakPolarHBondContact O-CB 3.44Å; M418-I422 VanDerWaalsContact O-CG1 3.26Å; M418-I422 WeakPolarHBondContact O-CG1 3.2Å; M418-I422 PolarHBondContact O-N 2.89Å |
| 419 | E | 92.6 | Very high | 92.5 | Very high | 103 Ų | 103 | 103.7 Ų | 103.7 | 48% | 0.481 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65 | -39.3 | 175.8 | -74.7 | 179.8 | -160.4 | 0 | 0 | 111.9 | Q415 E416 I422 A423 | Q415-E419 HydrophobicContact CG-CG 4.49Å; Q415-E419 WeakPolarHBondContact CG-OE1 3.25Å; Q415-E419 PolarHBondContact NE2-OE1 2.98Å; Q415-E419 WeakPolarHBondContact O-CG 3.48Å; Q415-E419 PolarHBondContact O-N 3.24Å; E416-E419 PolarHBondContact O-N 2.99Å; E419-I422 PolarHBondContact O-N 3.32Å; E419-A423 WeakPolarHBondContact O-CB 3.32Å; E419-A423 PolarHBondContact O-N 3.4Å |
| 420 | A | 92.7 | Very high | 92.7 | Very high | 61 Ų | 61 | 98.4 Ų | 98.4 | 50% | 0.504 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.2 | -41 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E416 Q417 A423 H424 | E416-A420 WeakPolarHBondContact O-CB 3.39Å; E416-A420 PolarHBondContact O-N 3.26Å; Q417-A420 PolarHBondContact O-N 3.24Å; A420-A423 WeakPolarHBondContact O-CB 3.42Å; A420-A423 PolarHBondContact O-N 3.47Å; A420-H424 PolarHBondContact O-N 3.47Å |
| 421 | E | 93.2 | Very high | 92.7 | Very high | 121 Ų | 121 | 97.9 Ų | 97.9 | 57% | 0.565 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -69.1 | -38.3 | 176.6 | -169.5 | 163.4 | -161.7 | 0 | 0 | 112 | Q417 M418 A423 H424 L425 | Q417-E421 PolarHBondContact O-N 2.99Å; M418-E421 PolarHBondContact O-N 2.84Å; E421-A423 VanDerWaalsContact C-N 3.33Å; E421-A423 PolarHBondContact O-N 3.22Å; E421-H424 PolarHBondContact O-N 3.45Å; E421-L425 HydrophobicContact CG-CD1 4.4Å; E421-L425 WeakPolarHBondContact O-CB 3.23Å; E421-L425 WeakPolarHBondContact O-CG 3.25Å; E421-L425 PolarHBondContact O-N 2.7Å |
| 422 | I | 92.3 | Very high | 92.9 | Very high | 73 Ų | 73 | 95.5 Ų | 95.5 | 37% | 0.374 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 170.4 | -70.9 | 166 | 0 | 0 | 0 | 111.1 | M418 E419 K426 | M418-I422 HydrophobicContact CG-CD1 3.97Å; M418-I422 WeakPolarHBondContact O-CB 3.44Å; M418-I422 VanDerWaalsContact O-CG1 3.26Å; M418-I422 WeakPolarHBondContact O-CG1 3.2Å; M418-I422 PolarHBondContact O-N 2.89Å; E419-I422 PolarHBondContact O-N 3.32Å; I422-K426 HydrophobicContact CG2-CD 4.04Å; I422-K426 WeakPolarHBondContact O-CB 3.36Å; I422-K426 VanDerWaalsContact O-CG 3.24Å; I422-K426 WeakPolarHBondContact O-CG 3.1Å; I422-K426 PolarHBondContact O-N 3.4Å |
| 423 | A | 91.5 | Very high | 92.9 | Very high | 55 Ų | 55 | 98.8 Ų | 98.8 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.3 | -42.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E419 A420 E421 K426 Q427 | E419-A423 WeakPolarHBondContact O-CB 3.32Å; E419-A423 PolarHBondContact O-N 3.4Å; A420-A423 WeakPolarHBondContact O-CB 3.42Å; A420-A423 PolarHBondContact O-N 3.47Å; E421-A423 VanDerWaalsContact C-N 3.33Å; E421-A423 PolarHBondContact O-N 3.22Å; A423-K426 PolarHBondContact O-N 3.46Å; A423-Q427 PolarHBondContact O-N 3.49Å |
| 424 | H | 94.6 | Very high | 93 | Very high | 98 Ų | 98 | 98.1 Ų | 98.1 | 45% | 0.454 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.3 | -50.9 | 174.2 | -173.3 | -92.3 | 0 | 0 | 0 | 111.8 | A420 E421 K426 Q427 E428 | A420-H424 PolarHBondContact O-N 3.47Å; E421-H424 PolarHBondContact O-N 3.45Å; H424-K426 VanDerWaalsContact C-N 3.29Å; H424-K426 PolarHBondContact O-N 2.98Å; H424-Q427 WeakPolarHBondContact O-CA 3.06Å; H424-Q427 WeakPolarHBondContact O-CB 3.19Å; H424-Q427 PolarHBondContact O-N 3.5Å; H424-E428 IonicContact CE1-OE1 2.91Å; H424-E428 PolarHBondContact CE1-OE1 3.44Å; H424-E428 VanDerWaalsContact CE1-OE1 3.25Å; H424-E428 IonicContact CE1-OE2 2.76Å; H424-E428 IonicContact ND1-OE1 2.66Å; H424-E428 IonicContact ND1-OE2 2.79Å; H424-E428 PolarHBondContact ND1-OE2 2.98Å; H424-E428 PolarHBondContact O-N 3.4Å |
| 425 | L | 93.6 | Very high | 93 | Very high | 82 Ų | 82 | 96 Ų | 96 | 43% | 0.429 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.4 | -35.5 | 177.1 | -71.6 | 169.6 | 0 | 0 | 0 | 112.1 | E421 Q427 N429 | E421-L425 HydrophobicContact CG-CD1 4.4Å; E421-L425 WeakPolarHBondContact O-CB 3.23Å; E421-L425 WeakPolarHBondContact O-CG 3.25Å; E421-L425 PolarHBondContact O-N 2.7Å; L425-Q427 VanDerWaalsContact C-N 3.35Å; L425-N429 WeakPolarHBondContact O-CB 3.17Å; L425-N429 PolarHBondContact O-N 3.23Å; L425-N429 PolarHBondContact O-ND2 3.49Å |
| 426 | K | 92.1 | Very high | 93.1 | Very high | 145 Ų | 145 | 95.7 Ų | 95.7 | 63% | 0.63 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.7 | -37.8 | 172.4 | -78.8 | 170.2 | -179.7 | 172.3 | 0 | 112.1 | I422 A423 H424 G430 | I422-K426 HydrophobicContact CG2-CD 4.04Å; I422-K426 WeakPolarHBondContact O-CB 3.36Å; I422-K426 VanDerWaalsContact O-CG 3.24Å; I422-K426 WeakPolarHBondContact O-CG 3.1Å; I422-K426 PolarHBondContact O-N 3.4Å; A423-K426 PolarHBondContact O-N 3.46Å; H424-K426 VanDerWaalsContact C-N 3.29Å; H424-K426 PolarHBondContact O-N 2.98Å; K426-G430 PolarHBondContact O-N 3.21Å |
| 427 | Q | 96 | Very high | 93.1 | Very high | 128 Ų | 128 | 93.2 Ų | 93.2 | 60% | 0.598 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67.7 | -46.8 | 175.4 | -176.5 | 179 | -4.5 | 0 | 0 | 111.6 | A423 H424 L425 N429 G430 I431 | A423-Q427 PolarHBondContact O-N 3.49Å; H424-Q427 WeakPolarHBondContact O-CA 3.06Å; H424-Q427 WeakPolarHBondContact O-CB 3.19Å; H424-Q427 PolarHBondContact O-N 3.5Å; L425-Q427 VanDerWaalsContact C-N 3.35Å; Q427-N429 PolarHBondContact O-N 3.44Å; Q427-G430 WeakPolarHBondContact O-CA 3.45Å; Q427-G430 PolarHBondContact O-N 3.14Å; Q427-I431 HydrophobicContact CG-CD1 4.31Å; Q427-I431 WeakPolarHBondContact O-CG1 3.35Å; Q427-I431 PolarHBondContact O-N 3.22Å |
| 428 | E | 92.3 | Very high | 93.1 | Very high | 87 Ų | 87 | 92.3 Ų | 92.3 | 41% | 0.407 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.3 | -44 | 175.5 | -70.7 | -174.9 | 134.6 | 0 | 0 | 111.7 | H424 G430 I431 L432 | H424-E428 IonicContact CE1-OE1 2.91Å; H424-E428 PolarHBondContact CE1-OE1 3.44Å; H424-E428 VanDerWaalsContact CE1-OE1 3.25Å; H424-E428 IonicContact CE1-OE2 2.76Å; H424-E428 IonicContact ND1-OE1 2.66Å; H424-E428 IonicContact ND1-OE2 2.79Å; H424-E428 PolarHBondContact ND1-OE2 2.98Å; H424-E428 PolarHBondContact O-N 3.4Å; E428-G430 PolarHBondContact O-N 3.48Å; E428-I431 PolarHBondContact O-N 3.02Å; E428-L432 WeakPolarHBondContact O-CB 3.21Å; E428-L432 WeakPolarHBondContact O-CG 3.49Å; E428-L432 PolarHBondContact O-N 3.02Å |
| 429 | N | 91.4 | Very high | 93.1 | Very high | 84 Ų | 84 | 91.5 Ų | 91.5 | 45% | 0.449 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.2 | -24.1 | 172.6 | -79.4 | -70.1 | 0 | 0 | 0 | 113.2 | L425 Q427 R433 | L425-N429 WeakPolarHBondContact O-CB 3.17Å; L425-N429 PolarHBondContact O-N 3.23Å; L425-N429 PolarHBondContact O-ND2 3.49Å; Q427-N429 PolarHBondContact O-N 3.44Å; N429-R433 WeakPolarHBondContact O-CB 3.22Å; N429-R433 WeakPolarHBondContact O-CG 3.34Å; N429-R433 PolarHBondContact O-N 2.98Å; N429-R433 PolarHBondContact O-NE 3.43Å |
| 430 | G | 94.8 | Very high | 93 | Very high | 20 Ų | 20 | 87.8 Ų | 87.8 | 21% | 0.206 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -64.7 | -57.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111 | K426 Q427 E428 L432 R433 D434 | K426-G430 PolarHBondContact O-N 3.21Å; Q427-G430 WeakPolarHBondContact O-CA 3.45Å; Q427-G430 PolarHBondContact O-N 3.14Å; E428-G430 PolarHBondContact O-N 3.48Å; G430-L432 VanDerWaalsContact C-N 3.3Å; G430-L432 PolarHBondContact O-N 3.43Å; G430-R433 PolarHBondContact O-N 3.46Å; G430-D434 PolarHBondContact O-N 2.95Å |
| 431 | I | 93.6 | Very high | 92.9 | Very high | 102 Ų | 102 | 88.9 Ų | 88.9 | 52% | 0.523 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -56.7 | -42 | -180 | -63.2 | 165.7 | 0 | 0 | 0 | 111.6 | Q427 E428 D434 A435 | Q427-I431 HydrophobicContact CG-CD1 4.31Å; Q427-I431 WeakPolarHBondContact O-CG1 3.35Å; Q427-I431 PolarHBondContact O-N 3.22Å; E428-I431 PolarHBondContact O-N 3.02Å; I431-D434 PolarHBondContact O-N 3.49Å; I431-A435 WeakPolarHBondContact O-CB 3.35Å; I431-A435 PolarHBondContact O-N 3.31Å |
| 432 | L | 93.3 | Very high | 92.8 | Very high | 94 Ų | 94 | 88.2 Ų | 88.2 | 49% | 0.492 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.4 | -41.2 | 176.7 | -71 | 173.6 | 0 | 0 | 0 | 112.2 | E428 G430 A435 V436 | E428-L432 WeakPolarHBondContact O-CB 3.21Å; E428-L432 WeakPolarHBondContact O-CG 3.49Å; E428-L432 PolarHBondContact O-N 3.02Å; G430-L432 VanDerWaalsContact C-N 3.3Å; G430-L432 PolarHBondContact O-N 3.43Å; L432-A435 PolarHBondContact O-N 2.94Å; L432-V436 WeakPolarHBondContact O-CB 3.5Å; L432-V436 VanDerWaalsContact O-CG2 3.28Å; L432-V436 WeakPolarHBondContact O-CG2 3.48Å; L432-V436 PolarHBondContact O-N 2.89Å |
| 433 | R | 94.4 | Very high | 92.8 | Very high | 166 Ų | 166 | 88.7 Ų | 88.7 | 63% | 0.626 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64.9 | -40 | 174.2 | -80.3 | 178.5 | -67.4 | -161.4 | 1.3 | 112 | N429 G430 V436 S437 | N429-R433 WeakPolarHBondContact O-CB 3.22Å; N429-R433 WeakPolarHBondContact O-CG 3.34Å; N429-R433 PolarHBondContact O-N 2.98Å; N429-R433 PolarHBondContact O-NE 3.43Å; G430-R433 PolarHBondContact O-N 3.46Å; R433-V436 PolarHBondContact O-N 3.39Å; R433-S437 VanDerWaalsContact O-CB 3.26Å; R433-S437 WeakPolarHBondContact O-CB 3.22Å; R433-S437 PolarHBondContact O-N 2.98Å |
| 434 | D | 93.9 | Very high | 92.6 | Very high | 116 Ų | 116 | 90 Ų | 90 | 62% | 0.62 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -66.8 | -39.9 | 176.7 | -68.1 | -20.8 | 0 | 0 | 0 | 111.3 | G430 I431 S437 N438 | G430-D434 PolarHBondContact O-N 2.95Å; I431-D434 PolarHBondContact O-N 3.49Å; D434-S437 PolarHBondContact O-N 3.01Å; D434-N438 VanDerWaalsContact O-CB 3.24Å; D434-N438 WeakPolarHBondContact O-CB 3.5Å; D434-N438 PolarHBondContact O-N 3.26Å |
| 435 | A | 93.4 | Very high | 92.4 | Very high | 50 Ų | 50 | 89 Ų | 89 | 41% | 0.413 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I431 L432 N438 T439 | I431-A435 WeakPolarHBondContact O-CB 3.35Å; I431-A435 PolarHBondContact O-N 3.31Å; L432-A435 PolarHBondContact O-N 2.94Å; A435-N438 PolarHBondContact O-N 3.46Å; A435-T439 WeakPolarHBondContact O-CB 3.37Å; A435-T439 WeakPolarHBondContact O-CG2 3.46Å; A435-T439 PolarHBondContact O-N 2.89Å; A435-T439 PolarHBondContact O-OG1 3.38Å |
| 436 | V | 91.8 | Very high | 92.4 | Very high | 73 Ų | 73 | 90.6 Ų | 90.6 | 44% | 0.442 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.9 | -45 | 173.8 | 169.7 | 0 | 0 | 0 | 0 | 110.6 | L432 R433 N438 T439 T440 | L432-V436 WeakPolarHBondContact O-CB 3.5Å; L432-V436 VanDerWaalsContact O-CG2 3.28Å; L432-V436 WeakPolarHBondContact O-CG2 3.48Å; L432-V436 PolarHBondContact O-N 2.89Å; R433-V436 PolarHBondContact O-N 3.39Å; V436-N438 PolarHBondContact O-N 2.72Å; V436-T439 WeakPolarHBondContact CA-OG1 3.3Å; V436-T439 PolarHBondContact O-N 2.71Å; V436-T439 PolarHBondContact O-OG1 3.44Å; V436-T440 VanDerWaalsContact O-CB 3.23Å; V436-T440 WeakPolarHBondContact O-CB 3.16Å; V436-T440 PolarHBondContact O-N 2.93Å; V436-T440 PolarHBondContact O-OG1 3.24Å |
| 437 | S | 93.3 | Very high | 92.3 | Very high | 60 Ų | 60 | 86.8 Ų | 86.8 | 42% | 0.42 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.9 | -44.9 | 176.2 | -175.7 | 0 | 0 | 0 | 0 | 111.9 | R433 D434 T440 N441 | R433-S437 VanDerWaalsContact O-CB 3.26Å; R433-S437 WeakPolarHBondContact O-CB 3.22Å; R433-S437 PolarHBondContact O-N 2.98Å; D434-S437 PolarHBondContact O-N 3.01Å; S437-T440 WeakPolarHBondContact O-CB 3.37Å; S437-T440 PolarHBondContact O-N 3Å; S437-N441 WeakPolarHBondContact O-CB 3.46Å; S437-N441 PolarHBondContact O-N 3.35Å; S437-N441 PolarHBondContact O-ND2 2.91Å; S437-N441 VanDerWaalsContact O-ND2 3.13Å |
| 438 | N | 92.6 | Very high | 92 | Very high | 114 Ų | 114 | 83.9 Ų | 83.9 | 61% | 0.61 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -68.7 | -41.7 | -179.8 | -163.5 | 12.3 | 0 | 0 | 0 | 112.5 | D434 A435 V436 T440 N441 Q442 | D434-N438 VanDerWaalsContact O-CB 3.24Å; D434-N438 WeakPolarHBondContact O-CB 3.5Å; D434-N438 PolarHBondContact O-N 3.26Å; A435-N438 PolarHBondContact O-N 3.46Å; V436-N438 PolarHBondContact O-N 2.72Å; N438-T440 VanDerWaalsContact C-N 3.34Å; N438-N441 PolarHBondContact O-N 3.28Å; N438-Q442 WeakPolarHBondContact O-CB 3.22Å; N438-Q442 PolarHBondContact O-N 2.76Å |
| 439 | T | 91.6 | Very high | 92 | Very high | 90 Ų | 90 | 82.5 Ų | 82.5 | 55% | 0.552 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -66.6 | -35.7 | 173.6 | 50.8 | 0 | 0 | 0 | 0 | 112.3 | A435 V436 Q442 L443 | A435-T439 WeakPolarHBondContact O-CB 3.37Å; A435-T439 WeakPolarHBondContact O-CG2 3.46Å; A435-T439 PolarHBondContact O-N 2.89Å; A435-T439 PolarHBondContact O-OG1 3.38Å; V436-T439 WeakPolarHBondContact CA-OG1 3.3Å; V436-T439 PolarHBondContact O-N 2.71Å; V436-T439 PolarHBondContact O-OG1 3.44Å; T439-Q442 PolarHBondContact O-N 3.44Å; T439-L443 WeakPolarHBondContact O-CB 3.43Å; T439-L443 PolarHBondContact O-N 3.43Å |
| 440 | T | 91.8 | Very high | 92.1 | Very high | 25 Ų | 25 | 85.1 Ų | 85.1 | 15% | 0.153 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -58.3 | -58.7 | 170.3 | -60.1 | 0 | 0 | 0 | 0 | 110.4 | Q41 V436 S437 N438 Q442 L443 E444 | Q41-T440 PolarHBondContact NE2-OG1 3.02Å; V436-T440 VanDerWaalsContact O-CB 3.23Å; V436-T440 WeakPolarHBondContact O-CB 3.16Å; V436-T440 PolarHBondContact O-N 2.93Å; V436-T440 PolarHBondContact O-OG1 3.24Å; S437-T440 WeakPolarHBondContact O-CB 3.37Å; S437-T440 PolarHBondContact O-N 3Å; N438-T440 VanDerWaalsContact C-N 3.34Å; T440-Q442 PolarHBondContact O-N 3.43Å; T440-L443 CarbonylContact O-C 3.54Å; T440-L443 WeakPolarHBondContact O-CA 3.49Å; T440-L443 WeakPolarHBondContact O-CB 3.43Å; T440-L443 PolarHBondContact O-N 3.49Å; T440-E444 HydrophobicContact CG2-CG 4.12Å; T440-E444 WeakPolarHBondContact O-CG 3.4Å; T440-E444 PolarHBondContact O-N 2.89Å |
| 441 | N | 90.1 | Very high | 91.9 | Very high | 83 Ų | 83 | 88.4 Ų | 88.4 | 44% | 0.444 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -57.6 | -37.7 | -179.1 | -66 | -25.6 | 0 | 0 | 0 | 111.8 | S437 N438 E444 S445 | S437-N441 WeakPolarHBondContact O-CB 3.46Å; S437-N441 PolarHBondContact O-N 3.35Å; S437-N441 PolarHBondContact O-ND2 2.91Å; S437-N441 VanDerWaalsContact O-ND2 3.13Å; N438-N441 PolarHBondContact O-N 3.28Å; N441-E444 PolarHBondContact O-N 2.85Å; N441-S445 VanDerWaalsContact O-CB 3.28Å; N441-S445 WeakPolarHBondContact O-CB 3.49Å; N441-S445 PolarHBondContact O-N 3.21Å |
| 442 | Q | 91.2 | Very high | 91.8 | Very high | 108 Ų | 108 | 88 Ų | 88 | 51% | 0.505 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.3 | -38.8 | 174 | -164.6 | -168.5 | 89.4 | 0 | 0 | 112.3 | N438 T439 T440 K446 | N438-Q442 WeakPolarHBondContact O-CB 3.22Å; N438-Q442 PolarHBondContact O-N 2.76Å; T439-Q442 PolarHBondContact O-N 3.44Å; T440-Q442 PolarHBondContact O-N 3.43Å; Q442-K446 HydrophobicContact CG-CD 4.46Å; Q442-K446 WeakPolarHBondContact O-CB 3.36Å; Q442-K446 VanDerWaalsContact O-CG 3.31Å; Q442-K446 WeakPolarHBondContact O-CG 3.35Å; Q442-K446 PolarHBondContact O-N 2.83Å |
| 443 | L | 90.8 | Very high | 91.9 | Very high | 82 Ų | 82 | 89.7 Ų | 89.7 | 43% | 0.429 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.4 | -42.5 | 175 | -178.3 | 64.4 | 0 | 0 | 0 | 111.7 | T439 T440 S445 K446 Q447 | T439-L443 WeakPolarHBondContact O-CB 3.43Å; T439-L443 PolarHBondContact O-N 3.43Å; T440-L443 CarbonylContact O-C 3.54Å; T440-L443 WeakPolarHBondContact O-CA 3.49Å; T440-L443 WeakPolarHBondContact O-CB 3.43Å; T440-L443 PolarHBondContact O-N 3.49Å; L443-S445 VanDerWaalsContact C-N 3.32Å; L443-S445 PolarHBondContact O-N 2.92Å; L443-K446 PolarHBondContact O-N 3.3Å; L443-Q447 HydrophobicContact CD1-CG 4.49Å; L443-Q447 WeakPolarHBondContact O-CB 3.43Å; L443-Q447 WeakPolarHBondContact O-CG 3.38Å; L443-Q447 PolarHBondContact O-N 3.09Å |
| 444 | E | 87.8 | Confident | 91.8 | Very high | 82 Ų | 82 | 87.2 Ų | 87.2 | 38% | 0.383 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 175.2 | -51.7 | -142.7 | 121 | 0 | 0 | 111.3 | Q45 T440 N441 Q447 S448 | Q45-E444 VanDerWaalsContact NE2-CD 3.26Å; Q45-E444 PolarHBondContact NE2-OE1 2.76Å; T440-E444 HydrophobicContact CG2-CG 4.12Å; T440-E444 WeakPolarHBondContact O-CG 3.4Å; T440-E444 PolarHBondContact O-N 2.89Å; N441-E444 PolarHBondContact O-N 2.85Å; E444-Q447 PolarHBondContact O-N 3.31Å; E444-S448 VanDerWaalsContact O-CB 3.31Å; E444-S448 WeakPolarHBondContact O-CB 3.43Å; E444-S448 PolarHBondContact O-N 3.09Å; E444-S448 PolarHBondContact O-OG 3.23Å |
| 445 | S | 91.3 | Very high | 91.8 | Very high | 79 Ų | 79 | 89.8 Ų | 89.8 | 55% | 0.552 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.7 | -45.7 | 175.7 | -176 | 0 | 0 | 0 | 0 | 111.8 | N441 L443 S448 A449 | N441-S445 VanDerWaalsContact O-CB 3.28Å; N441-S445 WeakPolarHBondContact O-CB 3.49Å; N441-S445 PolarHBondContact O-N 3.21Å; L443-S445 VanDerWaalsContact C-N 3.32Å; L443-S445 PolarHBondContact O-N 2.92Å; S445-S448 PolarHBondContact O-N 3.38Å; S445-A449 PolarHBondContact O-N 2.86Å |
| 446 | K | 92.4 | Very high | 91.8 | Very high | 115 Ų | 115 | 92.7 Ų | 92.7 | 50% | 0.5 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.4 | -48.1 | 175.3 | -77.8 | 169.1 | 174.2 | 170.2 | 0 | 112.1 | Q442 L443 S448 A449 E450 | Q442-K446 HydrophobicContact CG-CD 4.46Å; Q442-K446 WeakPolarHBondContact O-CB 3.36Å; Q442-K446 VanDerWaalsContact O-CG 3.31Å; Q442-K446 WeakPolarHBondContact O-CG 3.35Å; Q442-K446 PolarHBondContact O-N 2.83Å; L443-K446 PolarHBondContact O-N 3.3Å; K446-S448 VanDerWaalsContact C-N 3.3Å; K446-S448 PolarHBondContact O-N 3.43Å; K446-A449 WeakPolarHBondContact O-CB 3.35Å; K446-A449 PolarHBondContact O-N 2.73Å; K446-E450 PolarHBondContact O-N 2.76Å |
| 447 | Q | 90.1 | Very high | 91.8 | Very high | 65 Ų | 65 | 91.7 Ų | 91.7 | 30% | 0.304 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.3 | -40.3 | 175.5 | -74.3 | -171.7 | 51 | 0 | 0 | 111.9 | L443 E444 A449 E450 L451 | L443-Q447 HydrophobicContact CD1-CG 4.49Å; L443-Q447 WeakPolarHBondContact O-CB 3.43Å; L443-Q447 WeakPolarHBondContact O-CG 3.38Å; L443-Q447 PolarHBondContact O-N 3.09Å; E444-Q447 PolarHBondContact O-N 3.31Å; Q447-A449 VanDerWaalsContact C-N 3.35Å; Q447-A449 PolarHBondContact O-N 2.68Å; Q447-E450 PolarHBondContact O-N 2.84Å; Q447-L451 VanDerWaalsContact O-CB 3.27Å; Q447-L451 WeakPolarHBondContact O-CB 3.09Å; Q447-L451 PolarHBondContact O-N 3.46Å |
| 448 | S | 90.3 | Very high | 91.6 | Very high | 66 Ų | 66 | 92.1 Ų | 92.1 | 46% | 0.462 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.2 | -39 | 176.1 | -61.2 | 0 | 0 | 0 | 0 | 112.1 | E444 S445 K446 N452 | E444-S448 VanDerWaalsContact O-CB 3.31Å; E444-S448 WeakPolarHBondContact O-CB 3.43Å; E444-S448 PolarHBondContact O-N 3.09Å; E444-S448 PolarHBondContact O-OG 3.23Å; S445-S448 PolarHBondContact O-N 3.38Å; K446-S448 VanDerWaalsContact C-N 3.3Å; K446-S448 PolarHBondContact O-N 3.43Å; S448-N452 WeakPolarHBondContact O-CB 3.35Å; S448-N452 VanDerWaalsContact O-CG 3.27Å; S448-N452 PolarHBondContact O-N 2.87Å; S448-N452 PolarHBondContact O-ND2 3.47Å |
| 449 | A | 92.4 | Very high | 91.6 | Very high | 59 Ų | 59 | 88.4 Ų | 88.4 | 49% | 0.488 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.9 | -42.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S445 K446 Q447 N452 K453 | S445-A449 PolarHBondContact O-N 2.86Å; K446-A449 WeakPolarHBondContact O-CB 3.35Å; K446-A449 PolarHBondContact O-N 2.73Å; Q447-A449 VanDerWaalsContact C-N 3.35Å; Q447-A449 PolarHBondContact O-N 2.68Å; A449-N452 PolarHBondContact O-N 2.77Å; A449-K453 WeakPolarHBondContact O-CB 3.25Å; A449-K453 PolarHBondContact O-N 2.66Å |
| 450 | E | 92.8 | Very high | 91.7 | Very high | 138 Ų | 138 | 89 Ų | 89 | 65% | 0.645 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64.2 | -41.6 | 174.6 | -73.8 | -177.9 | 178 | 0 | 0 | 112.4 | K446 Q447 N452 K453 L454 | K446-E450 PolarHBondContact O-N 2.76Å; Q447-E450 PolarHBondContact O-N 2.84Å; E450-N452 VanDerWaalsContact C-N 3.35Å; E450-N452 PolarHBondContact O-N 2.89Å; E450-K453 WeakPolarHBondContact O-CB 3.19Å; E450-K453 PolarHBondContact O-N 3.12Å; E450-L454 WeakPolarHBondContact O-CB 3.31Å; E450-L454 PolarHBondContact O-N 3.4Å |
| 451 | L | 92.3 | Very high | 91.8 | Very high | 89 Ų | 89 | 92.4 Ų | 92.4 | 47% | 0.466 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 176.7 | -162.2 | 164.4 | 0 | 0 | 0 | 110.8 | Q447 L454 R455 | Q447-L451 VanDerWaalsContact O-CB 3.27Å; Q447-L451 WeakPolarHBondContact O-CB 3.09Å; Q447-L451 PolarHBondContact O-N 3.46Å; L451-L454 PolarHBondContact O-N 2.97Å; L451-R455 HydrophobicContact CD2-CG 4.17Å; L451-R455 VanDerWaalsContact CD2-CZ 3.42Å; L451-R455 WeakPolarHBondContact O-CG 3.42Å; L451-R455 PolarHBondContact O-N 2.87Å |
| 452 | N | 91.5 | Very high | 91.9 | Very high | 94 Ų | 94 | 92.3 Ų | 92.3 | 50% | 0.503 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66 | -38.6 | 173.2 | -74.5 | -27.5 | 0 | 0 | 0 | 112.6 | S448 A449 E450 R455 Q456 | S448-N452 WeakPolarHBondContact O-CB 3.35Å; S448-N452 VanDerWaalsContact O-CG 3.27Å; S448-N452 PolarHBondContact O-N 2.87Å; S448-N452 PolarHBondContact O-ND2 3.47Å; A449-N452 PolarHBondContact O-N 2.77Å; E450-N452 VanDerWaalsContact C-N 3.35Å; E450-N452 PolarHBondContact O-N 2.89Å; N452-R455 PolarHBondContact O-N 3.3Å; N452-Q456 PolarHBondContact O-N 2.92Å |
| 453 | K | 94.5 | Very high | 91.9 | Very high | 130 Ų | 130 | 90.9 Ų | 90.9 | 57% | 0.565 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.5 | -45.9 | 172.8 | -175.2 | -176.9 | 174.8 | -173.5 | 0 | 111.3 | A449 E450 R455 Q456 D457 | A449-K453 WeakPolarHBondContact O-CB 3.25Å; A449-K453 PolarHBondContact O-N 2.66Å; E450-K453 WeakPolarHBondContact O-CB 3.19Å; E450-K453 PolarHBondContact O-N 3.12Å; K453-R455 VanDerWaalsContact C-N 3.33Å; K453-R455 PolarHBondContact O-N 2.96Å; K453-Q456 CarbonylContact O-C 3.56Å; K453-Q456 WeakPolarHBondContact O-CA 3.28Å; K453-Q456 VanDerWaalsContact O-CB 3.3Å; K453-Q456 WeakPolarHBondContact O-CB 3.37Å; K453-Q456 PolarHBondContact O-N 3.37Å; K453-D457 PolarHBondContact O-N 3.01Å |
| 454 | L | 92.9 | Very high | 92 | Very high | 114 Ų | 114 | 91 Ų | 91 | 60% | 0.597 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.3 | -38.5 | 177.7 | -168.6 | 68.5 | 0 | 0 | 0 | 111.8 | E450 L451 Q456 D457 C458 | E450-L454 WeakPolarHBondContact O-CB 3.31Å; E450-L454 PolarHBondContact O-N 3.4Å; L451-L454 PolarHBondContact O-N 2.97Å; L454-Q456 VanDerWaalsContact C-N 3.33Å; L454-Q456 PolarHBondContact O-N 3.16Å; L454-D457 PolarHBondContact O-N 2.88Å; L454-C458 PolarHBondContact O-N 3.47Å; L454-C458 PolarHBondContact O-SG 2.96Å |
| 455 | R | 92.8 | Very high | 92.1 | Very high | 169 Ų | 169 | 92.3 Ų | 92.3 | 64% | 0.638 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.9 | -40.3 | 170.2 | -75.7 | 173.7 | 174.5 | 174.4 | 1.4 | 112.1 | L451 N452 K453 G459 | L451-R455 HydrophobicContact CD2-CG 4.17Å; L451-R455 VanDerWaalsContact CD2-CZ 3.42Å; L451-R455 WeakPolarHBondContact O-CG 3.42Å; L451-R455 PolarHBondContact O-N 2.87Å; N452-R455 PolarHBondContact O-N 3.3Å; K453-R455 VanDerWaalsContact C-N 3.33Å; K453-R455 PolarHBondContact O-N 2.96Å; R455-G459 PolarHBondContact O-N 2.91Å |
| 456 | Q | 93.3 | Very high | 92.1 | Very high | 112 Ų | 112 | 93.7 Ų | 93.7 | 52% | 0.523 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.1 | -40.6 | 175.2 | -165.5 | -169.9 | 38.6 | 0 | 0 | 111.8 | N452 K453 L454 G459 R460 | N452-Q456 PolarHBondContact O-N 2.92Å; K453-Q456 CarbonylContact O-C 3.56Å; K453-Q456 WeakPolarHBondContact O-CA 3.28Å; K453-Q456 VanDerWaalsContact O-CB 3.3Å; K453-Q456 WeakPolarHBondContact O-CB 3.37Å; K453-Q456 PolarHBondContact O-N 3.37Å; L454-Q456 VanDerWaalsContact C-N 3.33Å; L454-Q456 PolarHBondContact O-N 3.16Å; Q456-G459 WeakPolarHBondContact O-CA 3.46Å; Q456-G459 PolarHBondContact O-N 3.34Å; Q456-R460 PolarHBondContact O-N 3.39Å; Q456-R460 VanDerWaalsContact OE1-NH1 3.15Å; Q456-R460 VanDerWaalsContact OE1-NH2 3.1Å |
| 457 | D | 91.6 | Very high | 92.1 | Very high | 51 Ų | 51 | 93.3 Ų | 93.3 | 27% | 0.273 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 175.8 | -75.3 | -41.7 | 0 | 0 | 0 | 112.1 | K453 L454 G459 R460 L461 | K453-D457 PolarHBondContact O-N 3.01Å; L454-D457 PolarHBondContact O-N 2.88Å; D457-G459 VanDerWaalsContact C-N 3.29Å; D457-G459 PolarHBondContact O-N 3.39Å; D457-R460 PolarHBondContact O-N 3.08Å; D457-R460 IonicContact OD1-CZ 3.25Å; D457-R460 IonicContact OD1-NE 2.8Å; D457-R460 PolarHBondContact OD1-NE 3.45Å; D457-R460 IonicContact OD1-NH2 3.91Å; D457-R460 PolarHBondContact OD1-NH2 3.01Å; D457-R460 IonicContact OD2-NH2 3.49Å; D457-L461 WeakPolarHBondContact O-CB 3.5Å; D457-L461 WeakPolarHBondContact O-CG 3.37Å; D457-L461 PolarHBondContact O-N 3.27Å |
| 458 | C | 90.3 | Very high | 92.2 | Very high | 70 Ų | 70 | 96.5 Ų | 96.5 | 47% | 0.473 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.3 | -41.2 | 169.5 | -68.8 | 0 | 0 | 0 | 0 | 111.7 | L454 L461 V462 | L454-C458 PolarHBondContact O-N 3.47Å; L454-C458 PolarHBondContact O-SG 2.96Å; C458-L461 PolarHBondContact O-N 3.36Å; C458-V462 WeakPolarHBondContact O-CB 3.47Å; C458-V462 VanDerWaalsContact O-CG2 3.27Å; C458-V462 WeakPolarHBondContact O-CG2 3.33Å; C458-V462 PolarHBondContact O-N 2.98Å |
| 459 | G | 93 | Very high | 92.2 | Very high | 36 Ų | 36 | 97.2 Ų | 97.2 | 37% | 0.371 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.1 | -47.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R455 Q456 D457 V462 S463 | R455-G459 PolarHBondContact O-N 2.91Å; Q456-G459 WeakPolarHBondContact O-CA 3.46Å; Q456-G459 PolarHBondContact O-N 3.34Å; D457-G459 VanDerWaalsContact C-N 3.29Å; D457-G459 PolarHBondContact O-N 3.39Å; G459-V462 PolarHBondContact O-N 3.3Å; G459-S463 PolarHBondContact O-N 2.87Å; G459-S463 PolarHBondContact O-OG 2.92Å |
| 460 | R | 93.8 | Very high | 92.1 | Very high | 101 Ų | 101 | 96.2 Ų | 96.2 | 38% | 0.381 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.2 | -52.6 | 174.2 | -78.9 | -171.1 | -88.5 | -95.4 | -0.2 | 111.7 | Q456 D457 V462 S463 E464 | Q456-R460 PolarHBondContact O-N 3.39Å; Q456-R460 VanDerWaalsContact OE1-NH1 3.15Å; Q456-R460 VanDerWaalsContact OE1-NH2 3.1Å; D457-R460 PolarHBondContact O-N 3.08Å; D457-R460 IonicContact OD1-CZ 3.25Å; D457-R460 IonicContact OD1-NE 2.8Å; D457-R460 PolarHBondContact OD1-NE 3.45Å; D457-R460 IonicContact OD1-NH2 3.91Å; D457-R460 PolarHBondContact OD1-NH2 3.01Å; D457-R460 IonicContact OD2-NH2 3.49Å; R460-V462 VanDerWaalsContact C-N 3.32Å; R460-V462 PolarHBondContact O-N 3.38Å; R460-S463 WeakPolarHBondContact O-CA 3.5Å; R460-S463 WeakPolarHBondContact O-CB 3.45Å; R460-S463 PolarHBondContact O-N 2.84Å; R460-S463 VanDerWaalsContact O-N 3.07Å; R460-E464 PolarHBondContact O-N 2.66Å |
| 461 | L | 92.4 | Very high | 92 | Very high | 98 Ų | 98 | 94.6 Ų | 94.6 | 51% | 0.513 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.8 | -36.5 | -178.4 | -71.1 | 170.9 | 0 | 0 | 0 | 112.5 | D457 C458 E464 L465 | D457-L461 WeakPolarHBondContact O-CB 3.5Å; D457-L461 WeakPolarHBondContact O-CG 3.37Å; D457-L461 PolarHBondContact O-N 3.27Å; C458-L461 PolarHBondContact O-N 3.36Å; L461-E464 PolarHBondContact O-N 2.93Å; L461-L465 VanDerWaalsContact O-CB 3.32Å; L461-L465 WeakPolarHBondContact O-CB 3.29Å; L461-L465 VanDerWaalsContact O-CG 3.26Å; L461-L465 WeakPolarHBondContact O-CG 3.39Å; L461-L465 PolarHBondContact O-N 3.2Å |
| 462 | V | 92.3 | Very high | 91.8 | Very high | 80 Ų | 80 | 96.1 Ų | 96.1 | 49% | 0.485 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.4 | -41.3 | 172.6 | 168 | 0 | 0 | 0 | 0 | 111.2 | C458 G459 R460 L465 N466 | C458-V462 WeakPolarHBondContact O-CB 3.47Å; C458-V462 VanDerWaalsContact O-CG2 3.27Å; C458-V462 WeakPolarHBondContact O-CG2 3.33Å; C458-V462 PolarHBondContact O-N 2.98Å; G459-V462 PolarHBondContact O-N 3.3Å; R460-V462 VanDerWaalsContact C-N 3.32Å; R460-V462 PolarHBondContact O-N 3.38Å; V462-L465 PolarHBondContact O-N 3.46Å; V462-N466 WeakPolarHBondContact O-CB 3.32Å; V462-N466 VanDerWaalsContact O-CG 3.28Å; V462-N466 PolarHBondContact O-N 3.29Å; V462-N466 PolarHBondContact O-ND2 2.95Å |
| 463 | S | 91.8 | Very high | 91.4 | Very high | 78 Ų | 78 | 98.4 Ų | 98.4 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63 | -45.7 | 174 | -64.1 | 0 | 0 | 0 | 0 | 112.3 | G459 R460 L465 N466 E467 | G459-S463 PolarHBondContact O-N 2.87Å; G459-S463 PolarHBondContact O-OG 2.92Å; R460-S463 WeakPolarHBondContact O-CA 3.5Å; R460-S463 WeakPolarHBondContact O-CB 3.45Å; R460-S463 PolarHBondContact O-N 2.84Å; R460-S463 VanDerWaalsContact O-N 3.07Å; S463-L465 PolarHBondContact O-N 3.21Å; S463-N466 PolarHBondContact O-N 2.81Å; S463-E467 WeakPolarHBondContact O-CB 3.4Å; S463-E467 PolarHBondContact O-N 2.87Å |
| 464 | E | 93 | Very high | 91.1 | Very high | 86 Ų | 86 | 97.9 Ų | 97.9 | 40% | 0.402 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.6 | -38.8 | 176.2 | -72.9 | 178.6 | -145.8 | 0 | 0 | 112.8 | R460 L461 E467 K468 | R460-E464 PolarHBondContact O-N 2.66Å; L461-E464 PolarHBondContact O-N 2.93Å; E464-E467 PolarHBondContact O-N 3.28Å; E464-K468 WeakPolarHBondContact O-CB 3.37Å; E464-K468 WeakPolarHBondContact O-CG 3.15Å; E464-K468 PolarHBondContact O-N 2.99Å |
| 465 | L | 90.6 | Very high | 90.7 | Very high | 108 Ų | 108 | 98.3 Ų | 98.3 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.2 | -40.9 | 174.8 | -78.4 | 171 | 0 | 0 | 0 | 111.5 | L461 V462 S463 K468 T469 | L461-L465 VanDerWaalsContact O-CB 3.32Å; L461-L465 WeakPolarHBondContact O-CB 3.29Å; L461-L465 VanDerWaalsContact O-CG 3.26Å; L461-L465 WeakPolarHBondContact O-CG 3.39Å; L461-L465 PolarHBondContact O-N 3.2Å; V462-L465 PolarHBondContact O-N 3.46Å; S463-L465 PolarHBondContact O-N 3.21Å; L465-K468 PolarHBondContact O-N 3.26Å; L465-T469 VanDerWaalsContact O-CB 3.29Å; L465-T469 WeakPolarHBondContact O-CB 3.44Å; L465-T469 PolarHBondContact O-N 3.1Å; L465-T469 PolarHBondContact O-OG1 3.31Å |
| 466 | N | 89.8 | Confident | 90.3 | Very high | 108 Ų | 108 | 91.9 Ų | 91.9 | 58% | 0.578 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.4 | -42.2 | 174.1 | -74.9 | -22.2 | 0 | 0 | 0 | 111.4 | V462 S463 T469 G470 | V462-N466 WeakPolarHBondContact O-CB 3.32Å; V462-N466 VanDerWaalsContact O-CG 3.28Å; V462-N466 PolarHBondContact O-N 3.29Å; V462-N466 PolarHBondContact O-ND2 2.95Å; S463-N466 PolarHBondContact O-N 2.81Å; N466-T469 PolarHBondContact O-N 3.49Å; N466-G470 PolarHBondContact O-N 2.76Å |
| 467 | E | 93.3 | Very high | 90.1 | Very high | 108 Ų | 108 | 90.2 Ų | 90.2 | 51% | 0.505 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.7 | -45.5 | 176.2 | -166.1 | -167.6 | 157.1 | 0 | 0 | 111.7 | S463 E464 T469 G470 K471 | S463-E467 WeakPolarHBondContact O-CB 3.4Å; S463-E467 PolarHBondContact O-N 2.87Å; E464-E467 PolarHBondContact O-N 3.28Å; E467-T469 VanDerWaalsContact C-N 3.33Å; E467-T469 PolarHBondContact O-N 2.92Å; E467-G470 PolarHBondContact O-N 3.4Å; E467-K471 WeakPolarHBondContact O-CG 3.46Å; E467-K471 PolarHBondContact O-N 2.79Å; E467-K471 WeakPolarHBondContact OE1-CE 3.39Å; E467-K471 IonicContact OE1-NZ 2.63Å; E467-K471 PolarHBondContact OE1-NZ 3.44Å |
| 468 | K | 91.3 | Very high | 89.7 | Confident | 132 Ų | 132 | 93.5 Ų | 93.5 | 57% | 0.574 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.7 | -38.6 | 174.4 | -77.7 | 173.9 | 178.1 | 164.9 | 0 | 112.2 | E464 L465 K471 L472 | E464-K468 WeakPolarHBondContact O-CB 3.37Å; E464-K468 WeakPolarHBondContact O-CG 3.15Å; E464-K468 PolarHBondContact O-N 2.99Å; L465-K468 PolarHBondContact O-N 3.26Å; K468-K471 PolarHBondContact O-N 2.66Å; K468-L472 WeakPolarHBondContact O-CB 3.32Å; K468-L472 PolarHBondContact O-N 2.98Å |
| 469 | T | 90.7 | Very high | 89.6 | Confident | 80 Ų | 80 | 96.2 Ų | 96.2 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.1 | -43 | 175.2 | -58.2 | 0 | 0 | 0 | 0 | 110.9 | L465 N466 E467 L472 Q473 | L465-T469 VanDerWaalsContact O-CB 3.29Å; L465-T469 WeakPolarHBondContact O-CB 3.44Å; L465-T469 PolarHBondContact O-N 3.1Å; L465-T469 PolarHBondContact O-OG1 3.31Å; N466-T469 PolarHBondContact O-N 3.49Å; E467-T469 VanDerWaalsContact C-N 3.33Å; E467-T469 PolarHBondContact O-N 2.92Å; T469-L472 PolarHBondContact O-N 3.1Å; T469-Q473 WeakPolarHBondContact O-CB 3.44Å; T469-Q473 PolarHBondContact O-N 2.97Å |
| 470 | G | 91 | Very high | 89.4 | Confident | 38 Ų | 38 | 101 Ų | 101 | 39% | 0.392 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | N466 E467 Q473 Q474 | N466-G470 PolarHBondContact O-N 2.76Å; E467-G470 PolarHBondContact O-N 3.4Å; G470-Q473 PolarHBondContact O-N 2.79Å; G470-Q474 PolarHBondContact O-N 2.91Å |
| 471 | K | 90.8 | Very high | 89 | Confident | 104 Ų | 104 | 100.5 Ų | 100.5 | 45% | 0.452 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 175.5 | -72.8 | 176.2 | -175.4 | 171.7 | 0 | 112.2 | E467 K468 Q473 Q474 E475 | E467-K471 WeakPolarHBondContact O-CG 3.46Å; E467-K471 PolarHBondContact O-N 2.79Å; E467-K471 WeakPolarHBondContact OE1-CE 3.39Å; E467-K471 IonicContact OE1-NZ 2.63Å; E467-K471 PolarHBondContact OE1-NZ 3.44Å; K468-K471 PolarHBondContact O-N 2.66Å; K471-Q473 VanDerWaalsContact C-N 3.3Å; K471-Q473 PolarHBondContact O-N 3.12Å; K471-Q474 CarbonylContact O-C 3.53Å; K471-Q474 WeakPolarHBondContact O-CA 3.44Å; K471-Q474 WeakPolarHBondContact O-CB 3.37Å; K471-Q474 PolarHBondContact O-N 2.79Å; K471-Q474 VanDerWaalsContact O-N 3.11Å; K471-E475 WeakPolarHBondContact O-CG 3.39Å; K471-E475 PolarHBondContact O-N 3.25Å |
| 472 | L | 86.2 | Confident | 88.6 | Confident | 122 Ų | 122 | 98.7 Ų | 98.7 | 64% | 0.639 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.1 | -35.2 | 176.7 | -171.9 | 123.2 | 0 | 0 | 0 | 112 | K468 T469 G476 | K468-L472 WeakPolarHBondContact O-CB 3.32Å; K468-L472 PolarHBondContact O-N 2.98Å; T469-L472 PolarHBondContact O-N 3.1Å; L472-G476 PolarHBondContact O-N 3.21Å |
| 473 | Q | 84.5 | Confident | 88.4 | Confident | 141 Ų | 141 | 99.3 Ų | 99.3 | 66% | 0.659 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.7 | -37.6 | 172.5 | -170.4 | 170.6 | -4.4 | 0 | 0 | 111.8 | T469 G470 K471 G476 V477 | T469-Q473 WeakPolarHBondContact O-CB 3.44Å; T469-Q473 PolarHBondContact O-N 2.97Å; G470-Q473 PolarHBondContact O-N 2.79Å; K471-Q473 VanDerWaalsContact C-N 3.3Å; K471-Q473 PolarHBondContact O-N 3.12Å; Q473-G476 PolarHBondContact O-N 3.48Å; Q473-V477 WeakPolarHBondContact O-CG2 3.29Å; Q473-V477 PolarHBondContact O-N 2.76Å; Q473-V477 VanDerWaalsContact O-N 3.1Å |
| 474 | Q | 87.2 | Confident | 88.1 | Confident | 120 Ų | 120 | 101.6 Ų | 101.6 | 56% | 0.561 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66 | -44.7 | 173.8 | -171.2 | 179.9 | 17.8 | 0 | 0 | 112.1 | G470 K471 G476 V477 Q478 | G470-Q474 PolarHBondContact O-N 2.91Å; K471-Q474 CarbonylContact O-C 3.53Å; K471-Q474 WeakPolarHBondContact O-CA 3.44Å; K471-Q474 WeakPolarHBondContact O-CB 3.37Å; K471-Q474 PolarHBondContact O-N 2.79Å; K471-Q474 VanDerWaalsContact O-N 3.11Å; Q474-G476 VanDerWaalsContact C-N 3.3Å; Q474-G476 PolarHBondContact O-N 3.26Å; Q474-V477 PolarHBondContact O-N 3.22Å; Q474-V477 VanDerWaalsContact O-N 3.13Å; Q474-Q478 PolarHBondContact O-N 2.85Å |
| 475 | E | 84.7 | Confident | 87.8 | Confident | 122 Ų | 122 | 99.8 Ų | 99.8 | 57% | 0.57 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.9 | -39.6 | 171.8 | -73.3 | 177.6 | 179.3 | 0 | 0 | 111.5 | K471 V477 Q478 K479 | K471-E475 WeakPolarHBondContact O-CG 3.39Å; K471-E475 PolarHBondContact O-N 3.25Å; E475-V477 VanDerWaalsContact C-N 3.29Å; E475-V477 PolarHBondContact O-N 2.85Å; E475-Q478 PolarHBondContact O-N 3.3Å; E475-K479 WeakPolarHBondContact O-CB 3.5Å; E475-K479 PolarHBondContact O-N 3.37Å |
| 476 | G | 84.3 | Confident | 87.5 | Confident | 34 Ų | 34 | 97.4 Ų | 97.4 | 35% | 0.351 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.9 | -34.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L472 Q473 Q474 K480 | L472-G476 PolarHBondContact O-N 3.21Å; Q473-G476 PolarHBondContact O-N 3.48Å; Q474-G476 VanDerWaalsContact C-N 3.3Å; Q474-G476 PolarHBondContact O-N 3.26Å; G476-K480 WeakPolarHBondContact O-CG 3.27Å; G476-K480 PolarHBondContact O-N 3.42Å |
| 477 | V | 89.1 | Confident | 87.4 | Confident | 78 Ų | 78 | 96.5 Ų | 96.5 | 47% | 0.473 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -73 | -44.5 | 172.1 | 173.3 | 0 | 0 | 0 | 0 | 111 | Q473 Q474 E475 K479 K480 N481 | Q473-V477 WeakPolarHBondContact O-CG2 3.29Å; Q473-V477 PolarHBondContact O-N 2.76Å; Q473-V477 VanDerWaalsContact O-N 3.1Å; Q474-V477 PolarHBondContact O-N 3.22Å; Q474-V477 VanDerWaalsContact O-N 3.13Å; E475-V477 VanDerWaalsContact C-N 3.29Å; E475-V477 PolarHBondContact O-N 2.85Å; V477-K479 VanDerWaalsContact C-N 3.33Å; V477-K479 PolarHBondContact O-N 2.87Å; V477-K480 PolarHBondContact O-N 3.43Å; V477-N481 PolarHBondContact O-N 2.85Å; V477-N481 PolarHBondContact O-OD1 2.95Å |
| 478 | Q | 84.4 | Confident | 87.1 | Confident | 120 Ų | 120 | 97.7 Ų | 97.7 | 56% | 0.561 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.2 | -40.3 | 176.7 | -71.1 | -175.6 | -0.7 | 0 | 0 | 112.3 | Q474 E475 K480 N481 A482 | Q474-Q478 PolarHBondContact O-N 2.85Å; E475-Q478 PolarHBondContact O-N 3.3Å; Q478-K480 PolarHBondContact O-N 2.84Å; Q478-N481 PolarHBondContact O-N 2.82Å; Q478-A482 WeakPolarHBondContact O-CB 3.5Å; Q478-A482 PolarHBondContact O-N 2.76Å |
| 479 | K | 87.4 | Confident | 87 | Confident | 127 Ų | 127 | 96.7 Ų | 96.7 | 55% | 0.552 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60 | -44.7 | 174.7 | -175.4 | 171.1 | -170.7 | -73.5 | 0 | 111.7 | E475 V477 N481 A482 E483 | E475-K479 WeakPolarHBondContact O-CB 3.5Å; E475-K479 PolarHBondContact O-N 3.37Å; V477-K479 VanDerWaalsContact C-N 3.33Å; V477-K479 PolarHBondContact O-N 2.87Å; K479-N481 PolarHBondContact O-N 3.34Å; K479-A482 PolarHBondContact O-N 3.47Å; K479-E483 IonicContact NZ-OE1 3.47Å; K479-E483 PolarHBondContact NZ-OE1 3.39Å; K479-E483 WeakPolarHBondContact O-CB 3.27Å; K479-E483 WeakPolarHBondContact O-CG 3.43Å; K479-E483 PolarHBondContact O-N 2.89Å |
| 480 | K | 88.3 | Confident | 86.8 | Confident | 135 Ų | 135 | 99.8 Ų | 99.8 | 59% | 0.587 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.7 | -41.4 | 174.4 | -75.4 | 177.1 | 178.4 | -178.5 | 0 | 112.4 | G476 V477 Q478 E483 Q484 | G476-K480 WeakPolarHBondContact O-CG 3.27Å; G476-K480 PolarHBondContact O-N 3.42Å; V477-K480 PolarHBondContact O-N 3.43Å; Q478-K480 PolarHBondContact O-N 2.84Å; K480-E483 PolarHBondContact O-N 3.36Å; K480-Q484 WeakPolarHBondContact O-CG 3.46Å; K480-Q484 PolarHBondContact O-N 3.19Å |
| 481 | N | 86.8 | Confident | 86.8 | Confident | 91 Ų | 91 | 102 Ų | 102 | 49% | 0.487 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.6 | -39.6 | 177 | -65.7 | -4.7 | 0 | 0 | 0 | 111.5 | V477 Q478 K479 Q484 A485 | V477-N481 PolarHBondContact O-N 2.85Å; V477-N481 PolarHBondContact O-OD1 2.95Å; Q478-N481 PolarHBondContact O-N 2.82Å; K479-N481 PolarHBondContact O-N 3.34Å; N481-Q484 PolarHBondContact O-N 2.98Å; N481-A485 PolarHBondContact O-N 3.48Å |
| 482 | A | 84 | Confident | 86.6 | Confident | 61 Ų | 61 | 102.9 Ų | 102.9 | 50% | 0.504 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.6 | -38.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q478 K479 A485 A486 | Q478-A482 WeakPolarHBondContact O-CB 3.5Å; Q478-A482 PolarHBondContact O-N 2.76Å; K479-A482 PolarHBondContact O-N 3.47Å; A482-A485 PolarHBondContact O-N 3.39Å; A482-A486 WeakPolarHBondContact O-CB 3.4Å; A482-A486 PolarHBondContact O-N 3.42Å |
| 483 | E | 86.6 | Confident | 86.6 | Confident | 92 Ų | 92 | 102 Ų | 102 | 43% | 0.43 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 172.5 | -75.5 | 169.2 | 179.7 | 0 | 0 | 111.4 | K479 K480 A486 T487 | K479-E483 IonicContact NZ-OE1 3.47Å; K479-E483 PolarHBondContact NZ-OE1 3.39Å; K479-E483 WeakPolarHBondContact O-CB 3.27Å; K479-E483 WeakPolarHBondContact O-CG 3.43Å; K479-E483 PolarHBondContact O-N 2.89Å; K480-E483 PolarHBondContact O-N 3.36Å; E483-A486 PolarHBondContact O-N 3.39Å; E483-T487 PolarHBondContact O-N 2.75Å; E483-T487 PolarHBondContact O-OG1 3.4Å; E483-T487 VanDerWaalsContact O-OG1 3.14Å |
| 484 | Q | 85.4 | Confident | 86.6 | Confident | 127 Ų | 127 | 101.1 Ų | 101.1 | 59% | 0.593 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.4 | -44.3 | 173.2 | -74.2 | 177.3 | -5.2 | 0 | 0 | 112.3 | K480 N481 A486 T487 Q488 | K480-Q484 WeakPolarHBondContact O-CG 3.46Å; K480-Q484 PolarHBondContact O-N 3.19Å; N481-Q484 PolarHBondContact O-N 2.98Å; Q484-A486 PolarHBondContact O-N 3.27Å; Q484-T487 WeakPolarHBondContact CA-OG1 3.43Å; Q484-T487 PolarHBondContact O-N 3.38Å; Q484-T487 PolarHBondContact O-OG1 2.93Å; Q484-Q488 PolarHBondContact O-N 3.24Å |
| 485 | A | 88.4 | Confident | 86.5 | Confident | 48 Ų | 48 | 99.2 Ų | 99.2 | 40% | 0.397 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | N481 A482 Q488 L489 | N481-A485 PolarHBondContact O-N 3.48Å; A482-A485 PolarHBondContact O-N 3.39Å; A485-Q488 PolarHBondContact O-N 2.92Å; A485-L489 WeakPolarHBondContact O-CG 3.45Å; A485-L489 PolarHBondContact O-N 3.23Å |
| 486 | A | 83.9 | Confident | 86.4 | Confident | 58 Ų | 58 | 96 Ų | 96 | 48% | 0.479 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.2 | -40.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A482 E483 Q484 L489 K490 | A482-A486 WeakPolarHBondContact O-CB 3.4Å; A482-A486 PolarHBondContact O-N 3.42Å; E483-A486 PolarHBondContact O-N 3.39Å; Q484-A486 PolarHBondContact O-N 3.27Å; A486-L489 PolarHBondContact O-N 3.41Å; A486-K490 WeakPolarHBondContact O-CB 3.4Å; A486-K490 PolarHBondContact O-N 3.19Å |
| 487 | T | 87.7 | Confident | 86.3 | Confident | 88 Ų | 88 | 99.2 Ų | 99.2 | 54% | 0.54 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.6 | -38.6 | 172.9 | 50.8 | 0 | 0 | 0 | 0 | 112.4 | E483 Q484 K490 V491 | E483-T487 PolarHBondContact O-N 2.75Å; E483-T487 PolarHBondContact O-OG1 3.4Å; E483-T487 VanDerWaalsContact O-OG1 3.14Å; Q484-T487 WeakPolarHBondContact CA-OG1 3.43Å; Q484-T487 PolarHBondContact O-N 3.38Å; Q484-T487 PolarHBondContact O-OG1 2.93Å; T487-K490 WeakPolarHBondContact O-CB 3.07Å; T487-K490 PolarHBondContact O-N 2.99Å; T487-V491 PolarHBondContact O-N 3.06Å; T487-V491 VanDerWaalsContact O-N 3.11Å |
| 488 | Q | 86.8 | Confident | 86.3 | Confident | 134 Ų | 134 | 100.6 Ų | 100.6 | 63% | 0.626 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.2 | -41.1 | 175.3 | -167.6 | 168.8 | 19.5 | 0 | 0 | 112.5 | Q484 A485 K490 V491 Q492 | Q484-Q488 PolarHBondContact O-N 3.24Å; A485-Q488 PolarHBondContact O-N 2.92Å; Q488-K490 VanDerWaalsContact C-N 3.32Å; Q488-K490 PolarHBondContact O-N 2.98Å; Q488-V491 PolarHBondContact O-N 3.07Å; Q488-Q492 PolarHBondContact O-N 2.96Å; Q488-Q492 VanDerWaalsContact O-N 3.13Å |
| 489 | L | 88.8 | Confident | 86.5 | Confident | 111 Ų | 111 | 102.1 Ų | 102.1 | 58% | 0.581 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.5 | -36.3 | 172.5 | -73.3 | 172.3 | 0 | 0 | 0 | 112.2 | A485 A486 V491 Q492 L493 | A485-L489 WeakPolarHBondContact O-CG 3.45Å; A485-L489 PolarHBondContact O-N 3.23Å; A486-L489 PolarHBondContact O-N 3.41Å; L489-V491 VanDerWaalsContact C-N 3.34Å; L489-V491 PolarHBondContact O-N 2.93Å; L489-Q492 PolarHBondContact O-N 3.48Å; L489-L493 PolarHBondContact O-N 2.93Å |
| 490 | K | 86.8 | Confident | 86.3 | Confident | 144 Ų | 144 | 103.8 Ų | 103.8 | 63% | 0.626 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.3 | -37.3 | 175.7 | -170.5 | 173.4 | -176.9 | 177 | 0 | 112.5 | A486 T487 Q488 L493 Q494 | A486-K490 WeakPolarHBondContact O-CB 3.4Å; A486-K490 PolarHBondContact O-N 3.19Å; T487-K490 WeakPolarHBondContact O-CB 3.07Å; T487-K490 PolarHBondContact O-N 2.99Å; Q488-K490 VanDerWaalsContact C-N 3.32Å; Q488-K490 PolarHBondContact O-N 2.98Å; K490-L493 PolarHBondContact O-N 3.31Å; K490-Q494 PolarHBondContact O-N 2.95Å; K490-Q494 VanDerWaalsContact O-N 3.11Å |
| 491 | V | 91.3 | Very high | 86.2 | Confident | 86 Ų | 86 | 103.8 Ų | 103.8 | 52% | 0.521 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.5 | -43.4 | 172.1 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | T487 Q488 L489 L493 Q494 E495 | T487-V491 PolarHBondContact O-N 3.06Å; T487-V491 VanDerWaalsContact O-N 3.11Å; Q488-V491 PolarHBondContact O-N 3.07Å; L489-V491 VanDerWaalsContact C-N 3.34Å; L489-V491 PolarHBondContact O-N 2.93Å; V491-L493 VanDerWaalsContact C-N 3.3Å; V491-L493 PolarHBondContact O-N 2.97Å; V491-Q494 PolarHBondContact O-N 2.92Å; V491-E495 WeakPolarHBondContact O-CB 3.33Å; V491-E495 PolarHBondContact O-N 3.31Å |
| 492 | Q | 85.3 | Confident | 86.3 | Confident | 122 Ų | 122 | 104.2 Ų | 104.2 | 57% | 0.57 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.5 | -35.2 | 175.2 | -69.5 | -175 | -1.3 | 0 | 0 | 113 | Q488 L489 E495 A496 | Q488-Q492 PolarHBondContact O-N 2.96Å; Q488-Q492 VanDerWaalsContact O-N 3.13Å; L489-Q492 PolarHBondContact O-N 3.48Å; Q492-E495 PolarHBondContact O-N 3.01Å; Q492-A496 WeakPolarHBondContact O-CB 3.23Å; Q492-A496 PolarHBondContact O-N 2.86Å |
| 493 | L | 86.3 | Confident | 86.5 | Confident | 103 Ų | 103 | 104.6 Ų | 104.6 | 54% | 0.539 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.7 | -48.9 | 174.7 | -167.8 | 75.6 | 0 | 0 | 0 | 111.2 | L489 K490 V491 E495 A496 E497 | L489-L493 PolarHBondContact O-N 2.93Å; K490-L493 PolarHBondContact O-N 3.31Å; V491-L493 VanDerWaalsContact C-N 3.3Å; V491-L493 PolarHBondContact O-N 2.97Å; L493-E495 VanDerWaalsContact C-N 3.29Å; L493-E495 PolarHBondContact O-N 3.44Å; L493-A496 WeakPolarHBondContact O-CB 3.4Å; L493-A496 PolarHBondContact O-N 2.65Å; L493-A496 VanDerWaalsContact O-N 3.1Å; L493-E497 WeakPolarHBondContact O-CG 3.28Å; L493-E497 PolarHBondContact O-N 3.34Å |
| 494 | Q | 85.6 | Confident | 86.2 | Confident | 123 Ų | 123 | 103.6 Ų | 103.6 | 58% | 0.575 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.4 | -36.8 | 175.6 | -74.3 | -169.3 | -73.8 | 0 | 0 | 112.7 | K490 V491 A496 E497 R498 | K490-Q494 PolarHBondContact O-N 2.95Å; K490-Q494 VanDerWaalsContact O-N 3.11Å; V491-Q494 PolarHBondContact O-N 2.92Å; Q494-A496 VanDerWaalsContact C-N 3.31Å; Q494-A496 PolarHBondContact O-N 2.93Å; Q494-E497 PolarHBondContact O-N 2.99Å; Q494-R498 WeakPolarHBondContact O-CB 3.33Å; Q494-R498 PolarHBondContact O-N 3.33Å |
| 495 | E | 85.4 | Confident | 86.3 | Confident | 80 Ų | 80 | 101 Ų | 101 | 37% | 0.374 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.6 | -37.8 | 174.8 | -162.8 | 83.4 | -117.5 | 0 | 0 | 111.6 | V491 Q492 L493 R498 R499 | V491-E495 WeakPolarHBondContact O-CB 3.33Å; V491-E495 PolarHBondContact O-N 3.31Å; Q492-E495 PolarHBondContact O-N 3.01Å; L493-E495 VanDerWaalsContact C-N 3.29Å; L493-E495 PolarHBondContact O-N 3.44Å; E495-R498 IonicContact OE1-CZ 3.44Å; E495-R498 IonicContact OE1-NE 3.76Å; E495-R498 PolarHBondContact OE1-NE 2.96Å; E495-R498 IonicContact OE1-NH2 3.35Å; E495-R498 PolarHBondContact OE1-NH2 3.29Å; E495-R499 VanDerWaalsContact O-CG 3.25Å; E495-R499 WeakPolarHBondContact O-CG 3.35Å; E495-R499 PolarHBondContact O-N 3.25Å |
| 496 | A | 83 | Confident | 86.3 | Confident | 55 Ų | 55 | 105.6 Ų | 105.6 | 46% | 0.455 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -73.3 | -40 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q492 L493 Q494 R499 W500 | Q492-A496 WeakPolarHBondContact O-CB 3.23Å; Q492-A496 PolarHBondContact O-N 2.86Å; L493-A496 WeakPolarHBondContact O-CB 3.4Å; L493-A496 PolarHBondContact O-N 2.65Å; L493-A496 VanDerWaalsContact O-N 3.1Å; Q494-A496 VanDerWaalsContact C-N 3.31Å; Q494-A496 PolarHBondContact O-N 2.93Å; A496-R499 PolarHBondContact O-N 2.96Å; A496-W500 PolarHBondContact O-N 3.35Å |
| 497 | E | 82.3 | Confident | 86.4 | Confident | 101 Ų | 101 | 107 Ų | 107 | 47% | 0.472 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.8 | -48.6 | 173.5 | -73 | 171.1 | 160.1 | 0 | 0 | 110.8 | L493 Q494 R499 W500 E501 | L493-E497 WeakPolarHBondContact O-CG 3.28Å; L493-E497 PolarHBondContact O-N 3.34Å; Q494-E497 PolarHBondContact O-N 2.99Å; E497-R499 VanDerWaalsContact C-N 3.34Å; E497-R499 PolarHBondContact O-N 3.28Å; E497-W500 WeakPolarHBondContact O-CA 3.47Å; E497-W500 WeakPolarHBondContact O-CB 3.36Å; E497-W500 PolarHBondContact O-N 2.78Å; E497-E501 PolarHBondContact O-N 2.86Å |
| 498 | R | 87.2 | Confident | 86.4 | Confident | 106 Ų | 106 | 110 Ų | 110 | 40% | 0.4 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -56.5 | -45 | 174.7 | -176.5 | -177.9 | 66.5 | 80.2 | -4.5 | 112.3 | Q494 E495 W500 E501 E502 | Q494-R498 WeakPolarHBondContact O-CB 3.33Å; Q494-R498 PolarHBondContact O-N 3.33Å; E495-R498 IonicContact OE1-CZ 3.44Å; E495-R498 IonicContact OE1-NE 3.76Å; E495-R498 PolarHBondContact OE1-NE 2.96Å; E495-R498 IonicContact OE1-NH2 3.35Å; E495-R498 PolarHBondContact OE1-NH2 3.29Å; R498-W500 VanDerWaalsContact C-N 3.31Å; R498-W500 PolarHBondContact O-N 3.4Å; R498-E501 PolarHBondContact O-N 2.78Å; R498-E502 IonicContact CZ-OE1 2.62Å; R498-E502 VanDerWaalsContact NH1-CD 3.34Å; R498-E502 IonicContact NH1-OE1 3.21Å; R498-E502 PolarHBondContact NH1-OE1 3.3Å; R498-E502 IonicContact NH1-OE2 2.62Å; R498-E502 PolarHBondContact NH1-OE2 3.38Å; R498-E502 WeakPolarHBondContact O-CG 3.31Å; R498-E502 PolarHBondContact O-N 3.47Å |
| 499 | R | 88.6 | Confident | 86.5 | Confident | 153 Ų | 153 | 110.2 Ų | 110.2 | 58% | 0.577 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.7 | -36 | 176.3 | -73 | 171.7 | -173.9 | -156.8 | 2.5 | 112.1 | E495 A496 E497 E502 V503 | E495-R499 VanDerWaalsContact O-CG 3.25Å; E495-R499 WeakPolarHBondContact O-CG 3.35Å; E495-R499 PolarHBondContact O-N 3.25Å; A496-R499 PolarHBondContact O-N 2.96Å; E497-R499 VanDerWaalsContact C-N 3.34Å; E497-R499 PolarHBondContact O-N 3.28Å; R499-E502 PolarHBondContact O-N 2.85Å; R499-V503 WeakPolarHBondContact O-CG2 3.49Å; R499-V503 PolarHBondContact O-N 3.25Å |
| 500 | W | 83.8 | Confident | 86.3 | Confident | 161 Ų | 161 | 111.9 Ų | 111.9 | 61% | 0.61 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68.8 | -39.9 | 175.6 | -178.4 | -111.9 | 0 | 0 | 0 | 112.1 | A496 E497 R498 V503 Q504 | A496-W500 PolarHBondContact O-N 3.35Å; E497-W500 WeakPolarHBondContact O-CA 3.47Å; E497-W500 WeakPolarHBondContact O-CB 3.36Å; E497-W500 PolarHBondContact O-N 2.78Å; R498-W500 VanDerWaalsContact C-N 3.31Å; R498-W500 PolarHBondContact O-N 3.4Å; W500-V503 HydrophobicContact CZ3-CG1 4.47Å; W500-V503 PolarHBondContact O-N 3.15Å; W500-Q504 HydrophobicContact CD2-CG 4.48Å; W500-Q504 HydrophobicContact CZ2-CG 4.38Å; W500-Q504 WeakPolarHBondContact O-CB 3.46Å; W500-Q504 WeakPolarHBondContact O-CG 3.24Å; W500-Q504 PolarHBondContact O-N 2.8Å |
| 501 | E | 86.1 | Confident | 86 | Confident | 135 Ų | 135 | 108.1 Ų | 108.1 | 63% | 0.631 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.5 | -40.6 | 172.9 | -70.5 | -175.7 | 157.5 | 0 | 0 | 112.2 | E497 R498 Q504 S505 | E497-E501 PolarHBondContact O-N 2.86Å; R498-E501 PolarHBondContact O-N 2.78Å; E501-Q504 PolarHBondContact O-N 3.37Å; E501-S505 WeakPolarHBondContact O-CB 3.35Å; E501-S505 PolarHBondContact O-N 3.36Å |
| 502 | E | 89.1 | Confident | 85.5 | Confident | 101 Ų | 101 | 106.6 Ų | 106.6 | 47% | 0.472 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 173.4 | -75.6 | 167.9 | -174.1 | 0 | 0 | 111.9 | R498 R499 S505 Y506 | R498-E502 IonicContact CZ-OE1 2.62Å; R498-E502 VanDerWaalsContact NH1-CD 3.34Å; R498-E502 IonicContact NH1-OE1 3.21Å; R498-E502 PolarHBondContact NH1-OE1 3.3Å; R498-E502 IonicContact NH1-OE2 2.62Å; R498-E502 PolarHBondContact NH1-OE2 3.38Å; R498-E502 WeakPolarHBondContact O-CG 3.31Å; R498-E502 PolarHBondContact O-N 3.47Å; R499-E502 PolarHBondContact O-N 2.85Å; E502-S505 WeakPolarHBondContact O-CB 3.29Å; E502-S505 PolarHBondContact O-N 3.39Å; E502-Y506 PolarHBondContact O-N 2.82Å |
| 503 | V | 87.7 | Confident | 85.4 | Confident | 69 Ų | 69 | 105.2 Ų | 105.2 | 42% | 0.418 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 174.5 | 169.9 | 0 | 0 | 0 | 0 | 111.5 | R499 W500 S505 Y506 I507 | R499-V503 WeakPolarHBondContact O-CG2 3.49Å; R499-V503 PolarHBondContact O-N 3.25Å; W500-V503 HydrophobicContact CZ3-CG1 4.47Å; W500-V503 PolarHBondContact O-N 3.15Å; V503-S505 VanDerWaalsContact C-N 3.33Å; V503-S505 PolarHBondContact O-N 2.85Å; V503-Y506 WeakPolarHBondContact O-CB 3.46Å; V503-Y506 PolarHBondContact O-N 3.24Å; V503-I507 HydrophobicContact CG1-CD1 3.94Å; V503-I507 WeakPolarHBondContact O-CG1 3.4Å; V503-I507 PolarHBondContact O-N 2.87Å |
| 504 | Q | 81.3 | Confident | 84.9 | Confident | 70 Ų | 70 | 106 Ų | 106 | 33% | 0.327 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.9 | -39.3 | 174.9 | -76.1 | -128.8 | -31.4 | 0 | 0 | 112.4 | W500 E501 I507 R508 | W500-Q504 HydrophobicContact CD2-CG 4.48Å; W500-Q504 HydrophobicContact CZ2-CG 4.38Å; W500-Q504 WeakPolarHBondContact O-CB 3.46Å; W500-Q504 WeakPolarHBondContact O-CG 3.24Å; W500-Q504 PolarHBondContact O-N 2.8Å; E501-Q504 PolarHBondContact O-N 3.37Å; Q504-I507 PolarHBondContact O-N 3.23Å; Q504-R508 WeakPolarHBondContact O-CG 3.46Å; Q504-R508 PolarHBondContact O-N 3.42Å |
| 505 | S | 87.6 | Confident | 84.6 | Confident | 73 Ų | 73 | 105.7 Ų | 105.7 | 51% | 0.51 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 174.4 | -172 | 0 | 0 | 0 | 0 | 111.4 | E501 E502 V503 I507 R508 K509 | E501-S505 WeakPolarHBondContact O-CB 3.35Å; E501-S505 PolarHBondContact O-N 3.36Å; E502-S505 WeakPolarHBondContact O-CB 3.29Å; E502-S505 PolarHBondContact O-N 3.39Å; V503-S505 VanDerWaalsContact C-N 3.33Å; V503-S505 PolarHBondContact O-N 2.85Å; S505-I507 PolarHBondContact O-N 2.76Å; S505-R508 PolarHBondContact O-N 3.18Å; S505-K509 PolarHBondContact O-N 2.87Å |
| 506 | Y | 89 | Confident | 84.4 | Confident | 144 Ų | 144 | 104.7 Ų | 104.7 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.2 | -45.4 | 173.9 | -179.7 | -93.5 | 0 | 0 | 0 | 112.4 | E502 V503 K509 R510 | E502-Y506 PolarHBondContact O-N 2.82Å; V503-Y506 WeakPolarHBondContact O-CB 3.46Å; V503-Y506 PolarHBondContact O-N 3.24Å; Y506-K509 PolarHBondContact O-N 3.11Å; Y506-R510 HydrophobicContact CE1-CG 3.92Å; Y506-R510 PolarHBondContact O-N 2.89Å |
| 507 | I | 85.4 | Confident | 84.3 | Confident | 89 Ų | 89 | 104.6 Ų | 104.6 | 46% | 0.456 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.4 | -50.3 | 176.7 | -68.3 | 166.2 | 0 | 0 | 0 | 110.5 | V503 Q504 S505 K509 R510 T511 | V503-I507 HydrophobicContact CG1-CD1 3.94Å; V503-I507 WeakPolarHBondContact O-CG1 3.4Å; V503-I507 PolarHBondContact O-N 2.87Å; Q504-I507 PolarHBondContact O-N 3.23Å; S505-I507 PolarHBondContact O-N 2.76Å; I507-K509 VanDerWaalsContact C-N 3.27Å; I507-K509 PolarHBondContact O-N 3.5Å; I507-R510 PolarHBondContact O-N 3Å; I507-R510 VanDerWaalsContact O-N 3.12Å; I507-T511 PolarHBondContact O-N 3.34Å; I507-T511 PolarHBondContact O-OG1 3.37Å; I507-T511 VanDerWaalsContact O-OG1 3.1Å |
| 508 | R | 86.9 | Confident | 83.8 | Confident | 151 Ų | 151 | 104.6 Ų | 104.6 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -55.4 | -42.6 | 177.4 | -73 | -179.8 | -168.8 | 101.8 | 6.9 | 112 | Q504 S505 T511 A512 | Q504-R508 WeakPolarHBondContact O-CG 3.46Å; Q504-R508 PolarHBondContact O-N 3.42Å; S505-R508 PolarHBondContact O-N 3.18Å; R508-T511 PolarHBondContact O-N 3.01Å; R508-A512 PolarHBondContact O-N 3.48Å |
| 509 | K | 89.3 | Confident | 83.2 | Confident | 137 Ų | 137 | 106.6 Ų | 106.6 | 60% | 0.596 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.9 | -44.9 | 177.6 | -171.3 | 178.4 | 177.9 | -176.8 | 0 | 111.8 | S505 Y506 I507 T511 A512 E513 | S505-K509 PolarHBondContact O-N 2.87Å; Y506-K509 PolarHBondContact O-N 3.11Å; I507-K509 VanDerWaalsContact C-N 3.27Å; I507-K509 PolarHBondContact O-N 3.5Å; K509-T511 VanDerWaalsContact C-N 3.34Å; K509-T511 PolarHBondContact O-N 3.35Å; K509-A512 PolarHBondContact O-N 2.99Å; K509-E513 VanDerWaalsContact CE-OE1 3.28Å; K509-E513 WeakPolarHBondContact CE-OE1 3.39Å; K509-E513 WeakPolarHBondContact O-CG 3.46Å; K509-E513 PolarHBondContact O-N 2.84Å |
| 510 | R | 84.6 | Confident | 82.7 | Confident | 146 Ų | 146 | 103.2 Ų | 103.2 | 55% | 0.551 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.3 | -38 | 174.7 | -88.5 | -60.7 | -146.7 | 158.2 | 4.3 | 113 | Y506 I507 E513 H514 | Y506-R510 HydrophobicContact CE1-CG 3.92Å; Y506-R510 PolarHBondContact O-N 2.89Å; I507-R510 PolarHBondContact O-N 3Å; I507-R510 VanDerWaalsContact O-N 3.12Å; R510-E513 WeakPolarHBondContact CD-OE2 3.5Å; R510-H514 PolarHBondContact O-N 3.38Å |
| 511 | T | 79.6 | Confident | 82.4 | Confident | 66 Ų | 66 | 100.7 Ų | 100.7 | 41% | 0.405 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.4 | -45.2 | 174.5 | -54.4 | 0 | 0 | 0 | 0 | 111.2 | I507 R508 K509 E513 H514 E515 | I507-T511 PolarHBondContact O-N 3.34Å; I507-T511 PolarHBondContact O-OG1 3.37Å; I507-T511 VanDerWaalsContact O-OG1 3.1Å; R508-T511 PolarHBondContact O-N 3.01Å; K509-T511 VanDerWaalsContact C-N 3.34Å; K509-T511 PolarHBondContact O-N 3.35Å; T511-E513 PolarHBondContact O-N 2.91Å; T511-H514 WeakPolarHBondContact O-CB 3.49Å; T511-H514 PolarHBondContact O-N 3.09Å; T511-H514 VanDerWaalsContact O-N 3.11Å; T511-E515 HydrophobicContact CG2-CG 4.45Å; T511-E515 WeakPolarHBondContact O-CG 3.49Å; T511-E515 PolarHBondContact O-N 2.89Å |
| 512 | A | 82.8 | Confident | 81.9 | Confident | 53 Ų | 53 | 100 Ų | 100 | 44% | 0.438 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.5 | -38.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R508 K509 H514 E515 A516 | R508-A512 PolarHBondContact O-N 3.48Å; K509-A512 PolarHBondContact O-N 2.99Å; A512-H514 VanDerWaalsContact C-N 3.33Å; A512-E515 PolarHBondContact O-N 2.9Å; A512-A516 WeakPolarHBondContact O-CB 3.3Å; A512-A516 PolarHBondContact O-N 3.35Å |
| 513 | E | 82.1 | Confident | 81.2 | Confident | 93 Ų | 93 | 99 Ų | 99 | 44% | 0.435 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.5 | -38.4 | 172.1 | -73.7 | 168.8 | -170.6 | 0 | 0 | 111.8 | K509 R510 T511 A517 | K509-E513 VanDerWaalsContact CE-OE1 3.28Å; K509-E513 WeakPolarHBondContact CE-OE1 3.39Å; K509-E513 WeakPolarHBondContact O-CG 3.46Å; K509-E513 PolarHBondContact O-N 2.84Å; R510-E513 WeakPolarHBondContact CD-OE2 3.5Å; T511-E513 PolarHBondContact O-N 2.91Å; E513-A517 PolarHBondContact O-N 3.48Å |
| 514 | H | 76.7 | Confident | 80.8 | Confident | 121 Ų | 121 | 101.2 Ų | 101.2 | 56% | 0.56 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69.1 | -45.1 | 174.6 | -178.3 | -77.6 | 0 | 0 | 0 | 112.3 | R510 T511 A512 A516 A517 Q518 | R510-H514 PolarHBondContact O-N 3.38Å; T511-H514 WeakPolarHBondContact O-CB 3.49Å; T511-H514 PolarHBondContact O-N 3.09Å; T511-H514 VanDerWaalsContact O-N 3.11Å; A512-H514 VanDerWaalsContact C-N 3.33Å; H514-A516 VanDerWaalsContact C-N 3.33Å; H514-A516 PolarHBondContact O-N 2.95Å; H514-A517 PolarHBondContact O-N 3.35Å; H514-Q518 WeakPolarHBondContact O-CB 3.32Å; H514-Q518 PolarHBondContact O-N 3.42Å |
| 515 | E | 77.9 | Confident | 80.4 | Confident | 115 Ų | 115 | 105.1 Ų | 105.1 | 54% | 0.537 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.2 | -39.8 | 176.8 | -74.2 | 174.9 | 174 | 0 | 0 | 112 | T511 A512 Q518 Q519 | T511-E515 HydrophobicContact CG2-CG 4.45Å; T511-E515 WeakPolarHBondContact O-CG 3.49Å; T511-E515 PolarHBondContact O-N 2.89Å; A512-E515 PolarHBondContact O-N 2.9Å; E515-Q518 PolarHBondContact O-N 2.83Å; E515-Q519 PolarHBondContact O-N 3.31Å |
| 516 | A | 81.9 | Confident | 80 | Confident | 59 Ų | 59 | 104.8 Ų | 104.8 | 49% | 0.488 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A512 H514 Q518 Q519 D520 | A512-A516 WeakPolarHBondContact O-CB 3.3Å; A512-A516 PolarHBondContact O-N 3.35Å; H514-A516 VanDerWaalsContact C-N 3.33Å; H514-A516 PolarHBondContact O-N 2.95Å; A516-Q518 VanDerWaalsContact C-N 3.3Å; A516-Q518 PolarHBondContact O-N 2.94Å; A516-Q519 PolarHBondContact O-N 2.99Å; A516-D520 PolarHBondContact O-N 3.31Å; A516-D520 VanDerWaalsContact O-N 3.12Å |
| 517 | A | 79.9 | Confident | 79.2 | Confident | 54 Ų | 54 | 100.9 Ų | 100.9 | 45% | 0.446 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.6 | -35.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | E513 H514 L521 | E513-A517 PolarHBondContact O-N 3.48Å; H514-A517 PolarHBondContact O-N 3.35Å; A517-L521 PolarHBondContact O-N 3.12Å; A517-L521 VanDerWaalsContact O-N 3.16Å |
| 518 | Q | 71.7 | Confident | 78.7 | Confident | 101 Ų | 101 | 102.6 Ų | 102.6 | 47% | 0.472 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.6 | -38.6 | 175.6 | -172 | 173.3 | -16 | 0 | 0 | 112 | H514 E515 A516 L521 Q522 | H514-Q518 WeakPolarHBondContact O-CB 3.32Å; H514-Q518 PolarHBondContact O-N 3.42Å; E515-Q518 PolarHBondContact O-N 2.83Å; A516-Q518 VanDerWaalsContact C-N 3.3Å; A516-Q518 PolarHBondContact O-N 2.94Å; Q518-L521 PolarHBondContact O-N 3.15Å; Q518-Q522 WeakPolarHBondContact O-CB 3.4Å; Q518-Q522 PolarHBondContact O-N 3.35Å |
| 519 | Q | 75.3 | Confident | 78 | Confident | 148 Ų | 148 | 100.4 Ų | 100.4 | 69% | 0.692 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.3 | -37.9 | 173.6 | -81.8 | -170.3 | -15 | 0 | 0 | 113 | E515 A516 Q522 S523 | E515-Q519 PolarHBondContact O-N 3.31Å; A516-Q519 PolarHBondContact O-N 2.99Å; Q519-Q522 PolarHBondContact O-N 2.97Å; Q519-S523 WeakPolarHBondContact O-CB 3.47Å; Q519-S523 PolarHBondContact O-N 3.27Å |
| 520 | D | 78.3 | Confident | 77.4 | Confident | 82 Ų | 82 | 98.3 Ų | 98.3 | 44% | 0.439 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 173.6 | 172.9 | 62.9 | 0 | 0 | 0 | 111.8 | A516 S523 K524 | A516-D520 PolarHBondContact O-N 3.31Å; A516-D520 VanDerWaalsContact O-N 3.12Å; D520-S523 PolarHBondContact O-N 3.05Å; D520-K524 VanDerWaalsContact CG-NZ 3.28Å; D520-K524 WeakPolarHBondContact O-CG 3.45Å; D520-K524 PolarHBondContact O-N 3.17Å; D520-K524 VanDerWaalsContact O-N 3.1Å; D520-K524 VanDerWaalsContact OD1-CE 3.28Å; D520-K524 WeakPolarHBondContact OD1-CE 3.3Å; D520-K524 IonicContact OD1-NZ 3.04Å; D520-K524 PolarHBondContact OD1-NZ 2.93Å; D520-K524 WeakPolarHBondContact OD2-CE 3.35Å; D520-K524 IonicContact OD2-NZ 2.66Å; D520-K524 PolarHBondContact OD2-NZ 3.06Å |
| 521 | L | 77.8 | Confident | 76.9 | Confident | 108 Ų | 108 | 96.5 Ų | 96.5 | 57% | 0.565 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.7 | -41.3 | 171.6 | -75.5 | 170.1 | 0 | 0 | 0 | 112.6 | A517 Q518 S523 K524 F525 | A517-L521 PolarHBondContact O-N 3.12Å; A517-L521 VanDerWaalsContact O-N 3.16Å; Q518-L521 PolarHBondContact O-N 3.15Å; L521-S523 VanDerWaalsContact C-N 3.35Å; L521-S523 PolarHBondContact O-N 2.94Å; L521-K524 PolarHBondContact O-N 3.08Å; L521-F525 PolarHBondContact O-N 3.06Å |
| 522 | Q | 74.6 | Confident | 76.6 | Confident | 119 Ų | 119 | 97.5 Ų | 97.5 | 56% | 0.556 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.5 | -43.1 | 176.6 | -161.6 | 87.7 | 16.7 | 0 | 0 | 111 | Q518 Q519 F525 V526 | Q518-Q522 WeakPolarHBondContact O-CB 3.4Å; Q518-Q522 PolarHBondContact O-N 3.35Å; Q519-Q522 PolarHBondContact O-N 2.97Å; Q522-F525 WeakPolarHBondContact O-CB 3.3Å; Q522-F525 PolarHBondContact O-N 3.48Å; Q522-V526 WeakPolarHBondContact O-CG2 3.47Å; Q522-V526 PolarHBondContact O-N 2.98Å |
| 523 | S | 74.4 | Confident | 75.9 | Confident | 80 Ų | 80 | 100.5 Ų | 100.5 | 56% | 0.559 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.7 | -41.9 | 177.1 | -170.4 | 0 | 0 | 0 | 0 | 111.9 | Q519 D520 L521 F525 V526 A527 | Q519-S523 WeakPolarHBondContact O-CB 3.47Å; Q519-S523 PolarHBondContact O-N 3.27Å; D520-S523 PolarHBondContact O-N 3.05Å; L521-S523 VanDerWaalsContact C-N 3.35Å; L521-S523 PolarHBondContact O-N 2.94Å; S523-F525 VanDerWaalsContact C-N 3.33Å; S523-F525 PolarHBondContact O-N 3.25Å; S523-V526 PolarHBondContact O-N 3.47Å; S523-A527 PolarHBondContact O-N 3.03Å |
| 524 | K | 79.6 | Confident | 75.3 | Confident | 116 Ų | 116 | 99.5 Ų | 99.5 | 50% | 0.504 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.1 | -35.1 | 173.1 | -71.7 | 164.5 | -176.8 | 166.4 | 0 | 112.6 | D520 L521 K528 | D520-K524 VanDerWaalsContact CG-NZ 3.28Å; D520-K524 WeakPolarHBondContact O-CG 3.45Å; D520-K524 PolarHBondContact O-N 3.17Å; D520-K524 VanDerWaalsContact O-N 3.1Å; D520-K524 VanDerWaalsContact OD1-CE 3.28Å; D520-K524 WeakPolarHBondContact OD1-CE 3.3Å; D520-K524 IonicContact OD1-NZ 3.04Å; D520-K524 PolarHBondContact OD1-NZ 2.93Å; D520-K524 WeakPolarHBondContact OD2-CE 3.35Å; D520-K524 IonicContact OD2-NZ 2.66Å; D520-K524 PolarHBondContact OD2-NZ 3.06Å; L521-K524 PolarHBondContact O-N 3.08Å; K524-K528 PolarHBondContact O-N 3.37Å |
| 525 | F | 74.1 | Confident | 75 | Confident | 152 Ų | 152 | 99.5 Ų | 99.5 | 67% | 0.667 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.2 | -49.3 | 172.9 | -109.5 | -81.9 | 0 | 0 | 0 | 112.1 | L521 Q522 S523 A527 K528 E529 | L521-F525 PolarHBondContact O-N 3.06Å; Q522-F525 WeakPolarHBondContact O-CB 3.3Å; Q522-F525 PolarHBondContact O-N 3.48Å; S523-F525 VanDerWaalsContact C-N 3.33Å; S523-F525 PolarHBondContact O-N 3.25Å; F525-A527 VanDerWaalsContact C-N 3.28Å; F525-A527 PolarHBondContact O-N 3.44Å; F525-K528 CarbonylContact O-C 3.53Å; F525-K528 WeakPolarHBondContact O-CA 3.43Å; F525-K528 WeakPolarHBondContact O-CB 3.37Å; F525-K528 PolarHBondContact O-N 2.88Å; F525-E529 PolarHBondContact O-N 3.05Å |
| 526 | V | 77.6 | Confident | 74.3 | Confident | 66 Ų | 66 | 99.4 Ų | 99.4 | 40% | 0.4 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.7 | -37.4 | 178.3 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | Q522 S523 K528 E529 N530 | Q522-V526 WeakPolarHBondContact O-CG2 3.47Å; Q522-V526 PolarHBondContact O-N 2.98Å; S523-V526 PolarHBondContact O-N 3.47Å; V526-K528 VanDerWaalsContact C-N 3.3Å; V526-K528 PolarHBondContact O-N 3.46Å; V526-E529 PolarHBondContact O-N 2.96Å; V526-N530 PolarHBondContact O-N 3.46Å; V526-N530 PolarHBondContact O-ND2 2.9Å |
| 527 | A | 73.8 | Confident | 73.5 | Confident | 62 Ų | 62 | 100.2 Ų | 100.2 | 51% | 0.512 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.7 | -37.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S523 F525 | S523-A527 PolarHBondContact O-N 3.03Å; F525-A527 VanDerWaalsContact C-N 3.28Å; F525-A527 PolarHBondContact O-N 3.44Å |
| 528 | K | 74.9 | Confident | 72.6 | Confident | 125 Ų | 125 | 105.3 Ų | 105.3 | 54% | 0.543 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -76.8 | -33.9 | 175 | -75 | -75.3 | 153.5 | -161.6 | 0 | 112.8 | K524 F525 V526 E531 V532 | K524-K528 PolarHBondContact O-N 3.37Å; F525-K528 CarbonylContact O-C 3.53Å; F525-K528 WeakPolarHBondContact O-CA 3.43Å; F525-K528 WeakPolarHBondContact O-CB 3.37Å; F525-K528 PolarHBondContact O-N 2.88Å; V526-K528 VanDerWaalsContact C-N 3.3Å; V526-K528 PolarHBondContact O-N 3.46Å; K528-E531 WeakPolarHBondContact CD-OE2 3.48Å; K528-E531 WeakPolarHBondContact CE-OE2 3.35Å; K528-E531 IonicContact NZ-OE1 3.82Å; K528-E531 IonicContact NZ-OE2 2.64Å; K528-E531 PolarHBondContact NZ-OE2 3.43Å; K528-E531 VanDerWaalsContact O-CB 3.32Å; K528-E531 WeakPolarHBondContact O-CB 3.46Å; K528-E531 PolarHBondContact O-N 3.33Å; K528-V532 PolarHBondContact O-N 2.79Å; K528-V532 VanDerWaalsContact O-N 3.14Å |
| 529 | E | 71.2 | Confident | 72.2 | Confident | 105 Ų | 105 | 105.9 Ų | 105.9 | 49% | 0.491 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.7 | -37.4 | 177.7 | -167.5 | 164 | -157 | 0 | 0 | 112.1 | F525 V526 E531 V532 Q533 | F525-E529 PolarHBondContact O-N 3.05Å; V526-E529 PolarHBondContact O-N 2.96Å; E529-E531 VanDerWaalsContact C-N 3.29Å; E529-E531 PolarHBondContact O-N 3.25Å; E529-V532 PolarHBondContact O-N 3.25Å; E529-Q533 WeakPolarHBondContact O-CG 3.46Å; E529-Q533 PolarHBondContact O-N 3.27Å |
| 530 | N | 76.2 | Confident | 71.3 | Confident | 93 Ų | 93 | 102.5 Ų | 102.5 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.1 | -34.9 | 171.2 | -71.8 | -33.4 | 0 | 0 | 0 | 112.9 | V526 Q533 S534 | V526-N530 PolarHBondContact O-N 3.46Å; V526-N530 PolarHBondContact O-ND2 2.9Å; N530-Q533 PolarHBondContact O-N 2.94Å; N530-S534 PolarHBondContact O-N 2.92Å; N530-S534 VanDerWaalsContact O-N 3.07Å |
| 531 | E | 75.3 | Confident | 70.3 | Confident | 108 Ų | 108 | 105.3 Ų | 105.3 | 51% | 0.505 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.7 | -37.9 | 175.2 | -153.6 | 172.8 | -153.9 | 0 | 0 | 111 | K528 E529 L535 | K528-E531 WeakPolarHBondContact CD-OE2 3.48Å; K528-E531 WeakPolarHBondContact CE-OE2 3.35Å; K528-E531 IonicContact NZ-OE1 3.82Å; K528-E531 IonicContact NZ-OE2 2.64Å; K528-E531 PolarHBondContact NZ-OE2 3.43Å; K528-E531 VanDerWaalsContact O-CB 3.32Å; K528-E531 WeakPolarHBondContact O-CB 3.46Å; K528-E531 PolarHBondContact O-N 3.33Å; E529-E531 VanDerWaalsContact C-N 3.29Å; E529-E531 PolarHBondContact O-N 3.25Å; E531-L535 PolarHBondContact O-N 3.45Å |
| 532 | V | 71.9 | Confident | 69.1 | Low | 88 Ų | 88 | 105.1 Ų | 105.1 | 53% | 0.533 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -71.1 | -42.5 | 173.7 | 174.4 | 0 | 0 | 0 | 0 | 112.1 | K528 E529 S534 L535 H536 | K528-V532 PolarHBondContact O-N 2.79Å; K528-V532 VanDerWaalsContact O-N 3.14Å; E529-V532 PolarHBondContact O-N 3.25Å; V532-S534 VanDerWaalsContact C-N 3.3Å; V532-S534 PolarHBondContact O-N 3.36Å; V532-L535 WeakPolarHBondContact O-CB 3.46Å; V532-L535 PolarHBondContact O-N 2.82Å; V532-L535 VanDerWaalsContact O-N 3.14Å; V532-H536 PolarHBondContact O-N 2.99Å |
| 533 | Q | 68.8 | Low | 67.9 | Low | 116 Ų | 116 | 106.4 Ų | 106.4 | 54% | 0.542 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.3 | -33.6 | 177.6 | -72.8 | -175.4 | 7.2 | 0 | 0 | 112.5 | E529 N530 L535 H536 S537 | E529-Q533 WeakPolarHBondContact O-CG 3.46Å; E529-Q533 PolarHBondContact O-N 3.27Å; N530-Q533 PolarHBondContact O-N 2.94Å; Q533-L535 VanDerWaalsContact C-N 3.33Å; Q533-L535 PolarHBondContact O-N 2.78Å; Q533-H536 PolarHBondContact O-N 2.88Å; Q533-S537 PolarHBondContact O-N 3.5Å |
| 534 | S | 69.9 | Low | 67.1 | Low | 72 Ų | 72 | 109 Ų | 109 | 50% | 0.503 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.2 | -39.5 | 172.2 | -171.4 | 0 | 0 | 0 | 0 | 112.6 | N530 V532 | N530-S534 PolarHBondContact O-N 2.92Å; N530-S534 VanDerWaalsContact O-N 3.07Å; V532-S534 VanDerWaalsContact C-N 3.3Å; V532-S534 PolarHBondContact O-N 3.36Å |
| 535 | L | 70.8 | Confident | 65.9 | Low | 121 Ų | 121 | 108.7 Ų | 108.7 | 63% | 0.634 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70.7 | -37.9 | 173.6 | -65.8 | 170.6 | 0 | 0 | 0 | 111.7 | E531 V532 Q533 K538 | E531-L535 PolarHBondContact O-N 3.45Å; V532-L535 WeakPolarHBondContact O-CB 3.46Å; V532-L535 PolarHBondContact O-N 2.82Å; V532-L535 VanDerWaalsContact O-N 3.14Å; Q533-L535 VanDerWaalsContact C-N 3.33Å; Q533-L535 PolarHBondContact O-N 2.78Å; L535-K538 PolarHBondContact O-N 3.25Å |
| 536 | H | 62.2 | Low | 64.3 | Low | 112 Ų | 112 | 110 Ų | 110 | 52% | 0.519 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -68.3 | -34.3 | 179.7 | -148.2 | -32.9 | 0 | 0 | 0 | 112.7 | V532 Q533 K538 L539 T540 | V532-H536 PolarHBondContact O-N 2.99Å; Q533-H536 PolarHBondContact O-N 2.88Å; H536-K538 VanDerWaalsContact C-N 3.34Å; H536-K538 PolarHBondContact O-N 3.07Å; H536-L539 PolarHBondContact O-N 3.14Å; H536-L539 VanDerWaalsContact O-N 3.16Å; H536-T540 PolarHBondContact O-N 3.4Å; H536-T540 PolarHBondContact O-OG1 3.07Å |
| 537 | S | 64.8 | Low | 62.6 | Low | 77 Ų | 77 | 112.8 Ų | 112.8 | 54% | 0.538 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -60.7 | -40.4 | 174.9 | -171.4 | 0 | 0 | 0 | 0 | 112.3 | Q533 L539 T540 | Q533-S537 PolarHBondContact O-N 3.5Å; S537-L539 PolarHBondContact O-N 3.38Å; S537-T540 PolarHBondContact O-N 2.92Å |
| 538 | K | 62 | Low | 61.2 | Low | 161 Ų | 161 | 119.7 Ų | 119.7 | 70% | 0.7 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -68.1 | -18.8 | 176.1 | -71.7 | 178.3 | 177.7 | 173.5 | 0 | 114.5 | L535 H536 | L535-K538 PolarHBondContact O-N 3.25Å; H536-K538 VanDerWaalsContact C-N 3.34Å; H536-K538 PolarHBondContact O-N 3.07Å |
| 539 | L | 62.5 | Low | 59.9 | Low | 113 Ų | 113 | 119.9 Ų | 119.9 | 59% | 0.592 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -88.8 | -24.8 | 176.7 | -174.9 | 62.4 | 0 | 0 | 0 | 112.3 | H536 S537 T542 | H536-L539 PolarHBondContact O-N 3.14Å; H536-L539 VanDerWaalsContact O-N 3.16Å; S537-L539 PolarHBondContact O-N 3.38Å; L539-T542 PolarHBondContact O-N 2.91Å; L539-T542 PolarHBondContact O-OG1 3.29Å |
| 540 | T | 56.9 | Low | 58.6 | Low | 76 Ų | 76 | 123.4 Ų | 123.4 | 47% | 0.466 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -77 | -32.9 | -174.9 | -57 | 0 | 0 | 0 | 0 | 112.6 | H536 S537 T542 L543 | H536-T540 PolarHBondContact O-N 3.4Å; H536-T540 PolarHBondContact O-OG1 3.07Å; S537-T540 PolarHBondContact O-N 2.92Å; T540-T542 PolarHBondContact O-N 3.1Å; T540-T542 VanDerWaalsContact O-N 3.12Å; T540-L543 PolarHBondContact O-N 2.98Å |
| 541 | D | 57.2 | Low | 57.1 | Low | 141 Ų | 141 | 127.6 Ų | 127.6 | 75% | 0.754 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -14 | 174.6 | -77.5 | -18.2 | 0 | 0 | 0 | 113.7 | ||
| 542 | T | 52.5 | Low | 55.4 | Low | 104 Ų | 104 | 133.4 Ų | 133.4 | 64% | 0.638 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -1.7 | 179.6 | 2.7 | 0 | 0 | 0 | 0 | 114.5 | L539 T540 | L539-T542 PolarHBondContact O-N 2.91Å; L539-T542 PolarHBondContact O-OG1 3.29Å; T540-T542 PolarHBondContact O-N 3.1Å; T540-T542 VanDerWaalsContact O-N 3.12Å |
| 543 | L | 50 | Low | 54 | Low | 147 Ų | 147 | 137.9 Ų | 137.9 | 77% | 0.77 | 70% | 0.702 | S | S | * | * | trans | -119.2 | 7.5 | -170.5 | -138.1 | 75.7 | 0 | 0 | 0 | 115.8 | T540 S545 | T540-L543 PolarHBondContact O-N 2.98Å; L543-S545 VanDerWaalsContact C-N 3.29Å; L543-S545 PolarHBondContact O-N 3.24Å | ||
| 544 | V | 57.9 | Low | 52.7 | Low | 133 Ų | 133 | 138.4 Ų | 138.4 | 81% | 0.806 | 71% | 0.706 | S | S | * | * | trans | -83.9 | 58.8 | -177.3 | -171.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 545 | S | 52.8 | Low | 51.4 | Low | 110 Ų | 110 | 142.7 Ų | 142.7 | 77% | 0.769 | 72% | 0.718 | S | S | * | * | trans | -151.2 | 23.7 | -173.9 | 60.4 | 0 | 0 | 0 | 0 | 117.4 | L543 | L543-S545 VanDerWaalsContact C-N 3.29Å; L543-S545 PolarHBondContact O-N 3.24Å | ||
| 546 | K | 41.8 | Very low | 49.7 | Very low | 181 Ų | 181 | 145 Ų | 145 | 79% | 0.787 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -142.6 | 118 | 175.5 | -152.4 | -178.2 | -174.5 | -159.8 | 0 | 116.3 | ||
| 547 | Q | 41 | Very low | 48.4 | Very low | 124 Ų | 124 | 147.8 Ų | 147.8 | 58% | 0.579 | 75% | 0.745 | S | S | * | * | trans | 70.2 | 64.9 | 156.1 | -73.3 | 173.8 | -75.1 | 0 | 0 | 120 | L549 | Q547-L549 HydrophobicContact CB-CB 4.36Å; Q547-L549 HydrophobicContact CG-CB 4.37Å; Q547-L549 PolarHBondContact O-N 3.04Å | ||
| 548 | Q | 44.4 | Very low | 47.5 | Very low | 207 Ų | 207 | 153.7 Ų | 153.7 | 97% | 0.967 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | 55.9 | 141.9 | -165.6 | 176.8 | 23.2 | 0 | 0 | 112.7 | ||
| 549 | L | 47 | Very low | 46.2 | Very low | 129 Ų | 129 | 150.1 Ų | 150.1 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.9 | -23.7 | -170.7 | -147.6 | 89.5 | 0 | 0 | 0 | 118.1 | Q547 | Q547-L549 HydrophobicContact CB-CB 4.36Å; Q547-L549 HydrophobicContact CG-CB 4.37Å; Q547-L549 PolarHBondContact O-N 3.04Å |
| 550 | E | 45.5 | Very low | 45 | Very low | 179 Ų | 179 | 154.6 Ų | 154.6 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -109.8 | 18.8 | -167.2 | -68.7 | -174.3 | 160.8 | 0 | 0 | 115.8 | R552 | E550-R552 VanDerWaalsContact C-N 3.32Å; E550-R552 PolarHBondContact O-N 3.05Å |
| 551 | Q | 44.9 | Very low | 43.8 | Very low | 180 Ų | 180 | 158.6 Ų | 158.6 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -88.9 | 22.4 | 180 | -146.7 | 177.9 | 26.5 | 0 | 0 | 114.3 | ||
| 552 | R | 39.2 | Very low | 42.6 | Very low | 230 Ų | 230 | 159.8 Ų | 159.8 | 87% | 0.868 | 79% | 0.789 | S | S | * | * | trans | -144.3 | 21.1 | -166.6 | -118.9 | 179.1 | -166.9 | 152.8 | 4.7 | 119.4 | E550 M554 | E550-R552 VanDerWaalsContact C-N 3.32Å; E550-R552 PolarHBondContact O-N 3.05Å; R552-M554 VanDerWaalsContact C-N 3.35Å | ||
| 553 | L | 42.4 | Very low | 41.6 | Very low | 183 Ų | 183 | 166 Ų | 166 | 96% | 0.958 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -104.2 | 26.4 | 156.3 | -132.3 | 80.4 | 0 | 0 | 0 | 112.9 | ||
| 554 | M | 40.8 | Very low | 40.7 | Very low | 126 Ų | 126 | 162.9 Ų | 162.9 | 62% | 0.621 | 80% | 0.797 | S | S | * | * | trans | -58 | 146.2 | 157.2 | 167 | 179.4 | -76.3 | 0 | 0 | 110.8 | R552 | R552-M554 VanDerWaalsContact C-N 3.35Š| ||
| 555 | Q | 41.8 | Very low | 39.3 | Very low | 163 Ų | 163 | 161.9 Ų | 161.9 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | 53.5 | 89.5 | 159.8 | -67.9 | 157.5 | -6.1 | 0 | 0 | 117.3 | ||||
| 556 | L | 35.1 | Very low | 38.6 | Very low | 168 Ų | 168 | 166 Ų | 166 | 88% | 0.88 | 80% | 0.8 | S | S | * | * | trans | 179.7 | 93.2 | 136.9 | -101.7 | 161.3 | 0 | 0 | 0 | 111.8 | ||||
| 557 | M | 35.7 | Very low | 38.2 | Very low | 171 Ų | 171 | 165.5 Ų | 165.5 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | trans | -179.2 | 54.7 | 134.1 | -98.9 | -173.5 | -58.6 | 0 | 0 | 110.4 | S559 | M557-S559 PolarHBondContact O-N 3.01Š| ||
| 558 | E | 45.8 | Very low | 38.5 | Very low | 202 Ų | 202 | 168.7 Ų | 168.7 | 94% | 0.944 | 82% | 0.815 | S | S | * | * | trans | -76.9 | 63.1 | 159.9 | -170.9 | 169.4 | -155 | 0 | 0 | 108.5 | ||||
| 559 | S | 35.8 | Very low | 38.6 | Very low | 86 Ų | 86 | 163.4 Ų | 163.4 | 60% | 0.601 | 80% | 0.801 | S | S | * | * | trans | -165.8 | 73.4 | -176.7 | 64.7 | 0 | 0 | 0 | 0 | 114.4 | M557 | M557-S559 PolarHBondContact O-N 3.01Š| ||
| 560 | E | 35.8 | Very low | 38.8 | Very low | 206 Ų | 206 | 164.1 Ų | 164.1 | 96% | 0.963 | 81% | 0.805 | S | S | * | * | trans | -150.2 | 116.2 | 140.5 | -125.7 | -172.2 | -175.6 | 0 | 0 | 112.7 | ||||
| 561 | Q | 32.5 | Very low | 38.6 | Very low | 161 Ų | 161 | 164.1 Ų | 164.1 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | trans | -120.4 | 124.4 | -168.4 | 165.4 | 66 | -27.2 | 0 | 0 | 109 | ||||
| 562 | K | 31.4 | Very low | 39.3 | Very low | 165 Ų | 165 | 162.5 Ų | 162.5 | 72% | 0.717 | 80% | 0.8 | S | S | * | * | trans | 70.5 | 108.7 | 175.5 | -57.4 | 168.4 | 176.2 | 179.1 | 0 | 118.8 | ||||
| 563 | R | 32.9 | Very low | 39.7 | Very low | 234 Ų | 234 | 159.1 Ų | 159.1 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | 178 | 137.4 | 95.4 | -114.3 | 172.4 | -72.6 | 132.6 | 5 | 117 | |||||
| 564 | A | 29.7 | Very low | 40.4 | Very low | 83 Ų | 83 | 155.3 Ų | 155.3 | 69% | 0.686 | 78% | 0.779 | S | S | * | * | trans | 70.6 | 128.9 | 130.5 | 0 | 0 | 0 | 0 | 0 | 125 | ||||
| 565 | S | 28.9 | Very low | 40.9 | Very low | 111 Ų | 111 | 154.7 Ų | 154.7 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | 82.9 | 107.2 | 136.1 | 71.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 566 | K | 38.6 | Very low | 41.5 | Very low | 196 Ų | 196 | 153 Ų | 153 | 85% | 0.852 | 77% | 0.77 | S | S | * | * | 171.1 | 107.3 | 105.5 | -96.7 | -174.5 | 173.1 | -176.4 | 0 | 111.2 | |||||
| 567 | E | 33.3 | Very low | 42.6 | Very low | 171 Ų | 171 | 150.7 Ų | 150.7 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | trans | -153.7 | 36.3 | 152.2 | -157.1 | 68 | -107.3 | 0 | 0 | 109.3 | ||||
| 568 | E | 46.6 | Very low | 43.5 | Very low | 192 Ų | 192 | 147.7 Ų | 147.7 | 90% | 0.897 | 75% | 0.745 | S | S | * | * | trans | -103.4 | 57.4 | 177.5 | -166.8 | 173.1 | -137.5 | 0 | 0 | 108.1 | ||||
| 569 | S | 46.1 | Very low | 44.1 | Very low | 95 Ų | 95 | 144.8 Ų | 144.8 | 66% | 0.664 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -136.6 | 4 | -170.6 | -165.6 | 0 | 0 | 0 | 0 | 114.7 | ||
| 570 | L | 52.1 | Low | 45 | Very low | 144 Ų | 144 | 148.1 Ų | 148.1 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -135.7 | 31 | -179.3 | -76 | 176.3 | 0 | 0 | 0 | 113.8 | ||
| 571 | Q | 42.3 | Very low | 46 | Very low | 179 Ų | 179 | 143.8 Ų | 143.8 | 84% | 0.836 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -135.8 | 23.5 | 171.2 | -149.9 | 160.9 | 5.1 | 0 | 0 | 114.2 | ||
| 572 | I | 58.6 | Low | 47.6 | Very low | 146 Ų | 146 | 141.9 Ų | 141.9 | 75% | 0.749 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -111.7 | 15.6 | 171.7 | -61.6 | 176.3 | 0 | 0 | 0 | 110.7 | ||
| 573 | Q | 48.5 | Very low | 48.9 | Very low | 159 Ų | 159 | 137.5 Ų | 137.5 | 74% | 0.743 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -112.3 | 7.7 | 179.2 | -149.5 | 173.7 | 19.4 | 0 | 0 | 114.2 | ||
| 574 | V | 57.3 | Low | 50.2 | Low | 104 Ų | 104 | 131.6 Ų | 131.6 | 63% | 0.63 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -108.5 | -12.9 | 176.7 | 178.8 | 0 | 0 | 0 | 0 | 112 | ||
| 575 | Q | 50.2 | Low | 51.6 | Low | 112 Ų | 112 | 133.9 Ų | 133.9 | 52% | 0.523 | 69% | 0.686 | S | S | . | * | S | Bend | trans | -77.2 | -33.3 | -178.4 | -170.2 | 59.5 | 31 | 0 | 0 | 113.3 | I577 L578 | Q575-I577 VanDerWaalsContact C-N 3.25Å; Q575-I577 PolarHBondContact O-N 3.43Å; Q575-L578 PolarHBondContact O-N 3.42Å |
| 576 | D | 54.6 | Low | 53.1 | Low | 127 Ų | 127 | 131.5 Ų | 131.5 | 68% | 0.679 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -18.5 | -178.8 | -93.7 | 13.4 | 0 | 0 | 0 | 114.6 | ||
| 577 | I | 58.9 | Low | 54 | Low | 121 Ų | 121 | 127.6 Ų | 127.6 | 62% | 0.621 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -16.3 | -179.6 | -65.3 | 176.5 | 0 | 0 | 0 | 111.7 | Q575 | Q575-I577 VanDerWaalsContact C-N 3.25Å; Q575-I577 PolarHBondContact O-N 3.43Å |
| 578 | L | 54.4 | Low | 55.3 | Low | 108 Ų | 108 | 124.7 Ų | 124.7 | 57% | 0.565 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -31.4 | 178.5 | -77.9 | 165.6 | 0 | 0 | 0 | 113.1 | Q575 N581 | Q575-L578 PolarHBondContact O-N 3.42Å; L578-N581 PolarHBondContact O-N 3.47Å |
| 579 | E | 58.3 | Low | 55.7 | Low | 140 Ų | 140 | 122.2 Ų | 122.2 | 65% | 0.654 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -77.4 | -20.8 | -177.3 | -66.9 | -171.4 | 168.3 | 0 | 0 | 113.9 | N581 | E579-N581 VanDerWaalsContact C-N 3.35Å; E579-N581 PolarHBondContact O-N 3.29Å |
| 580 | Q | 54.3 | Low | 56.3 | Low | 157 Ų | 157 | 124.4 Ų | 124.4 | 73% | 0.734 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -75.8 | -18.3 | 174.9 | -67.2 | -169.2 | -11.1 | 0 | 0 | 114 | ||
| 581 | N | 57.5 | Low | 56.6 | Low | 115 Ų | 115 | 123.7 Ų | 123.7 | 62% | 0.615 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -86.8 | -23.8 | -179.6 | -104.1 | -60.2 | 0 | 0 | 0 | 114.2 | L578 E579 | L578-N581 PolarHBondContact O-N 3.47Å; E579-N581 VanDerWaalsContact C-N 3.35Å; E579-N581 PolarHBondContact O-N 3.29Å |
| 582 | E | 64.9 | Low | 56.9 | Low | 121 Ų | 121 | 121.7 Ų | 121.7 | 57% | 0.565 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -72.4 | -32.5 | 175.5 | -83.3 | -87 | 114.6 | 0 | 0 | 112 | L584 K585 A586 | E582-L584 PolarHBondContact O-N 3.5Å; E582-K585 WeakPolarHBondContact O-CB 3.38Å; E582-K585 PolarHBondContact O-N 3.49Å; E582-K585 VanDerWaalsContact O-N 3.14Å; E582-K585 IonicContact OE1-NZ 2.6Å; E582-K585 PolarHBondContact OE1-NZ 2.92Å; E582-A586 PolarHBondContact O-N 2.85Å |
| 583 | A | 58.1 | Low | 56.7 | Low | 73 Ų | 73 | 118.9 Ų | 118.9 | 60% | 0.603 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65 | -33.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | K585 | A583-K585 VanDerWaalsContact C-N 3.32Å |
| 584 | L | 60.5 | Low | 56.7 | Low | 109 Ų | 109 | 118 Ų | 118 | 57% | 0.571 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -73.1 | -24.3 | 175.5 | -98 | 155 | 0 | 0 | 0 | 113 | E582 | E582-L584 PolarHBondContact O-N 3.5Å |
| 585 | K | 59.6 | Low | 56.6 | Low | 131 Ų | 131 | 119.9 Ų | 119.9 | 57% | 0.57 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -78.3 | -36.2 | -177.7 | -159.1 | 173.1 | 169.7 | -166.2 | 0 | 111.9 | E582 A583 Q587 I588 Q589 | E582-K585 WeakPolarHBondContact O-CB 3.38Å; E582-K585 PolarHBondContact O-N 3.49Å; E582-K585 VanDerWaalsContact O-N 3.14Å; E582-K585 IonicContact OE1-NZ 2.6Å; E582-K585 PolarHBondContact OE1-NZ 2.92Å; A583-K585 VanDerWaalsContact C-N 3.32Å; K585-Q587 VanDerWaalsContact C-N 3.31Å; K585-Q587 PolarHBondContact O-N 3.14Å; K585-I588 PolarHBondContact O-N 3.21Å; K585-Q589 PolarHBondContact O-N 3.47Å |
| 586 | A | 60.7 | Low | 56.7 | Low | 61 Ų | 61 | 118.9 Ų | 118.9 | 50% | 0.504 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -63.8 | -33.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E582 Q589 Q590 | E582-A586 PolarHBondContact O-N 2.85Å; A586-Q589 PolarHBondContact O-N 2.8Å; A586-Q590 PolarHBondContact O-N 3.47Å |
| 587 | Q | 56.3 | Low | 56.8 | Low | 115 Ų | 115 | 116.9 Ų | 116.9 | 54% | 0.537 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -70.8 | -33.6 | 179.7 | -162.3 | 173.7 | 46.4 | 0 | 0 | 112.8 | K585 Q589 Q590 F591 | K585-Q587 VanDerWaalsContact C-N 3.31Å; K585-Q587 PolarHBondContact O-N 3.14Å; Q587-Q589 VanDerWaalsContact C-N 3.32Å; Q587-Q590 PolarHBondContact O-N 3.49Å; Q587-F591 HydrophobicContact CG-CE2 4.47Å; Q587-F591 WeakPolarHBondContact O-CD2 3.4Å |
| 588 | I | 60.8 | Low | 56.1 | Low | 109 Ų | 109 | 119.3 Ų | 119.3 | 56% | 0.559 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.7 | -31.3 | 176.5 | -66.8 | 171.4 | 0 | 0 | 0 | 111.6 | K585 H592 | K585-I588 PolarHBondContact O-N 3.21Å; I588-H592 PolarHBondContact O-ND1 3.14Å |
| 589 | Q | 55.8 | Low | 55.7 | Low | 141 Ų | 141 | 120.9 Ų | 120.9 | 66% | 0.659 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -74.4 | -28.7 | 179.1 | -157.9 | 167.6 | 2.9 | 0 | 0 | 112.4 | K585 A586 Q587 H592 S593 | K585-Q589 PolarHBondContact O-N 3.47Å; A586-Q589 PolarHBondContact O-N 2.8Å; Q587-Q589 VanDerWaalsContact C-N 3.32Å; Q589-H592 PolarHBondContact O-N 3.01Å; Q589-S593 PolarHBondContact O-N 2.92Å |
| 590 | Q | 59 | Low | 55.5 | Low | 140 Ų | 140 | 120.3 Ų | 120.3 | 65% | 0.654 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -68 | -39.7 | 177.5 | -169.1 | 174.3 | -0.7 | 0 | 0 | 112.9 | A586 Q587 | A586-Q590 PolarHBondContact O-N 3.47Å; Q587-Q590 PolarHBondContact O-N 3.49Å |
| 591 | F | 58.3 | Low | 55.3 | Low | 130 Ų | 130 | 116.1 Ų | 116.1 | 57% | 0.57 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -69.6 | -32.1 | 176.2 | -74.5 | -67.8 | 0 | 0 | 0 | 113.3 | Q587 S593 Q594 I595 | Q587-F591 HydrophobicContact CG-CE2 4.47Å; Q587-F591 WeakPolarHBondContact O-CD2 3.4Å; F591-S593 PolarHBondContact O-N 3.3Å; F591-Q594 PolarHBondContact O-N 3.24Å; F591-I595 PolarHBondContact O-N 3.41Å |
| 592 | H | 49.1 | Very low | 55.1 | Low | 136 Ų | 136 | 115 Ų | 115 | 63% | 0.63 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -64.6 | -38.1 | 176.7 | -82.5 | 83.9 | 0 | 0 | 0 | 112.6 | I588 Q589 Q594 | I588-H592 PolarHBondContact O-ND1 3.14Å; Q589-H592 PolarHBondContact O-N 3.01Å; H592-Q594 VanDerWaalsContact C-N 3.27Å; H592-Q594 PolarHBondContact O-N 2.93Å |
| 593 | S | 53.4 | Low | 54.8 | Low | 88 Ų | 88 | 114.6 Ų | 114.6 | 62% | 0.615 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -71.6 | -18.8 | 177.1 | -61.8 | 0 | 0 | 0 | 0 | 113.7 | Q589 F591 | Q589-S593 PolarHBondContact O-N 2.92Å; F591-S593 PolarHBondContact O-N 3.3Å |
| 594 | Q | 48.1 | Very low | 54.8 | Low | 139 Ų | 139 | 116.9 Ų | 116.9 | 65% | 0.65 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -87.2 | -25.9 | -179.1 | -152.1 | 167.8 | 20.6 | 0 | 0 | 112.9 | F591 H592 A596 | F591-Q594 PolarHBondContact O-N 3.24Å; H592-Q594 VanDerWaalsContact C-N 3.27Å; H592-Q594 PolarHBondContact O-N 2.93Å; Q594-A596 PolarHBondContact O-N 3.15Å |
| 595 | I | 56.8 | Low | 54.8 | Low | 145 Ų | 145 | 113.6 Ų | 113.6 | 74% | 0.744 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -73.6 | -18.2 | 172.7 | -66.2 | 174.9 | 0 | 0 | 0 | 111.7 | F591 A597 | F591-I595 PolarHBondContact O-N 3.41Å; I595-A597 PolarHBondContact O-N 3.13Å; I595-A597 VanDerWaalsContact O-N 3.17Å |
| 596 | A | 52.3 | Low | 55.1 | Low | 91 Ų | 91 | 114.1 Ų | 114.1 | 75% | 0.752 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -0.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q594 | Q594-A596 PolarHBondContact O-N 3.15Š|
| 597 | A | 55.3 | Low | 55.3 | Low | 84 Ų | 84 | 117.6 Ų | 117.6 | 69% | 0.694 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.9 | 17.2 | -166.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | I595 | I595-A597 PolarHBondContact O-N 3.13Å; I595-A597 VanDerWaalsContact O-N 3.17Å |
| 598 | Q | 45.1 | Very low | 56.1 | Low | 173 Ų | 173 | 116.7 Ų | 116.7 | 81% | 0.808 | 66% | 0.655 | S | S | * | * | trans | -157.5 | 84.3 | 175.8 | -159.3 | 171.7 | 13.7 | 0 | 0 | 115.7 | ||||
| 599 | T | 44.9 | Very low | 56.8 | Low | 140 Ų | 140 | 117.8 Ų | 117.8 | 86% | 0.859 | 66% | 0.657 | S | S | * | * | trans | -178.4 | 151.3 | 138.1 | 19.8 | 0 | 0 | 0 | 0 | 113.5 | A601 | T599-A601 PolarHBondContact O-N 2.69Š| ||
| 600 | S | 55.1 | Low | 57.8 | Low | 128 Ų | 128 | 119.1 Ų | 119.1 | 90% | 0.895 | 66% | 0.661 | S | S | * | * | trans | -82.3 | 86.5 | -172.8 | 51.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 601 | A | 49.4 | Very low | 58.4 | Low | 70 Ų | 70 | 116.5 Ų | 116.5 | 58% | 0.579 | 65% | 0.654 | S | S | * | * | trans | -119.2 | 5.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | T599 | T599-A601 PolarHBondContact O-N 2.69Š| ||
| 602 | S | 54.1 | Low | 59.3 | Low | 92 Ų | 92 | 114.2 Ų | 114.2 | 64% | 0.643 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -74.1 | -39.1 | -173.4 | -161.2 | 0 | 0 | 0 | 0 | 114.7 | ||
| 603 | V | 58.9 | Low | 60.8 | Low | 112 Ų | 112 | 110.6 Ų | 110.6 | 68% | 0.679 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -76.7 | -36.3 | -172.9 | -179.1 | 0 | 0 | 0 | 0 | 111.9 | A605 E606 E607 | V603-A605 VanDerWaalsContact C-N 3.27Å; V603-A605 PolarHBondContact O-N 3.02Å; V603-E606 PolarHBondContact O-N 2.97Å; V603-E607 PolarHBondContact O-N 3.29Å |
| 604 | L | 57.4 | Low | 61.9 | Low | 121 Ų | 121 | 110.6 Ų | 110.6 | 63% | 0.634 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -67.9 | -28.1 | 178.4 | -149.7 | 87.4 | 0 | 0 | 0 | 112.3 | L608 | L604-L608 HydrophobicContact CD2-CD1 4.46Å; L604-L608 WeakPolarHBondContact O-CB 3.48Å; L604-L608 PolarHBondContact O-N 3.01Å; L604-L608 VanDerWaalsContact O-N 3.08Å |
| 605 | A | 60.2 | Low | 63.4 | Low | 40 Ų | 40 | 108.6 Ų | 108.6 | 33% | 0.331 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -72.5 | -35.6 | -180 | 0 | 0 | 0 | 0 | 0 | 112.7 | V603 H609 | V603-A605 VanDerWaalsContact C-N 3.27Å; V603-A605 PolarHBondContact O-N 3.02Å; A605-H609 PolarHBondContact O-N 3.07Å; A605-H609 PolarHBondContact O-ND1 3.36Å; A605-H609 VanDerWaalsContact O-ND1 3.12Å |
| 606 | E | 66 | Low | 64.5 | Low | 142 Ų | 142 | 106 Ų | 106 | 66% | 0.664 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -72.4 | -39.9 | 177.3 | -70 | -174.6 | 136.1 | 0 | 0 | 112.2 | V603 H609 K610 | V603-E606 PolarHBondContact O-N 2.97Å; E606-H609 PolarHBondContact O-N 3.38Å; E606-K610 WeakPolarHBondContact O-CB 3.38Å; E606-K610 PolarHBondContact O-N 3Å |
| 607 | E | 65.7 | Low | 66 | Low | 134 Ų | 134 | 107.6 Ų | 107.6 | 63% | 0.626 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.4 | -39.8 | 172.3 | -72.9 | -164.8 | 133.8 | 0 | 0 | 112.1 | V603 K610 V611 | V603-E607 PolarHBondContact O-N 3.29Å; E607-K610 PolarHBondContact O-N 3.46Å; E607-V611 WeakPolarHBondContact O-CG2 3.41Å; E607-V611 PolarHBondContact O-N 3.37Å |
| 608 | L | 72.8 | Confident | 67.1 | Low | 96 Ų | 96 | 107.2 Ų | 107.2 | 50% | 0.503 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.7 | -46.6 | 173.4 | -88.5 | 165.4 | 0 | 0 | 0 | 112 | L604 K610 V611 I612 | L604-L608 HydrophobicContact CD2-CD1 4.46Å; L604-L608 WeakPolarHBondContact O-CB 3.48Å; L604-L608 PolarHBondContact O-N 3.01Å; L604-L608 VanDerWaalsContact O-N 3.08Å; L608-K610 VanDerWaalsContact C-N 3.3Å; L608-K610 PolarHBondContact O-N 3.46Å; L608-V611 PolarHBondContact O-N 3.01Å; L608-I612 WeakPolarHBondContact O-CB 3.25Å; L608-I612 WeakPolarHBondContact O-CD1 3.27Å; L608-I612 WeakPolarHBondContact O-CG1 3.45Å; L608-I612 PolarHBondContact O-N 3.32Å |
| 609 | H | 74.5 | Confident | 68.7 | Low | 132 Ų | 132 | 102.9 Ų | 102.9 | 61% | 0.611 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.7 | -37.7 | 175.5 | -77.3 | 132.9 | 0 | 0 | 0 | 112.7 | A605 E606 I612 A613 | A605-H609 PolarHBondContact O-N 3.07Å; A605-H609 PolarHBondContact O-ND1 3.36Å; A605-H609 VanDerWaalsContact O-ND1 3.12Å; E606-H609 PolarHBondContact O-N 3.38Å; H609-I612 PolarHBondContact O-N 3.38Å; H609-A613 WeakPolarHBondContact O-CB 3.46Å; H609-A613 PolarHBondContact O-N 3.47Å |
| 610 | K | 76.9 | Confident | 70.6 | Confident | 169 Ų | 169 | 102.3 Ų | 102.3 | 74% | 0.735 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -69.7 | -38.6 | 177.9 | -156.1 | 172.2 | -172 | 176.1 | 0 | 112.5 | E606 E607 L608 E614 | E606-K610 WeakPolarHBondContact O-CB 3.38Å; E606-K610 PolarHBondContact O-N 3Å; E607-K610 PolarHBondContact O-N 3.46Å; L608-K610 VanDerWaalsContact C-N 3.3Å; L608-K610 PolarHBondContact O-N 3.46Å; K610-E614 PolarHBondContact O-N 2.89Å; K610-E614 VanDerWaalsContact O-N 3.1Å |
| 611 | V | 73.2 | Confident | 71.8 | Confident | 85 Ų | 85 | 102 Ų | 102 | 52% | 0.515 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.9 | -36.4 | 173.5 | 171.7 | 0 | 0 | 0 | 0 | 111.6 | E607 L608 K615 | E607-V611 WeakPolarHBondContact O-CG2 3.41Å; E607-V611 PolarHBondContact O-N 3.37Å; L608-V611 PolarHBondContact O-N 3.01Å; V611-K615 HydrophobicContact CG1-CG 4.38Å; V611-K615 VanDerWaalsContact O-CB 3.3Å; V611-K615 WeakPolarHBondContact O-CB 3.44Å; V611-K615 WeakPolarHBondContact O-CG 3.44Å; V611-K615 PolarHBondContact O-N 3.42Å |
| 612 | I | 77.1 | Confident | 73.1 | Confident | 81 Ų | 81 | 102.7 Ų | 102.7 | 42% | 0.415 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.7 | -50.6 | 173.8 | -71.2 | 162.8 | 0 | 0 | 0 | 109.8 | L608 H609 E614 K615 D616 | L608-I612 WeakPolarHBondContact O-CB 3.25Å; L608-I612 WeakPolarHBondContact O-CD1 3.27Å; L608-I612 WeakPolarHBondContact O-CG1 3.45Å; L608-I612 PolarHBondContact O-N 3.32Å; H609-I612 PolarHBondContact O-N 3.38Å; I612-E614 VanDerWaalsContact C-N 3.35Å; I612-E614 PolarHBondContact O-N 2.85Å; I612-K615 CarbonylContact O-C 3.58Å; I612-K615 WeakPolarHBondContact O-CA 3.35Å; I612-K615 PolarHBondContact O-N 3.23Å; I612-D616 WeakPolarHBondContact CG2-OD2 3.2Å; I612-D616 PolarHBondContact O-N 2.97Å |
| 613 | A | 79.4 | Confident | 74.2 | Confident | 60 Ų | 60 | 103.8 Ų | 103.8 | 50% | 0.496 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.9 | -41 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | H609 K615 D616 K617 | H609-A613 WeakPolarHBondContact O-CB 3.46Å; H609-A613 PolarHBondContact O-N 3.47Å; A613-K615 VanDerWaalsContact C-N 3.34Å; A613-D616 PolarHBondContact O-N 3.28Å; A613-K617 WeakPolarHBondContact O-CB 3.42Å; A613-K617 PolarHBondContact O-N 2.94Å |
| 614 | E | 76.9 | Confident | 75.4 | Confident | 89 Ų | 89 | 102.5 Ų | 102.5 | 42% | 0.416 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.5 | -31.8 | 174.7 | -176.1 | 57.2 | -148 | 0 | 0 | 112.1 | K610 I612 Q618 | K610-E614 PolarHBondContact O-N 2.89Å; K610-E614 VanDerWaalsContact O-N 3.1Å; I612-E614 VanDerWaalsContact C-N 3.35Å; I612-E614 PolarHBondContact O-N 2.85Å; E614-Q618 WeakPolarHBondContact O-CG 3.37Å; E614-Q618 PolarHBondContact O-N 3.17Å; E614-Q618 PolarHBondContact OE1-NE2 3.38Å |
| 615 | K | 79.8 | Confident | 76.5 | Confident | 96 Ų | 96 | 100.1 Ų | 100.1 | 42% | 0.417 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -73.7 | -36.2 | 174.4 | -75.3 | -71.1 | 160.3 | -149.9 | 0 | 113 | V611 I612 A613 Q618 L619 | V611-K615 HydrophobicContact CG1-CG 4.38Å; V611-K615 VanDerWaalsContact O-CB 3.3Å; V611-K615 WeakPolarHBondContact O-CB 3.44Å; V611-K615 WeakPolarHBondContact O-CG 3.44Å; V611-K615 PolarHBondContact O-N 3.42Å; I612-K615 CarbonylContact O-C 3.58Å; I612-K615 WeakPolarHBondContact O-CA 3.35Å; I612-K615 PolarHBondContact O-N 3.23Å; A613-K615 VanDerWaalsContact C-N 3.34Å; K615-Q618 PolarHBondContact O-N 3.45Å; K615-L619 WeakPolarHBondContact O-CB 3.4Å; K615-L619 PolarHBondContact O-N 3.24Å |
| 616 | D | 79.3 | Confident | 77.6 | Confident | 91 Ų | 91 | 103.1 Ų | 103.1 | 49% | 0.487 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.7 | -36.6 | 174.6 | -67.4 | -20.3 | 0 | 0 | 0 | 110.7 | I612 A613 L619 K620 | I612-D616 WeakPolarHBondContact CG2-OD2 3.2Å; I612-D616 PolarHBondContact O-N 2.97Å; A613-D616 PolarHBondContact O-N 3.28Å; D616-L619 PolarHBondContact O-N 3.48Å; D616-K620 WeakPolarHBondContact O-CB 3.39Å; D616-K620 PolarHBondContact O-N 3.38Å |
| 617 | K | 84.9 | Confident | 78.4 | Confident | 124 Ų | 124 | 98.2 Ų | 98.2 | 54% | 0.539 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 170.5 | -173 | -177.5 | 176.2 | -169.9 | 0 | 112.4 | A613 K620 Q621 | A613-K617 WeakPolarHBondContact O-CB 3.42Å; A613-K617 PolarHBondContact O-N 2.94Å; K617-K620 PolarHBondContact O-N 3.38Å; K617-Q621 PolarHBondContact O-N 2.91Å |
| 618 | Q | 76.9 | Confident | 79.2 | Confident | 77 Ų | 77 | 97.1 Ų | 97.1 | 36% | 0.36 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.7 | -39 | 173.8 | -74.6 | 174.8 | 14.7 | 0 | 0 | 112 | E614 K615 Q621 T622 | E614-Q618 WeakPolarHBondContact O-CG 3.37Å; E614-Q618 PolarHBondContact O-N 3.17Å; E614-Q618 PolarHBondContact OE1-NE2 3.38Å; K615-Q618 PolarHBondContact O-N 3.45Å; Q618-Q621 PolarHBondContact O-N 3.46Å; Q618-T622 PolarHBondContact O-N 2.92Å; Q618-T622 PolarHBondContact O-OG1 2.82Å |
| 619 | L | 79.5 | Confident | 79.5 | Confident | 82 Ų | 82 | 98.1 Ų | 98.1 | 43% | 0.429 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.1 | -48.5 | 174.8 | -122.8 | 167.7 | 0 | 0 | 0 | 110.4 | K615 D616 Q621 T622 E623 | K615-L619 WeakPolarHBondContact O-CB 3.4Å; K615-L619 PolarHBondContact O-N 3.24Å; D616-L619 PolarHBondContact O-N 3.48Å; L619-Q621 PolarHBondContact O-N 3.43Å; L619-T622 WeakPolarHBondContact CA-OG1 3.31Å; L619-T622 CarbonylContact O-C 3.57Å; L619-T622 WeakPolarHBondContact O-CA 3.44Å; L619-T622 PolarHBondContact O-N 3.32Å; L619-T622 PolarHBondContact O-OG1 3.48Å; L619-E623 HydrophobicContact CD2-CG 4.24Å; L619-E623 WeakPolarHBondContact O-CG 3.48Å; L619-E623 PolarHBondContact O-N 3.08Å |
| 620 | K | 85.2 | Confident | 79.8 | Confident | 128 Ų | 128 | 97.5 Ų | 97.5 | 56% | 0.557 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62 | -43.4 | 178.1 | -169.2 | 162.4 | -174.9 | 170.4 | 0 | 112.6 | D616 K617 T622 E623 D624 | D616-K620 WeakPolarHBondContact O-CB 3.39Å; D616-K620 PolarHBondContact O-N 3.38Å; K617-K620 PolarHBondContact O-N 3.38Å; K620-T622 VanDerWaalsContact C-N 3.28Å; K620-T622 PolarHBondContact O-N 3.46Å; K620-E623 PolarHBondContact O-N 3.14Å; K620-E623 VanDerWaalsContact O-N 3.15Å; K620-D624 WeakPolarHBondContact O-CB 3.45Å; K620-D624 PolarHBondContact O-N 2.93Å |
| 621 | Q | 79.8 | Confident | 80.1 | Confident | 120 Ų | 120 | 94.7 Ų | 94.7 | 56% | 0.561 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61 | -34.6 | 172.2 | -80.2 | -170.4 | -58.7 | 0 | 0 | 113.2 | K617 Q618 L619 S625 | K617-Q621 PolarHBondContact O-N 2.91Å; Q618-Q621 PolarHBondContact O-N 3.46Å; L619-Q621 PolarHBondContact O-N 3.43Å; Q621-S625 WeakPolarHBondContact O-CB 3.45Å; Q621-S625 PolarHBondContact O-N 3.4Å; Q621-S625 PolarHBondContact O-OG 3.33Å |
| 622 | T | 76.4 | Confident | 80.4 | Confident | 86 Ų | 86 | 95 Ų | 95 | 53% | 0.528 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -74.9 | -31.2 | 173.9 | 54.1 | 0 | 0 | 0 | 0 | 113.3 | Q618 L619 K620 L626 | Q618-T622 PolarHBondContact O-N 2.92Å; Q618-T622 PolarHBondContact O-OG1 2.82Å; L619-T622 WeakPolarHBondContact CA-OG1 3.31Å; L619-T622 CarbonylContact O-C 3.57Å; L619-T622 WeakPolarHBondContact O-CA 3.44Å; L619-T622 PolarHBondContact O-N 3.32Å; L619-T622 PolarHBondContact O-OG1 3.48Å; K620-T622 VanDerWaalsContact C-N 3.28Å; K620-T622 PolarHBondContact O-N 3.46Å; T622-L626 VanDerWaalsContact O-CB 3.23Å; T622-L626 WeakPolarHBondContact O-CB 3.49Å; T622-L626 PolarHBondContact O-N 2.97Å |
| 623 | E | 77.5 | Confident | 80.5 | Confident | 114 Ų | 114 | 96.2 Ų | 96.2 | 53% | 0.533 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.4 | -45.4 | 173.3 | -73.5 | 173.8 | 158.1 | 0 | 0 | 111 | L619 K620 S625 L626 A627 | L619-E623 HydrophobicContact CD2-CG 4.24Å; L619-E623 WeakPolarHBondContact O-CG 3.48Å; L619-E623 PolarHBondContact O-N 3.08Å; K620-E623 PolarHBondContact O-N 3.14Å; K620-E623 VanDerWaalsContact O-N 3.15Å; E623-S625 VanDerWaalsContact C-N 3.31Å; E623-S625 PolarHBondContact O-N 2.88Å; E623-L626 CarbonylContact O-C 3.55Å; E623-L626 PolarHBondContact O-N 3.16Å; E623-A627 WeakPolarHBondContact O-CB 3.41Å; E623-A627 PolarHBondContact O-N 3.31Å |
| 624 | D | 84.3 | Confident | 80.6 | Confident | 85 Ų | 85 | 95.9 Ų | 95.9 | 46% | 0.455 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.4 | -37.8 | 175 | -62.4 | -26.1 | 0 | 0 | 0 | 111.2 | K620 N628 | K620-D624 WeakPolarHBondContact O-CB 3.45Å; K620-D624 PolarHBondContact O-N 2.93Å; D624-N628 PolarHBondContact O-N 3.06Å; D624-N628 VanDerWaalsContact O-N 3.1Å |
| 625 | S | 81.5 | Confident | 81 | Confident | 72 Ų | 72 | 94.2 Ų | 94.2 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.4 | -37.7 | 174.2 | -57.5 | 0 | 0 | 0 | 0 | 112.4 | Q621 E623 E629 | Q621-S625 WeakPolarHBondContact O-CB 3.45Å; Q621-S625 PolarHBondContact O-N 3.4Å; Q621-S625 PolarHBondContact O-OG 3.33Å; E623-S625 VanDerWaalsContact C-N 3.31Å; E623-S625 PolarHBondContact O-N 2.88Å; S625-E629 PolarHBondContact O-N 3.21Å; S625-E629 VanDerWaalsContact O-N 3.08Å |
| 626 | L | 83.1 | Confident | 81.1 | Confident | 102 Ų | 102 | 94.7 Ų | 94.7 | 53% | 0.534 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71.8 | -33.2 | 176.8 | -174.9 | 64.5 | 0 | 0 | 0 | 111.8 | T622 E623 E629 Q630 | T622-L626 VanDerWaalsContact O-CB 3.23Å; T622-L626 WeakPolarHBondContact O-CB 3.49Å; T622-L626 PolarHBondContact O-N 2.97Å; E623-L626 CarbonylContact O-C 3.55Å; E623-L626 PolarHBondContact O-N 3.16Å; L626-E629 PolarHBondContact O-N 3.48Å; L626-Q630 WeakPolarHBondContact O-CB 3.48Å; L626-Q630 VanDerWaalsContact O-CG 3.31Å; L626-Q630 WeakPolarHBondContact O-CG 3.36Å; L626-Q630 PolarHBondContact O-N 2.85Å |
| 627 | A | 81.6 | Confident | 81 | Confident | 39 Ų | 39 | 97.3 Ų | 97.3 | 32% | 0.322 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.2 | -47.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | E623 E629 Q630 D631 | E623-A627 WeakPolarHBondContact O-CB 3.41Å; E623-A627 PolarHBondContact O-N 3.31Å; A627-E629 VanDerWaalsContact C-N 3.32Å; A627-E629 PolarHBondContact O-N 2.99Å; A627-Q630 CarbonylContact O-C 3.51Å; A627-Q630 WeakPolarHBondContact O-CA 3.37Å; A627-Q630 WeakPolarHBondContact O-CB 3.32Å; A627-Q630 PolarHBondContact O-N 2.91Å; A627-D631 PolarHBondContact O-N 3.33Å |
| 628 | N | 83.3 | Confident | 81 | Confident | 112 Ų | 112 | 97.7 Ų | 97.7 | 60% | 0.599 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.6 | -37.9 | 174.2 | -74 | -20.4 | 0 | 0 | 0 | 112.9 | D624 H632 | D624-N628 PolarHBondContact O-N 3.06Å; D624-N628 VanDerWaalsContact O-N 3.1Å; N628-H632 VanDerWaalsContact O-CB 3.31Å; N628-H632 WeakPolarHBondContact O-CB 3.26Å; N628-H632 PolarHBondContact O-N 3.43Å |
| 629 | E | 79.5 | Confident | 81.2 | Confident | 117 Ų | 117 | 99.7 Ų | 99.7 | 55% | 0.547 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65 | -38.6 | 172.1 | -79 | -86.4 | 136.2 | 0 | 0 | 111.9 | S625 L626 A627 L633 | S625-E629 PolarHBondContact O-N 3.21Å; S625-E629 VanDerWaalsContact O-N 3.08Å; L626-E629 PolarHBondContact O-N 3.48Å; A627-E629 VanDerWaalsContact C-N 3.32Å; A627-E629 PolarHBondContact O-N 2.99Å; E629-L633 WeakPolarHBondContact O-CB 3.31Å; E629-L633 VanDerWaalsContact O-CG 3.27Å; E629-L633 WeakPolarHBondContact O-CG 3.46Å; E629-L633 PolarHBondContact O-N 3.3Å |
| 630 | Q | 79.3 | Confident | 81.3 | Confident | 118 Ų | 118 | 100.6 Ų | 100.6 | 55% | 0.551 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.4 | -41.6 | 175.5 | -76.4 | 175.7 | -3.5 | 0 | 0 | 112.4 | L626 A627 L633 A634 | L626-Q630 WeakPolarHBondContact O-CB 3.48Å; L626-Q630 VanDerWaalsContact O-CG 3.31Å; L626-Q630 WeakPolarHBondContact O-CG 3.36Å; L626-Q630 PolarHBondContact O-N 2.85Å; A627-Q630 CarbonylContact O-C 3.51Å; A627-Q630 WeakPolarHBondContact O-CA 3.37Å; A627-Q630 WeakPolarHBondContact O-CB 3.32Å; A627-Q630 PolarHBondContact O-N 2.91Å; Q630-L633 PolarHBondContact O-N 2.96Å; Q630-A634 WeakPolarHBondContact O-CB 3.48Å; Q630-A634 PolarHBondContact O-N 3.41Å |
| 631 | D | 83.4 | Confident | 81.2 | Confident | 110 Ų | 110 | 100.8 Ų | 100.8 | 59% | 0.588 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.6 | -39.8 | 176 | -70.3 | -21.3 | 0 | 0 | 0 | 111.5 | A627 A634 S635 | A627-D631 PolarHBondContact O-N 3.33Å; D631-A634 PolarHBondContact O-N 3.02Å; D631-S635 WeakPolarHBondContact O-CB 3.39Å; D631-S635 PolarHBondContact O-N 2.66Å |
| 632 | H | 80.7 | Confident | 81.5 | Confident | 93 Ų | 93 | 99.5 Ų | 99.5 | 43% | 0.431 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.2 | -32.4 | 174.7 | 178.1 | -123.7 | 0 | 0 | 0 | 112.8 | N628 K636 | N628-H632 VanDerWaalsContact O-CB 3.31Å; N628-H632 WeakPolarHBondContact O-CB 3.26Å; N628-H632 PolarHBondContact O-N 3.43Å; H632-K636 PolarHBondContact CE1-NZ 3.44Å; H632-K636 VanDerWaalsContact CE1-NZ 3.34Å; H632-K636 WeakPolarHBondContact NE2-CE 3.45Å; H632-K636 WeakPolarHBondContact O-CG 3.46Å; H632-K636 PolarHBondContact O-N 3.44Å; H632-K636 VanDerWaalsContact O-N 3.09Å |
| 633 | L | 78.9 | Confident | 81.7 | Confident | 105 Ų | 105 | 100 Ų | 100 | 55% | 0.55 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.9 | -41.2 | 170.2 | -78.2 | 169 | 0 | 0 | 0 | 111.8 | E629 Q630 K636 E637 | E629-L633 WeakPolarHBondContact O-CB 3.31Å; E629-L633 VanDerWaalsContact O-CG 3.27Å; E629-L633 WeakPolarHBondContact O-CG 3.46Å; E629-L633 PolarHBondContact O-N 3.3Å; Q630-L633 PolarHBondContact O-N 2.96Å; L633-K636 PolarHBondContact O-N 2.89Å; L633-E637 WeakPolarHBondContact O-CB 3.43Å; L633-E637 PolarHBondContact O-N 3.41Å |
| 634 | A | 80.4 | Confident | 81.7 | Confident | 53 Ų | 53 | 100.3 Ų | 100.3 | 44% | 0.438 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q630 D631 K636 E637 E638 | Q630-A634 WeakPolarHBondContact O-CB 3.48Å; Q630-A634 PolarHBondContact O-N 3.41Å; D631-A634 PolarHBondContact O-N 3.02Å; A634-K636 VanDerWaalsContact C-N 3.34Å; A634-K636 PolarHBondContact O-N 3.23Å; A634-E637 PolarHBondContact O-N 2.9Å; A634-E638 PolarHBondContact O-N 3.25Å |
| 635 | S | 86.3 | Confident | 81.9 | Confident | 55 Ų | 55 | 100.2 Ų | 100.2 | 39% | 0.385 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.3 | -40.3 | 173.3 | 174.7 | 0 | 0 | 0 | 0 | 112.4 | D631 E638 E639 | D631-S635 WeakPolarHBondContact O-CB 3.39Å; D631-S635 PolarHBondContact O-N 2.66Å; S635-E638 PolarHBondContact O-N 2.74Å; S635-E639 PolarHBondContact O-N 3.3Å |
| 636 | K | 81.6 | Confident | 82.1 | Confident | 105 Ų | 105 | 102.8 Ų | 102.8 | 46% | 0.457 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -71.5 | -29.9 | 174.6 | -76.6 | -178.9 | 174.5 | -179.1 | 0 | 113.9 | H632 L633 A634 L640 | H632-K636 PolarHBondContact CE1-NZ 3.44Å; H632-K636 VanDerWaalsContact CE1-NZ 3.34Å; H632-K636 WeakPolarHBondContact NE2-CE 3.45Å; H632-K636 WeakPolarHBondContact O-CG 3.46Å; H632-K636 PolarHBondContact O-N 3.44Å; H632-K636 VanDerWaalsContact O-N 3.09Å; L633-K636 PolarHBondContact O-N 2.89Å; A634-K636 VanDerWaalsContact C-N 3.34Å; A634-K636 PolarHBondContact O-N 3.23Å; K636-L640 VanDerWaalsContact O-CB 3.29Å; K636-L640 WeakPolarHBondContact O-CB 3.46Å; K636-L640 PolarHBondContact O-N 3.42Å |
| 637 | E | 77.2 | Confident | 81.7 | Confident | 146 Ų | 146 | 102.9 Ų | 102.9 | 68% | 0.682 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69.4 | -36.2 | 172.9 | -169.3 | 172.4 | -175.8 | 0 | 0 | 110.9 | L633 A634 K641 | L633-E637 WeakPolarHBondContact O-CB 3.43Å; L633-E637 PolarHBondContact O-N 3.41Å; A634-E637 PolarHBondContact O-N 2.9Å; E637-K641 WeakPolarHBondContact O-CB 3.34Å; E637-K641 PolarHBondContact O-N 3.24Å |
| 638 | E | 83.6 | Confident | 82 | Confident | 132 Ų | 132 | 108.5 Ų | 108.5 | 62% | 0.617 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.2 | -48.8 | 171.7 | -169.7 | 164 | -144.8 | 0 | 0 | 112 | A634 S635 L640 K641 D642 | A634-E638 PolarHBondContact O-N 3.25Å; S635-E638 PolarHBondContact O-N 2.74Å; E638-L640 VanDerWaalsContact C-N 3.31Å; E638-L640 PolarHBondContact O-N 2.95Å; E638-K641 WeakPolarHBondContact O-CB 3.38Å; E638-K641 PolarHBondContact O-N 3.03Å; E638-K641 VanDerWaalsContact O-N 3.08Å; E638-D642 PolarHBondContact O-N 3.01Å |
| 639 | E | 81.8 | Confident | 82.1 | Confident | 120 Ų | 120 | 108.3 Ų | 108.3 | 56% | 0.561 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -56.8 | -42.6 | 173.2 | -74.1 | -177.5 | 169.9 | 0 | 0 | 112.3 | S635 K641 D642 V643 | S635-E639 PolarHBondContact O-N 3.3Å; E639-K641 VanDerWaalsContact C-N 3.31Å; E639-K641 PolarHBondContact O-N 2.91Å; E639-D642 PolarHBondContact O-N 3.32Å; E639-V643 WeakPolarHBondContact O-CG2 3.28Å; E639-V643 PolarHBondContact O-N 2.92Å |
| 640 | L | 82.1 | Confident | 82.2 | Confident | 100 Ų | 100 | 108.3 Ų | 108.3 | 52% | 0.524 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.6 | -36.5 | 177.4 | -177.2 | 63.3 | 0 | 0 | 0 | 111.8 | K636 E638 V643 Q644 | K636-L640 VanDerWaalsContact O-CB 3.29Å; K636-L640 WeakPolarHBondContact O-CB 3.46Å; K636-L640 PolarHBondContact O-N 3.42Å; E638-L640 VanDerWaalsContact C-N 3.31Å; E638-L640 PolarHBondContact O-N 2.95Å; L640-V643 PolarHBondContact O-N 2.84Å; L640-Q644 WeakPolarHBondContact O-CG 3.45Å; L640-Q644 PolarHBondContact O-N 3.02Å |
| 641 | K | 83.8 | Confident | 82.4 | Confident | 132 Ų | 132 | 108.7 Ų | 108.7 | 57% | 0.574 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -68.9 | -38.8 | 177.4 | -167.7 | 177.1 | -175.7 | 179.7 | 0 | 111.7 | E637 E638 E639 Q644 N645 | E637-K641 WeakPolarHBondContact O-CB 3.34Å; E637-K641 PolarHBondContact O-N 3.24Å; E638-K641 WeakPolarHBondContact O-CB 3.38Å; E638-K641 PolarHBondContact O-N 3.03Å; E638-K641 VanDerWaalsContact O-N 3.08Å; E639-K641 VanDerWaalsContact C-N 3.31Å; E639-K641 PolarHBondContact O-N 2.91Å; K641-Q644 PolarHBondContact O-N 3.08Å; K641-N645 WeakPolarHBondContact O-CB 3.32Å; K641-N645 PolarHBondContact O-N 2.82Å; K641-N645 PolarHBondContact O-ND2 2.84Å |
| 642 | D | 84.9 | Confident | 82.3 | Confident | 94 Ų | 94 | 105.4 Ų | 105.4 | 50% | 0.503 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.3 | -40 | 173 | -80 | -11.5 | 0 | 0 | 0 | 112.2 | E638 E639 Q644 N645 M646 | E638-D642 PolarHBondContact O-N 3.01Å; E639-D642 PolarHBondContact O-N 3.32Å; D642-Q644 VanDerWaalsContact C-N 3.32Å; D642-Q644 PolarHBondContact O-N 3.42Å; D642-N645 PolarHBondContact O-N 3.3Å; D642-M646 WeakPolarHBondContact O-CB 3.38Å; D642-M646 WeakPolarHBondContact O-CG 3.32Å; D642-M646 PolarHBondContact O-N 3.23Å |
| 643 | V | 80.8 | Confident | 82.5 | Confident | 97 Ų | 97 | 105 Ų | 105 | 59% | 0.588 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62 | -39 | 171.3 | 171.2 | 0 | 0 | 0 | 0 | 111.5 | E639 L640 N647 | E639-V643 WeakPolarHBondContact O-CG2 3.28Å; E639-V643 PolarHBondContact O-N 2.92Å; L640-V643 PolarHBondContact O-N 2.84Å; V643-N647 WeakPolarHBondContact O-CB 3.36Å; V643-N647 PolarHBondContact O-N 3.38Å |
| 644 | Q | 77.9 | Confident | 82.5 | Confident | 120 Ų | 120 | 104.1 Ų | 104.1 | 56% | 0.561 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.8 | -42.5 | 173.7 | -76.3 | 179.1 | 3.9 | 0 | 0 | 112.5 | L640 K641 D642 N647 F648 | L640-Q644 WeakPolarHBondContact O-CG 3.45Å; L640-Q644 PolarHBondContact O-N 3.02Å; K641-Q644 PolarHBondContact O-N 3.08Å; D642-Q644 VanDerWaalsContact C-N 3.32Å; D642-Q644 PolarHBondContact O-N 3.42Å; Q644-N647 PolarHBondContact O-N 2.95Å; Q644-F648 WeakPolarHBondContact O-CB 3.19Å; Q644-F648 PolarHBondContact O-N 3.37Å |
| 645 | N | 87.1 | Confident | 82.5 | Confident | 83 Ų | 83 | 107.6 Ų | 107.6 | 44% | 0.444 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 175.6 | -71.5 | -29.3 | 0 | 0 | 0 | 111.5 | K641 D642 N647 F648 L649 | K641-N645 WeakPolarHBondContact O-CB 3.32Å; K641-N645 PolarHBondContact O-N 2.82Å; K641-N645 PolarHBondContact O-ND2 2.84Å; D642-N645 PolarHBondContact O-N 3.3Å; N645-N647 VanDerWaalsContact C-N 3.35Å; N645-F648 WeakPolarHBondContact O-CB 3.18Å; N645-F648 PolarHBondContact O-N 3.1Å; N645-L649 WeakPolarHBondContact O-CG 3.38Å; N645-L649 PolarHBondContact O-N 3.42Å |
| 646 | M | 86.5 | Confident | 82.4 | Confident | 126 Ų | 126 | 110.8 Ų | 110.8 | 62% | 0.621 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.4 | -36.8 | 175 | -72 | -61.6 | -68.5 | 0 | 0 | 112.2 | D642 L649 L650 | D642-M646 WeakPolarHBondContact O-CB 3.38Å; D642-M646 WeakPolarHBondContact O-CG 3.32Å; D642-M646 PolarHBondContact O-N 3.23Å; M646-L649 PolarHBondContact O-N 3.3Å; M646-L649 HydrophobicContact SD-CD1 4.25Å; M646-L650 VanDerWaalsContact O-CB 3.3Å; M646-L650 WeakPolarHBondContact O-CB 3.42Å; M646-L650 PolarHBondContact O-N 2.92Å |
| 647 | N | 74.3 | Confident | 82.4 | Confident | 104 Ų | 104 | 110.7 Ų | 110.7 | 56% | 0.556 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65.8 | -39.5 | 173.6 | -162.8 | -87.8 | 0 | 0 | 0 | 111.7 | V643 Q644 N645 L650 K651 | V643-N647 WeakPolarHBondContact O-CB 3.36Å; V643-N647 PolarHBondContact O-N 3.38Å; Q644-N647 PolarHBondContact O-N 2.95Å; N645-N647 VanDerWaalsContact C-N 3.35Å; N647-L650 PolarHBondContact O-N 3.33Å; N647-K651 WeakPolarHBondContact O-CB 3.37Å; N647-K651 PolarHBondContact O-N 2.99Å |
| 648 | F | 89 | Confident | 82.3 | Confident | 156 Ų | 156 | 109 Ų | 109 | 68% | 0.684 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.1 | -45.2 | 174.9 | -175.3 | -94.7 | 0 | 0 | 0 | 112 | Q644 N645 K651 A652 | Q644-F648 WeakPolarHBondContact O-CB 3.19Å; Q644-F648 PolarHBondContact O-N 3.37Å; N645-F648 WeakPolarHBondContact O-CB 3.18Å; N645-F648 PolarHBondContact O-N 3.1Å; F648-K651 PolarHBondContact O-N 3.06Å; F648-A652 WeakPolarHBondContact O-CB 3.37Å; F648-A652 PolarHBondContact O-N 3.12Å |
| 649 | L | 85.9 | Confident | 82 | Confident | 108 Ų | 108 | 105.3 Ų | 105.3 | 57% | 0.565 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.1 | -45.5 | 174.8 | -75.3 | 167.2 | 0 | 0 | 0 | 112.1 | N645 M646 K651 A652 E653 | N645-L649 WeakPolarHBondContact O-CG 3.38Å; N645-L649 PolarHBondContact O-N 3.42Å; M646-L649 PolarHBondContact O-N 3.3Å; M646-L649 HydrophobicContact SD-CD1 4.25Å; L649-K651 VanDerWaalsContact C-N 3.31Å; L649-K651 PolarHBondContact O-N 3.48Å; L649-A652 PolarHBondContact O-N 2.99Å; L649-E653 PolarHBondContact O-N 2.93Å |
| 650 | L | 81.4 | Confident | 81.8 | Confident | 117 Ų | 117 | 104.4 Ų | 104.4 | 61% | 0.613 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63 | -39.2 | 176.9 | -171.2 | 67.8 | 0 | 0 | 0 | 111.4 | M646 N647 E653 V654 | M646-L650 VanDerWaalsContact O-CB 3.3Å; M646-L650 WeakPolarHBondContact O-CB 3.42Å; M646-L650 PolarHBondContact O-N 2.92Å; N647-L650 PolarHBondContact O-N 3.33Å; L650-E653 PolarHBondContact O-N 2.94Å; L650-V654 WeakPolarHBondContact O-CB 3.36Å; L650-V654 VanDerWaalsContact O-CG2 3.3Å; L650-V654 WeakPolarHBondContact O-CG2 3.42Å; L650-V654 PolarHBondContact O-N 3.21Å |
| 651 | K | 83.6 | Confident | 81.5 | Confident | 126 Ų | 126 | 101.8 Ų | 101.8 | 55% | 0.548 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.3 | -38.1 | 175.7 | -171.7 | 174.2 | -176.7 | 177.4 | 0 | 112.2 | N647 F648 L649 Q655 | N647-K651 WeakPolarHBondContact O-CB 3.37Å; N647-K651 PolarHBondContact O-N 2.99Å; F648-K651 PolarHBondContact O-N 3.06Å; L649-K651 VanDerWaalsContact C-N 3.31Å; L649-K651 PolarHBondContact O-N 3.48Å; K651-Q655 WeakPolarHBondContact O-CB 3.43Å; K651-Q655 WeakPolarHBondContact O-CG 3.1Å; K651-Q655 PolarHBondContact O-N 3.46Å |
| 652 | A | 81.3 | Confident | 81.1 | Confident | 42 Ų | 42 | 100.1 Ų | 100.1 | 35% | 0.347 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.6 | -42.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F648 L649 Q655 K656 | F648-A652 WeakPolarHBondContact O-CB 3.37Å; F648-A652 PolarHBondContact O-N 3.12Å; L649-A652 PolarHBondContact O-N 2.99Å; A652-Q655 PolarHBondContact O-N 2.88Å; A652-K656 WeakPolarHBondContact O-CB 3.35Å; A652-K656 PolarHBondContact O-N 2.83Å |
| 653 | E | 83 | Confident | 80.9 | Confident | 83 Ų | 83 | 101.9 Ų | 101.9 | 39% | 0.388 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.7 | -36.8 | 177.2 | -164.1 | 60.3 | -151.5 | 0 | 0 | 111.8 | L649 L650 Q655 K656 L657 | L649-E653 PolarHBondContact O-N 2.93Å; L650-E653 PolarHBondContact O-N 2.94Å; E653-Q655 PolarHBondContact O-N 3.31Å; E653-K656 PolarHBondContact O-N 3.25Å; E653-K656 IonicContact OE1-NZ 2.76Å; E653-K656 PolarHBondContact OE1-NZ 3.49Å; E653-K656 IonicContact OE2-NZ 3.74Å; E653-K656 PolarHBondContact OE2-NZ 3.34Å; E653-L657 WeakPolarHBondContact O-CB 3.46Å; E653-L657 WeakPolarHBondContact O-CG 3.49Å; E653-L657 PolarHBondContact O-N 2.91Å |
| 654 | V | 79.1 | Confident | 80.5 | Confident | 87 Ų | 87 | 103.6 Ų | 103.6 | 53% | 0.527 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 170.6 | 168.5 | 0 | 0 | 0 | 0 | 111.5 | L650 K656 L657 Q658 | L650-V654 WeakPolarHBondContact O-CB 3.36Å; L650-V654 VanDerWaalsContact O-CG2 3.3Å; L650-V654 WeakPolarHBondContact O-CG2 3.42Å; L650-V654 PolarHBondContact O-N 3.21Å; V654-K656 VanDerWaalsContact C-N 3.34Å; V654-L657 PolarHBondContact O-N 3.28Å; V654-Q658 WeakPolarHBondContact O-CB 3.44Å; V654-Q658 PolarHBondContact O-N 2.89Å |
| 655 | Q | 80.4 | Confident | 80.4 | Confident | 127 Ų | 127 | 100.7 Ų | 100.7 | 59% | 0.593 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.6 | -37.5 | 174.1 | -77.6 | 179.6 | -27.7 | 0 | 0 | 112.4 | K651 A652 E653 Q658 A659 | K651-Q655 WeakPolarHBondContact O-CB 3.43Å; K651-Q655 WeakPolarHBondContact O-CG 3.1Å; K651-Q655 PolarHBondContact O-N 3.46Å; A652-Q655 PolarHBondContact O-N 2.88Å; E653-Q655 PolarHBondContact O-N 3.31Å; Q655-Q658 PolarHBondContact O-N 2.9Å; Q655-A659 WeakPolarHBondContact O-CB 3.4Å; Q655-A659 PolarHBondContact O-N 2.83Å |
| 656 | K | 85.2 | Confident | 79.9 | Confident | 121 Ų | 121 | 99.6 Ų | 99.6 | 53% | 0.526 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.9 | -42.1 | 176.4 | 178.4 | 161 | 151.4 | -99.7 | 0 | 112.4 | A652 E653 V654 A659 L660 | A652-K656 WeakPolarHBondContact O-CB 3.35Å; A652-K656 PolarHBondContact O-N 2.83Å; E653-K656 PolarHBondContact O-N 3.25Å; E653-K656 IonicContact OE1-NZ 2.76Å; E653-K656 PolarHBondContact OE1-NZ 3.49Å; E653-K656 IonicContact OE2-NZ 3.74Å; E653-K656 PolarHBondContact OE2-NZ 3.34Å; V654-K656 VanDerWaalsContact C-N 3.34Å; K656-A659 PolarHBondContact O-N 2.85Å; K656-L660 WeakPolarHBondContact O-CB 3.12Å; K656-L660 PolarHBondContact O-N 3.47Å |
| 657 | L | 80.8 | Confident | 79.4 | Confident | 103 Ų | 103 | 97.3 Ų | 97.3 | 54% | 0.539 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.8 | -39.3 | 172.2 | -70.4 | 171.1 | 0 | 0 | 0 | 111.9 | E653 V654 L660 A661 | E653-L657 WeakPolarHBondContact O-CB 3.46Å; E653-L657 WeakPolarHBondContact O-CG 3.49Å; E653-L657 PolarHBondContact O-N 2.91Å; V654-L657 PolarHBondContact O-N 3.28Å; L657-L660 PolarHBondContact O-N 3.45Å; L657-A661 WeakPolarHBondContact O-CB 3.45Å; L657-A661 PolarHBondContact O-N 3.1Å |
| 658 | Q | 75.1 | Confident | 79.3 | Confident | 110 Ų | 110 | 95.2 Ų | 95.2 | 51% | 0.514 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65 | -39.7 | 174.6 | -173.7 | 64.5 | 60.7 | 0 | 0 | 112.1 | V654 Q655 N662 | V654-Q658 WeakPolarHBondContact O-CB 3.44Å; V654-Q658 PolarHBondContact O-N 2.89Å; Q655-Q658 PolarHBondContact O-N 2.9Å; Q658-N662 PolarHBondContact NE2-OD1 3.13Å; Q658-N662 WeakPolarHBondContact O-CB 3.41Å; Q658-N662 PolarHBondContact O-N 3.32Å; Q658-N662 PolarHBondContact O-ND2 3.44Å; Q658-N662 PolarHBondContact O-OD1 2.9Å |
| 659 | A | 77.4 | Confident | 78.9 | Confident | 55 Ų | 55 | 92.2 Ų | 92.2 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q655 K656 A661 N662 E663 | Q655-A659 WeakPolarHBondContact O-CB 3.4Å; Q655-A659 PolarHBondContact O-N 2.83Å; K656-A659 PolarHBondContact O-N 2.85Å; A659-A661 PolarHBondContact O-N 3.49Å; A659-N662 WeakPolarHBondContact O-CB 3.49Å; A659-N662 PolarHBondContact O-N 2.93Å; A659-E663 WeakPolarHBondContact O-CB 3.26Å; A659-E663 PolarHBondContact O-N 3.34Å |
| 660 | L | 78.9 | Confident | 78.4 | Confident | 101 Ų | 101 | 91 Ų | 91 | 53% | 0.529 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.7 | -37.6 | 179.1 | -165.1 | 145.3 | 0 | 0 | 0 | 112.2 | K656 L657 E663 Q664 | K656-L660 WeakPolarHBondContact O-CB 3.12Å; K656-L660 PolarHBondContact O-N 3.47Å; L657-L660 PolarHBondContact O-N 3.45Å; L660-E663 PolarHBondContact O-N 3.14Å; L660-Q664 WeakPolarHBondContact O-CB 3.25Å; L660-Q664 PolarHBondContact O-N 3.38Å |
| 661 | A | 75.8 | Confident | 78.1 | Confident | 46 Ų | 46 | 89.2 Ų | 89.2 | 38% | 0.38 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65 | -39.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L657 A659 Q664 A665 | L657-A661 WeakPolarHBondContact O-CB 3.45Å; L657-A661 PolarHBondContact O-N 3.1Å; A659-A661 PolarHBondContact O-N 3.49Å; A661-Q664 PolarHBondContact O-N 2.93Å; A661-A665 WeakPolarHBondContact O-CB 3.35Å; A661-A665 PolarHBondContact O-N 3Å |
| 662 | N | 75.7 | Confident | 77.8 | Confident | 96 Ų | 96 | 87.1 Ų | 87.1 | 51% | 0.513 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.6 | -38.1 | 175.9 | -68.1 | -10.9 | 0 | 0 | 0 | 111.9 | Q658 A659 A665 A666 | Q658-N662 PolarHBondContact NE2-OD1 3.13Å; Q658-N662 WeakPolarHBondContact O-CB 3.41Å; Q658-N662 PolarHBondContact O-N 3.32Å; Q658-N662 PolarHBondContact O-ND2 3.44Å; Q658-N662 PolarHBondContact O-OD1 2.9Å; A659-N662 WeakPolarHBondContact O-CB 3.49Å; A659-N662 PolarHBondContact O-N 2.93Å; N662-A665 PolarHBondContact O-N 2.93Å; N662-A666 WeakPolarHBondContact O-CB 3.38Å; N662-A666 PolarHBondContact O-N 2.98Å |
| 663 | E | 79.6 | Confident | 77.7 | Confident | 132 Ų | 132 | 90.2 Ų | 90.2 | 62% | 0.617 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68 | -38.8 | 174.8 | -170.8 | 174.7 | -174.1 | 0 | 0 | 111.6 | A659 L660 A665 A666 T667 | A659-E663 WeakPolarHBondContact O-CB 3.26Å; A659-E663 PolarHBondContact O-N 3.34Å; L660-E663 PolarHBondContact O-N 3.14Å; E663-A665 VanDerWaalsContact C-N 3.34Å; E663-A665 PolarHBondContact O-N 3.4Å; E663-A666 PolarHBondContact O-N 3.23Å; E663-T667 WeakPolarHBondContact O-CG2 3.39Å; E663-T667 PolarHBondContact O-N 2.99Å; E663-T667 PolarHBondContact O-OG1 3.39Å |
| 664 | Q | 73.4 | Confident | 77.5 | Confident | 132 Ų | 132 | 91.1 Ų | 91.1 | 62% | 0.617 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.1 | -36.5 | 172.6 | -165.7 | 171.2 | 11.4 | 0 | 0 | 112.2 | L660 A661 T667 A668 | L660-Q664 WeakPolarHBondContact O-CB 3.25Å; L660-Q664 PolarHBondContact O-N 3.38Å; A661-Q664 PolarHBondContact O-N 2.93Å; Q664-T667 WeakPolarHBondContact CA-OG1 3.07Å; Q664-T667 PolarHBondContact O-OG1 3.45Å; Q664-T667 VanDerWaalsContact O-OG1 3.05Å; Q664-A668 VanDerWaalsContact O-CB 3.31Å; Q664-A668 WeakPolarHBondContact O-CB 3.31Å; Q664-A668 PolarHBondContact O-N 3.45Å |
| 665 | A | 74.6 | Confident | 77.3 | Confident | 59 Ų | 59 | 92 Ų | 92 | 49% | 0.488 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.4 | -38.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A661 N662 E663 H669 | A661-A665 WeakPolarHBondContact O-CB 3.35Å; A661-A665 PolarHBondContact O-N 3Å; N662-A665 PolarHBondContact O-N 2.93Å; E663-A665 VanDerWaalsContact C-N 3.34Å; E663-A665 PolarHBondContact O-N 3.4Å; A665-H669 WeakPolarHBondContact O-CB 3.47Å; A665-H669 PolarHBondContact O-N 2.91Å |
| 666 | A | 76.2 | Confident | 77.3 | Confident | 60 Ų | 60 | 91.2 Ų | 91.2 | 50% | 0.496 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.1 | -43 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | N662 E663 H669 E670 | N662-A666 WeakPolarHBondContact O-CB 3.38Å; N662-A666 PolarHBondContact O-N 2.98Å; E663-A666 PolarHBondContact O-N 3.23Å; A666-H669 PolarHBondContact O-N 2.85Å; A666-E670 PolarHBondContact O-N 3.33Å |
| 667 | T | 76.9 | Confident | 77.1 | Confident | 79 Ų | 79 | 88 Ų | 88 | 49% | 0.485 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.1 | -40.5 | 175.1 | 48.2 | 0 | 0 | 0 | 0 | 111.9 | E663 Q664 H669 E670 V671 | E663-T667 WeakPolarHBondContact O-CG2 3.39Å; E663-T667 PolarHBondContact O-N 2.99Å; E663-T667 PolarHBondContact O-OG1 3.39Å; Q664-T667 WeakPolarHBondContact CA-OG1 3.07Å; Q664-T667 PolarHBondContact O-OG1 3.45Å; Q664-T667 VanDerWaalsContact O-OG1 3.05Å; T667-H669 VanDerWaalsContact C-N 3.34Å; T667-H669 PolarHBondContact O-N 3.27Å; T667-E670 PolarHBondContact O-N 3.19Å; T667-V671 WeakPolarHBondContact O-CG2 3.44Å; T667-V671 PolarHBondContact O-N 3.48Å |
| 668 | A | 72.8 | Confident | 77.1 | Confident | 59 Ų | 59 | 86.7 Ų | 86.7 | 49% | 0.488 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q664 V671 E672 | Q664-A668 VanDerWaalsContact O-CB 3.31Å; Q664-A668 WeakPolarHBondContact O-CB 3.31Å; Q664-A668 PolarHBondContact O-N 3.45Å; A668-V671 PolarHBondContact O-N 2.94Å; A668-E672 PolarHBondContact O-N 2.78Å |
| 669 | H | 79 | Confident | 77.3 | Confident | 94 Ų | 94 | 86 Ų | 86 | 44% | 0.435 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.7 | -38.5 | 177.3 | -177.1 | -83.4 | 0 | 0 | 0 | 112.7 | A665 A666 T667 E672 K673 | A665-H669 WeakPolarHBondContact O-CB 3.47Å; A665-H669 PolarHBondContact O-N 2.91Å; A666-H669 PolarHBondContact O-N 2.85Å; T667-H669 VanDerWaalsContact C-N 3.34Å; T667-H669 PolarHBondContact O-N 3.27Å; H669-E672 PolarHBondContact O-N 3.26Å; H669-K673 WeakPolarHBondContact O-CB 3.46Å; H669-K673 PolarHBondContact O-N 3.3Å |
| 670 | E | 76.6 | Confident | 77.6 | Confident | 82 Ų | 82 | 88.2 Ų | 88.2 | 38% | 0.383 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -70.9 | -33.1 | 175.1 | -163 | 60.7 | -151.1 | 0 | 0 | 111.6 | A666 T667 K673 M674 | A666-E670 PolarHBondContact O-N 3.33Å; T667-E670 PolarHBondContact O-N 3.19Å; E670-K673 PolarHBondContact O-N 2.96Å; E670-K673 IonicContact OE1-NZ 2.93Å; E670-K673 PolarHBondContact OE1-NZ 3.11Å; E670-K673 WeakPolarHBondContact OE2-CD 3.26Å; E670-K673 IonicContact OE2-NZ 2.83Å; E670-K673 PolarHBondContact OE2-NZ 2.95Å; E670-M674 WeakPolarHBondContact O-CB 3.46Å; E670-M674 WeakPolarHBondContact O-CG 3.33Å; E670-M674 PolarHBondContact O-N 3.5Å |
| 671 | V | 74.3 | Confident | 77.7 | Confident | 79 Ų | 79 | 89.5 Ų | 89.5 | 48% | 0.479 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.7 | -45.2 | 168.5 | 169.5 | 0 | 0 | 0 | 0 | 111.5 | T667 A668 K673 M674 Q675 | T667-V671 WeakPolarHBondContact O-CG2 3.44Å; T667-V671 PolarHBondContact O-N 3.48Å; A668-V671 PolarHBondContact O-N 2.94Å; V671-K673 VanDerWaalsContact C-N 3.29Å; V671-K673 PolarHBondContact O-N 3.49Å; V671-M674 HydrophobicContact CG2-CE 4.03Å; V671-M674 PolarHBondContact O-N 2.99Å; V671-Q675 WeakPolarHBondContact O-CB 3.34Å; V671-Q675 PolarHBondContact O-N 3.41Å |
| 672 | E | 78.7 | Confident | 77.8 | Confident | 83 Ų | 83 | 91.9 Ų | 91.9 | 39% | 0.388 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.3 | -38 | 175.7 | -164.5 | -156.9 | 153.5 | 0 | 0 | 111.9 | A668 H669 Q675 K676 | A668-E672 PolarHBondContact O-N 2.78Å; H669-E672 PolarHBondContact O-N 3.26Å; E672-Q675 WeakPolarHBondContact O-CB 3.39Å; E672-Q675 PolarHBondContact O-N 2.96Å; E672-K676 WeakPolarHBondContact O-CB 3.4Å; E672-K676 WeakPolarHBondContact O-CG 3.47Å; E672-K676 PolarHBondContact O-N 3.41Å; E672-K676 VanDerWaalsContact OE1-CE 3.29Å; E672-K676 WeakPolarHBondContact OE1-CE 3.45Å; E672-K676 IonicContact OE1-NZ 2.69Å; E672-K676 PolarHBondContact OE1-NZ 2.97Å |
| 673 | K | 79.1 | Confident | 78.1 | Confident | 107 Ų | 107 | 91 Ų | 91 | 47% | 0.465 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.8 | -39.2 | 175.4 | 176.8 | 171 | 157.6 | -118.5 | 0 | 112.3 | H669 E670 V671 S677 | H669-K673 WeakPolarHBondContact O-CB 3.46Å; H669-K673 PolarHBondContact O-N 3.3Å; E670-K673 PolarHBondContact O-N 2.96Å; E670-K673 IonicContact OE1-NZ 2.93Å; E670-K673 PolarHBondContact OE1-NZ 3.11Å; E670-K673 WeakPolarHBondContact OE2-CD 3.26Å; E670-K673 IonicContact OE2-NZ 2.83Å; E670-K673 PolarHBondContact OE2-NZ 2.95Å; V671-K673 VanDerWaalsContact C-N 3.29Å; V671-K673 PolarHBondContact O-N 3.49Å; K673-S677 WeakPolarHBondContact O-CB 3.29Å; K673-S677 PolarHBondContact O-N 2.98Å |
| 674 | M | 77.4 | Confident | 78.4 | Confident | 101 Ų | 101 | 91.4 Ų | 91.4 | 50% | 0.498 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.6 | -44.9 | 170 | -74.2 | -170.8 | -66.1 | 0 | 0 | 111.3 | E670 V671 K676 S677 I678 | E670-M674 WeakPolarHBondContact O-CB 3.46Å; E670-M674 WeakPolarHBondContact O-CG 3.33Å; E670-M674 PolarHBondContact O-N 3.5Å; V671-M674 HydrophobicContact CG2-CE 4.03Å; V671-M674 PolarHBondContact O-N 2.99Å; M674-K676 VanDerWaalsContact C-N 3.34Å; M674-K676 PolarHBondContact O-N 3.31Å; M674-S677 CarbonylContact O-C 3.59Å; M674-S677 PolarHBondContact O-N 3.18Å; M674-S677 VanDerWaalsContact O-N 3.13Å; M674-I678 WeakPolarHBondContact O-CB 3.35Å; M674-I678 VanDerWaalsContact O-CG1 3.28Å; M674-I678 WeakPolarHBondContact O-CG1 3.26Å; M674-I678 PolarHBondContact O-N 2.97Å |
| 675 | Q | 75.7 | Confident | 78.8 | Confident | 106 Ų | 106 | 89.3 Ų | 89.3 | 50% | 0.495 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -54.7 | -48.9 | 176 | -165 | 82.1 | 2.9 | 0 | 0 | 110.9 | V671 E672 I678 H679 | V671-Q675 WeakPolarHBondContact O-CB 3.34Å; V671-Q675 PolarHBondContact O-N 3.41Å; E672-Q675 WeakPolarHBondContact O-CB 3.39Å; E672-Q675 PolarHBondContact O-N 2.96Å; Q675-I678 WeakPolarHBondContact O-CB 3.43Å; Q675-I678 PolarHBondContact O-N 3.36Å; Q675-H679 PolarHBondContact O-N 2.95Å; Q675-H679 PolarHBondContact O-ND1 3.38Å |
| 676 | K | 80.1 | Confident | 79.3 | Confident | 110 Ų | 110 | 92.4 Ų | 92.4 | 48% | 0.478 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.8 | -38.7 | 176.4 | -74.2 | 172.5 | 175.3 | 175.5 | 0 | 112.7 | E672 M674 I678 H679 V680 | E672-K676 WeakPolarHBondContact O-CB 3.4Å; E672-K676 WeakPolarHBondContact O-CG 3.47Å; E672-K676 PolarHBondContact O-N 3.41Å; E672-K676 VanDerWaalsContact OE1-CE 3.29Å; E672-K676 WeakPolarHBondContact OE1-CE 3.45Å; E672-K676 IonicContact OE1-NZ 2.69Å; E672-K676 PolarHBondContact OE1-NZ 2.97Å; M674-K676 VanDerWaalsContact C-N 3.34Å; M674-K676 PolarHBondContact O-N 3.31Å; K676-I678 VanDerWaalsContact C-N 3.27Å; K676-I678 PolarHBondContact O-N 3.03Å; K676-H679 PolarHBondContact O-N 3.34Å; K676-V680 WeakPolarHBondContact O-CG2 3.23Å; K676-V680 PolarHBondContact O-N 3.29Å |
| 677 | S | 81.6 | Confident | 79.7 | Confident | 53 Ų | 53 | 94 Ų | 94 | 37% | 0.371 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.6 | -28.7 | 172.7 | -179.5 | 0 | 0 | 0 | 0 | 112.8 | K673 M674 K681 | K673-S677 WeakPolarHBondContact O-CB 3.29Å; K673-S677 PolarHBondContact O-N 2.98Å; M674-S677 CarbonylContact O-C 3.59Å; M674-S677 PolarHBondContact O-N 3.18Å; M674-S677 VanDerWaalsContact O-N 3.13Å; S677-K681 WeakPolarHBondContact O-CB 3.39Å; S677-K681 WeakPolarHBondContact O-CD 3.3Å; S677-K681 WeakPolarHBondContact O-CG 3.42Å; S677-K681 PolarHBondContact O-N 3.04Å |
| 678 | I | 80.1 | Confident | 80.1 | Confident | 77 Ų | 77 | 94.6 Ų | 94.6 | 40% | 0.395 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -72.5 | -49.2 | 175.2 | -72.3 | 162.9 | 0 | 0 | 0 | 109.1 | M674 Q675 K676 V680 K681 E682 | M674-I678 WeakPolarHBondContact O-CB 3.35Å; M674-I678 VanDerWaalsContact O-CG1 3.28Å; M674-I678 WeakPolarHBondContact O-CG1 3.26Å; M674-I678 PolarHBondContact O-N 2.97Å; Q675-I678 WeakPolarHBondContact O-CB 3.43Å; Q675-I678 PolarHBondContact O-N 3.36Å; K676-I678 VanDerWaalsContact C-N 3.27Å; K676-I678 PolarHBondContact O-N 3.03Å; I678-V680 PolarHBondContact O-N 2.98Å; I678-K681 CarbonylContact O-C 3.59Å; I678-K681 WeakPolarHBondContact O-CA 3.45Å; I678-K681 WeakPolarHBondContact O-CB 3.43Å; I678-K681 PolarHBondContact O-N 2.95Å; I678-E682 HydrophobicContact CG2-CG 4.26Å; I678-E682 WeakPolarHBondContact CG2-OE1 3.4Å; I678-E682 WeakPolarHBondContact CG2-OE2 3.39Å; I678-E682 WeakPolarHBondContact O-CG 3.37Å; I678-E682 PolarHBondContact O-N 3.5Å |
| 679 | H | 79.3 | Confident | 80.4 | Confident | 95 Ų | 95 | 96.9 Ų | 96.9 | 44% | 0.44 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -58 | -45 | 176.9 | -73.4 | 56.8 | 0 | 0 | 0 | 112 | Q675 K676 K681 E682 D683 | Q675-H679 PolarHBondContact O-N 2.95Å; Q675-H679 PolarHBondContact O-ND1 3.38Å; K676-H679 PolarHBondContact O-N 3.34Å; H679-K681 VanDerWaalsContact C-N 3.27Å; H679-K681 PolarHBondContact O-N 3.14Å; H679-E682 PolarHBondContact O-N 3.45Å; H679-E682 VanDerWaalsContact O-N 3.16Å; H679-D683 PolarHBondContact O-N 2.81Å |
| 680 | V | 84.6 | Confident | 80.6 | Confident | 102 Ų | 102 | 97.5 Ų | 97.5 | 62% | 0.618 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.8 | -30.2 | 175.8 | 171.8 | 0 | 0 | 0 | 0 | 112.4 | K676 I678 K684 | K676-V680 WeakPolarHBondContact O-CG2 3.23Å; K676-V680 PolarHBondContact O-N 3.29Å; I678-V680 PolarHBondContact O-N 2.98Å; V680-K684 WeakPolarHBondContact O-CB 3.48Å; V680-K684 PolarHBondContact O-N 3.35Å |
| 681 | K | 79.6 | Confident | 80.9 | Confident | 128 Ų | 128 | 99 Ų | 99 | 56% | 0.557 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -73.8 | -39.7 | 172.3 | -77.4 | 168.7 | -177.4 | 172.8 | 0 | 111.3 | S677 I678 H679 K684 I685 | S677-K681 WeakPolarHBondContact O-CB 3.39Å; S677-K681 WeakPolarHBondContact O-CD 3.3Å; S677-K681 WeakPolarHBondContact O-CG 3.42Å; S677-K681 PolarHBondContact O-N 3.04Å; I678-K681 CarbonylContact O-C 3.59Å; I678-K681 WeakPolarHBondContact O-CA 3.45Å; I678-K681 WeakPolarHBondContact O-CB 3.43Å; I678-K681 PolarHBondContact O-N 2.95Å; H679-K681 VanDerWaalsContact C-N 3.27Å; H679-K681 PolarHBondContact O-N 3.14Å; K681-K684 CarbonylContact O-C 3.59Å; K681-K684 PolarHBondContact O-N 3.27Å; K681-I685 WeakPolarHBondContact O-CB 3.33Å; K681-I685 WeakPolarHBondContact O-CD1 3.44Å; K681-I685 WeakPolarHBondContact O-CG1 3.41Å; K681-I685 PolarHBondContact O-N 3.19Å |
| 682 | E | 78.4 | Confident | 81.4 | Confident | 95 Ų | 95 | 100.4 Ų | 100.4 | 44% | 0.444 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.3 | -42.5 | 178.4 | -72.6 | 166.1 | 154.6 | 0 | 0 | 112 | I678 H679 K684 I685 R686 | I678-E682 HydrophobicContact CG2-CG 4.26Å; I678-E682 WeakPolarHBondContact CG2-OE1 3.4Å; I678-E682 WeakPolarHBondContact CG2-OE2 3.39Å; I678-E682 WeakPolarHBondContact O-CG 3.37Å; I678-E682 PolarHBondContact O-N 3.5Å; H679-E682 PolarHBondContact O-N 3.45Å; H679-E682 VanDerWaalsContact O-N 3.16Å; E682-K684 VanDerWaalsContact C-N 3.32Å; E682-K684 PolarHBondContact O-N 3.11Å; E682-I685 PolarHBondContact O-N 3.33Å; E682-R686 WeakPolarHBondContact O-CB 3.48Å; E682-R686 PolarHBondContact O-N 2.85Å |
| 683 | D | 81.9 | Confident | 81.4 | Confident | 78 Ų | 78 | 103.3 Ų | 103.3 | 42% | 0.417 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.6 | -35.9 | 172.4 | -71 | -31 | 0 | 0 | 0 | 111.5 | H679 R686 L687 | H679-D683 PolarHBondContact O-N 2.81Å; D683-R686 PolarHBondContact O-N 2.83Å; D683-R686 IonicContact OD1-CZ 3.75Å; D683-R686 IonicContact OD1-NH1 2.66Å; D683-R686 PolarHBondContact OD1-NH1 3.34Å; D683-R686 IonicContact OD1-NH2 3.01Å; D683-R686 PolarHBondContact OD1-NH2 2.7Å; D683-L687 WeakPolarHBondContact O-CB 3.36Å; D683-L687 PolarHBondContact O-N 3.5Å |
| 684 | K | 86.9 | Confident | 81.5 | Confident | 140 Ų | 140 | 105 Ų | 105 | 61% | 0.609 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -71.6 | -33.7 | 173.8 | -172.3 | 169.9 | -176.8 | 175.8 | 0 | 112.5 | V680 K681 E682 L688 | V680-K684 WeakPolarHBondContact O-CB 3.48Å; V680-K684 PolarHBondContact O-N 3.35Å; K681-K684 CarbonylContact O-C 3.59Å; K681-K684 PolarHBondContact O-N 3.27Å; E682-K684 VanDerWaalsContact C-N 3.32Å; E682-K684 PolarHBondContact O-N 3.11Å; K684-L688 HydrophobicContact CG-CD1 4.2Å; K684-L688 VanDerWaalsContact O-CB 3.31Å; K684-L688 WeakPolarHBondContact O-CB 3.35Å; K684-L688 WeakPolarHBondContact O-CG 3.45Å; K684-L688 PolarHBondContact O-N 3.48Å |
| 685 | I | 82.1 | Confident | 81.7 | Confident | 88 Ų | 88 | 105.5 Ų | 105.5 | 45% | 0.451 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.4 | -48.9 | 170.9 | -74.9 | 161 | 0 | 0 | 0 | 108.8 | K681 E682 L687 L688 E689 | K681-I685 WeakPolarHBondContact O-CB 3.33Å; K681-I685 WeakPolarHBondContact O-CD1 3.44Å; K681-I685 WeakPolarHBondContact O-CG1 3.41Å; K681-I685 PolarHBondContact O-N 3.19Å; E682-I685 PolarHBondContact O-N 3.33Å; I685-L687 VanDerWaalsContact C-N 3.35Å; I685-L687 PolarHBondContact O-N 3.22Å; I685-L688 CarbonylContact O-C 3.52Å; I685-L688 WeakPolarHBondContact O-CA 3.36Å; I685-L688 PolarHBondContact O-N 2.8Å; I685-E689 HydrophobicContact CG2-CG 4.19Å; I685-E689 WeakPolarHBondContact CG2-OE1 3.27Å; I685-E689 WeakPolarHBondContact O-CB 3.24Å; I685-E689 VanDerWaalsContact O-CG 3.31Å; I685-E689 WeakPolarHBondContact O-CG 3.49Å; I685-E689 PolarHBondContact O-N 2.94Å |
| 686 | R | 84.9 | Confident | 81.9 | Confident | 124 Ų | 124 | 104.4 Ų | 104.4 | 47% | 0.468 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57.1 | -45.3 | 176.7 | -162.1 | -172.9 | -51 | 125 | 19.4 | 112.2 | E682 D683 L688 E689 E690 | E682-R686 WeakPolarHBondContact O-CB 3.48Å; E682-R686 PolarHBondContact O-N 2.85Å; D683-R686 PolarHBondContact O-N 2.83Å; D683-R686 IonicContact OD1-CZ 3.75Å; D683-R686 IonicContact OD1-NH1 2.66Å; D683-R686 PolarHBondContact OD1-NH1 3.34Å; D683-R686 IonicContact OD1-NH2 3.01Å; D683-R686 PolarHBondContact OD1-NH2 2.7Å; R686-L688 PolarHBondContact O-N 3.05Å; R686-E689 WeakPolarHBondContact O-CB 3.42Å; R686-E689 PolarHBondContact O-N 3.44Å; R686-E690 WeakPolarHBondContact O-CB 3.35Å; R686-E690 WeakPolarHBondContact O-CG 3.3Å; R686-E690 PolarHBondContact O-N 2.95Å |
| 687 | L | 83.4 | Confident | 81.9 | Confident | 94 Ų | 94 | 102 Ų | 102 | 49% | 0.492 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.9 | -36.8 | 176.1 | -172.4 | 68.9 | 0 | 0 | 0 | 112.5 | D683 I685 Q691 | D683-L687 WeakPolarHBondContact O-CB 3.36Å; D683-L687 PolarHBondContact O-N 3.5Å; I685-L687 VanDerWaalsContact C-N 3.35Å; I685-L687 PolarHBondContact O-N 3.22Å; L687-Q691 WeakPolarHBondContact O-CB 3.13Å; L687-Q691 VanDerWaalsContact O-CG 3.27Å; L687-Q691 WeakPolarHBondContact O-CG 3.27Å; L687-Q691 PolarHBondContact O-N 3.17Å |
| 688 | L | 85.8 | Confident | 81.9 | Confident | 91 Ų | 91 | 102 Ų | 102 | 48% | 0.476 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70.9 | -31.8 | 173.7 | -75.5 | 169.8 | 0 | 0 | 0 | 112.2 | K684 I685 R686 L692 | K684-L688 HydrophobicContact CG-CD1 4.2Å; K684-L688 VanDerWaalsContact O-CB 3.31Å; K684-L688 WeakPolarHBondContact O-CB 3.35Å; K684-L688 WeakPolarHBondContact O-CG 3.45Å; K684-L688 PolarHBondContact O-N 3.48Å; I685-L688 CarbonylContact O-C 3.52Å; I685-L688 WeakPolarHBondContact O-CA 3.36Å; I685-L688 PolarHBondContact O-N 2.8Å; R686-L688 PolarHBondContact O-N 3.05Å; L688-L692 WeakPolarHBondContact O-CB 3.45Å; L688-L692 PolarHBondContact O-N 2.97Å |
| 689 | E | 79.3 | Confident | 82 | Confident | 107 Ų | 107 | 102.4 Ų | 102.4 | 50% | 0.5 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.6 | -41.7 | 173.3 | -74.2 | 171.3 | 162.8 | 0 | 0 | 111 | I685 R686 L692 Q693 | I685-E689 HydrophobicContact CG2-CG 4.19Å; I685-E689 WeakPolarHBondContact CG2-OE1 3.27Å; I685-E689 WeakPolarHBondContact O-CB 3.24Å; I685-E689 VanDerWaalsContact O-CG 3.31Å; I685-E689 WeakPolarHBondContact O-CG 3.49Å; I685-E689 PolarHBondContact O-N 2.94Å; R686-E689 WeakPolarHBondContact O-CB 3.42Å; R686-E689 PolarHBondContact O-N 3.44Å; E689-L692 PolarHBondContact O-N 2.84Å; E689-Q693 WeakPolarHBondContact O-CB 3.42Å; E689-Q693 WeakPolarHBondContact O-CG 3.21Å; E689-Q693 PolarHBondContact O-N 3.01Å |
| 690 | E | 83.3 | Confident | 81.9 | Confident | 108 Ų | 108 | 104.1 Ų | 104.1 | 51% | 0.505 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 172.2 | -73.9 | 168.8 | -165.3 | 0 | 0 | 111.5 | R686 Q693 H694 | R686-E690 WeakPolarHBondContact O-CB 3.35Å; R686-E690 WeakPolarHBondContact O-CG 3.3Å; R686-E690 PolarHBondContact O-N 2.95Å; E690-Q693 PolarHBondContact O-N 3.33Å; E690-H694 WeakPolarHBondContact O-CB 3.44Å; E690-H694 PolarHBondContact O-N 3.08Å |
| 691 | Q | 83.6 | Confident | 81.7 | Confident | 112 Ų | 112 | 103.8 Ų | 103.8 | 52% | 0.523 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 173.1 | -77.5 | -178.5 | -16.5 | 0 | 0 | 111.8 | L687 H694 E695 | L687-Q691 WeakPolarHBondContact O-CB 3.13Å; L687-Q691 VanDerWaalsContact O-CG 3.27Å; L687-Q691 WeakPolarHBondContact O-CG 3.27Å; L687-Q691 PolarHBondContact O-N 3.17Å; Q691-H694 PolarHBondContact O-N 2.9Å; Q691-E695 WeakPolarHBondContact O-CB 3.32Å; Q691-E695 PolarHBondContact O-N 2.78Å |
| 692 | L | 84 | Confident | 81.6 | Confident | 109 Ų | 109 | 101.3 Ų | 101.3 | 57% | 0.571 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.8 | -36 | 176.4 | -176.1 | 65.6 | 0 | 0 | 0 | 111.4 | L688 E689 V696 | L688-L692 WeakPolarHBondContact O-CB 3.45Å; L688-L692 PolarHBondContact O-N 2.97Å; E689-L692 PolarHBondContact O-N 2.84Å; L692-V696 HydrophobicContact CD1-CG2 4.28Å; L692-V696 HydrophobicContact CG-CG2 4.33Å; L692-V696 WeakPolarHBondContact O-CB 3.44Å; L692-V696 WeakPolarHBondContact O-CG2 3.35Å; L692-V696 PolarHBondContact O-N 2.99Å |
| 693 | Q | 78.8 | Confident | 81.6 | Confident | 145 Ų | 145 | 102.3 Ų | 102.3 | 68% | 0.678 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.6 | -42.7 | 173.2 | -78.2 | -171.4 | 19.2 | 0 | 0 | 111.6 | E689 E690 V696 A697 | E689-Q693 WeakPolarHBondContact O-CB 3.42Å; E689-Q693 WeakPolarHBondContact O-CG 3.21Å; E689-Q693 PolarHBondContact O-N 3.01Å; E690-Q693 PolarHBondContact O-N 3.33Å; Q693-V696 PolarHBondContact O-N 3.48Å; Q693-A697 WeakPolarHBondContact O-CB 3.36Å; Q693-A697 PolarHBondContact O-N 3.31Å |
| 694 | H | 80.1 | Confident | 81.5 | Confident | 142 Ų | 142 | 103.4 Ų | 103.4 | 66% | 0.657 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.3 | -41.4 | 174.5 | -174.8 | -76.9 | 0 | 0 | 0 | 111.6 | E690 Q691 A697 S698 | E690-H694 WeakPolarHBondContact O-CB 3.44Å; E690-H694 PolarHBondContact O-N 3.08Å; Q691-H694 PolarHBondContact O-N 2.9Å; H694-A697 PolarHBondContact O-N 3.5Å; H694-S698 WeakPolarHBondContact O-CB 3.45Å; H694-S698 PolarHBondContact O-N 2.83Å |
| 695 | E | 81.6 | Confident | 81.2 | Confident | 112 Ų | 112 | 100.5 Ų | 100.5 | 52% | 0.523 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.9 | -35.4 | 176.4 | -173.4 | 151.9 | -160.7 | 0 | 0 | 111.8 | Q691 S698 K699 | Q691-E695 WeakPolarHBondContact O-CB 3.32Å; Q691-E695 PolarHBondContact O-N 2.78Å; E695-S698 PolarHBondContact O-N 3.01Å; E695-K699 HydrophobicContact CG-CG 3.98Å; E695-K699 WeakPolarHBondContact O-CA 3.3Å; E695-K699 WeakPolarHBondContact O-CB 3.45Å; E695-K699 WeakPolarHBondContact O-CG 3.33Å; E695-K699 PolarHBondContact O-N 3.36Å |
| 696 | V | 80.5 | Confident | 81.2 | Confident | 82 Ų | 82 | 100 Ų | 100 | 50% | 0.497 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.5 | -39.1 | 170.4 | 165 | 0 | 0 | 0 | 0 | 111 | L692 Q693 M700 | L692-V696 HydrophobicContact CD1-CG2 4.28Å; L692-V696 HydrophobicContact CG-CG2 4.33Å; L692-V696 WeakPolarHBondContact O-CB 3.44Å; L692-V696 WeakPolarHBondContact O-CG2 3.35Å; L692-V696 PolarHBondContact O-N 2.99Å; Q693-V696 PolarHBondContact O-N 3.48Å; V696-M700 WeakPolarHBondContact O-CB 3.4Å; V696-M700 PolarHBondContact O-N 2.95Å |
| 697 | A | 79.6 | Confident | 80.7 | Confident | 59 Ų | 59 | 97 Ų | 97 | 49% | 0.488 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66 | -46 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q693 H694 K699 M700 E701 | Q693-A697 WeakPolarHBondContact O-CB 3.36Å; Q693-A697 PolarHBondContact O-N 3.31Å; H694-A697 PolarHBondContact O-N 3.5Å; A697-K699 PolarHBondContact O-N 2.7Å; A697-M700 PolarHBondContact O-N 3.05Å; A697-E701 PolarHBondContact O-N 2.88Å |
| 698 | S | 82.9 | Confident | 80.4 | Confident | 53 Ų | 53 | 98.2 Ų | 98.2 | 37% | 0.371 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 174.7 | -168.8 | 0 | 0 | 0 | 0 | 111.6 | H694 E695 E701 E702 | H694-S698 WeakPolarHBondContact O-CB 3.45Å; H694-S698 PolarHBondContact O-N 2.83Å; E695-S698 PolarHBondContact O-N 3.01Å; S698-E701 PolarHBondContact O-N 3.32Å; S698-E702 WeakPolarHBondContact O-CB 3.3Å; S698-E702 WeakPolarHBondContact O-CG 3.32Å; S698-E702 PolarHBondContact O-N 3.32Å |
| 699 | K | 82.6 | Confident | 80.2 | Confident | 86 Ų | 86 | 98.6 Ų | 98.6 | 37% | 0.374 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -72.9 | -26.2 | 177.1 | -68.2 | -71 | 169.4 | -130.4 | 0 | 112.4 | E695 A697 E702 L703 | E695-K699 HydrophobicContact CG-CG 3.98Å; E695-K699 WeakPolarHBondContact O-CA 3.3Å; E695-K699 WeakPolarHBondContact O-CB 3.45Å; E695-K699 WeakPolarHBondContact O-CG 3.33Å; E695-K699 PolarHBondContact O-N 3.36Å; A697-K699 PolarHBondContact O-N 2.7Å; K699-E702 IonicContact NZ-OE1 3.57Å; K699-E702 PolarHBondContact NZ-OE1 2.98Å; K699-E702 IonicContact NZ-OE2 3.93Å; K699-E702 PolarHBondContact NZ-OE2 3.23Å; K699-L703 WeakPolarHBondContact O-CB 3.39Å; K699-L703 WeakPolarHBondContact O-CG 3.33Å; K699-L703 PolarHBondContact O-N 2.93Å |
| 700 | M | 77.1 | Confident | 79.9 | Confident | 131 Ų | 131 | 97.8 Ų | 97.8 | 65% | 0.645 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -71.1 | -41.5 | 171.1 | -180 | 175 | -84 | 0 | 0 | 110.9 | V696 A697 L703 K704 | V696-M700 WeakPolarHBondContact O-CB 3.4Å; V696-M700 PolarHBondContact O-N 2.95Å; A697-M700 PolarHBondContact O-N 3.05Å; M700-L703 PolarHBondContact O-N 3.03Å; M700-K704 WeakPolarHBondContact O-CB 3.3Å; M700-K704 PolarHBondContact O-N 3.24Å |
| 701 | E | 78.8 | Confident | 79.5 | Confident | 95 Ų | 95 | 99.7 Ų | 99.7 | 44% | 0.444 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -72 | -39 | 174.6 | -161 | 63.8 | -159.1 | 0 | 0 | 111.4 | A697 S698 L703 K704 I705 | A697-E701 PolarHBondContact O-N 2.88Å; S698-E701 PolarHBondContact O-N 3.32Å; E701-L703 PolarHBondContact O-N 3.01Å; E701-K704 VanDerWaalsContact CD-NZ 3.31Å; E701-K704 WeakPolarHBondContact O-CB 3.48Å; E701-K704 PolarHBondContact O-N 2.77Å; E701-K704 IonicContact OE1-NZ 2.96Å; E701-K704 PolarHBondContact OE1-NZ 2.94Å; E701-K704 IonicContact OE2-NZ 2.67Å; E701-K704 PolarHBondContact OE2-NZ 2.79Å; E701-I705 WeakPolarHBondContact O-CG1 3.36Å; E701-I705 PolarHBondContact O-N 3.37Å |
| 702 | E | 78.6 | Confident | 78.8 | Confident | 76 Ų | 76 | 97 Ų | 97 | 36% | 0.355 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.5 | -40.8 | 167.9 | -76.6 | 176.7 | -141.1 | 0 | 0 | 111.9 | S698 K699 K704 I705 L706 | S698-E702 WeakPolarHBondContact O-CB 3.3Å; S698-E702 WeakPolarHBondContact O-CG 3.32Å; S698-E702 PolarHBondContact O-N 3.32Å; K699-E702 IonicContact NZ-OE1 3.57Å; K699-E702 PolarHBondContact NZ-OE1 2.98Å; K699-E702 IonicContact NZ-OE2 3.93Å; K699-E702 PolarHBondContact NZ-OE2 3.23Å; E702-K704 VanDerWaalsContact C-N 3.29Å; E702-K704 PolarHBondContact O-N 3.44Å; E702-I705 PolarHBondContact O-N 2.85Å; E702-L706 WeakPolarHBondContact O-CB 3.39Å; E702-L706 VanDerWaalsContact O-CG 3.26Å; E702-L706 WeakPolarHBondContact O-CG 3.41Å; E702-L706 PolarHBondContact O-N 2.86Å |
| 703 | L | 78.7 | Confident | 78.3 | Confident | 117 Ų | 117 | 95.7 Ų | 95.7 | 61% | 0.613 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.7 | -30.4 | 175.5 | -87.5 | 168.5 | 0 | 0 | 0 | 112.3 | K699 M700 E701 L706 S707 | K699-L703 WeakPolarHBondContact O-CB 3.39Å; K699-L703 WeakPolarHBondContact O-CG 3.33Å; K699-L703 PolarHBondContact O-N 2.93Å; M700-L703 PolarHBondContact O-N 3.03Å; E701-L703 PolarHBondContact O-N 3.01Å; L703-L706 CarbonylContact O-C 3.6Å; L703-S707 WeakPolarHBondContact O-CA 3.41Å; L703-S707 WeakPolarHBondContact O-CB 3.44Å; L703-S707 PolarHBondContact O-N 2.92Å |
| 704 | K | 78.8 | Confident | 77.9 | Confident | 101 Ų | 101 | 95.3 Ų | 95.3 | 44% | 0.439 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -71.5 | -46.5 | 174.7 | -176.8 | 171 | 153.1 | -134.8 | 0 | 110.7 | M700 E701 E702 L706 S707 E708 | M700-K704 WeakPolarHBondContact O-CB 3.3Å; M700-K704 PolarHBondContact O-N 3.24Å; E701-K704 VanDerWaalsContact CD-NZ 3.31Å; E701-K704 WeakPolarHBondContact O-CB 3.48Å; E701-K704 PolarHBondContact O-N 2.77Å; E701-K704 IonicContact OE1-NZ 2.96Å; E701-K704 PolarHBondContact OE1-NZ 2.94Å; E701-K704 IonicContact OE2-NZ 2.67Å; E701-K704 PolarHBondContact OE2-NZ 2.79Å; E702-K704 VanDerWaalsContact C-N 3.29Å; E702-K704 PolarHBondContact O-N 3.44Å; K704-L706 PolarHBondContact O-N 3.24Å; K704-S707 WeakPolarHBondContact O-CB 3.28Å; K704-S707 PolarHBondContact O-N 3.36Å; K704-S707 VanDerWaalsContact O-N 3.14Å; K704-E708 WeakPolarHBondContact O-CG 3.28Å; K704-E708 PolarHBondContact O-N 3.35Å |
| 705 | I | 80.4 | Confident | 77.1 | Confident | 79 Ų | 79 | 91.2 Ų | 91.2 | 41% | 0.405 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 171 | -65.3 | 164.7 | 0 | 0 | 0 | 110.7 | E701 E702 S707 E708 Q709 | E701-I705 WeakPolarHBondContact O-CG1 3.36Å; E701-I705 PolarHBondContact O-N 3.37Å; E702-I705 PolarHBondContact O-N 2.85Å; I705-S707 VanDerWaalsContact C-N 3.3Å; I705-S707 PolarHBondContact O-N 3.31Å; I705-E708 PolarHBondContact O-N 2.82Å; I705-Q709 HydrophobicContact CG2-CG 4.46Å; I705-Q709 WeakPolarHBondContact O-CB 3.41Å; I705-Q709 VanDerWaalsContact O-CG 3.29Å; I705-Q709 WeakPolarHBondContact O-CG 3.29Å; I705-Q709 PolarHBondContact O-N 3.07Å |
| 706 | L | 81.9 | Confident | 76.4 | Confident | 76 Ų | 76 | 90.5 Ų | 90.5 | 40% | 0.398 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69.7 | -22.6 | 176.1 | -76.8 | 167.3 | 0 | 0 | 0 | 112.9 | E702 L703 K704 N710 | E702-L706 WeakPolarHBondContact O-CB 3.39Å; E702-L706 VanDerWaalsContact O-CG 3.26Å; E702-L706 WeakPolarHBondContact O-CG 3.41Å; E702-L706 PolarHBondContact O-N 2.86Å; L703-L706 CarbonylContact O-C 3.6Å; K704-L706 PolarHBondContact O-N 3.24Å; L706-N710 WeakPolarHBondContact O-CA 3.39Å; L706-N710 WeakPolarHBondContact O-CB 3.42Å; L706-N710 PolarHBondContact O-N 3.35Å; L706-N710 PolarHBondContact O-ND2 3.09Å |
| 707 | S | 74.8 | Confident | 75.5 | Confident | 61 Ų | 61 | 90 Ų | 90 | 43% | 0.427 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -76.9 | -39.6 | 172.6 | 179 | 0 | 0 | 0 | 0 | 110.9 | L703 K704 I705 N710 K711 | L703-S707 WeakPolarHBondContact O-CA 3.41Å; L703-S707 WeakPolarHBondContact O-CB 3.44Å; L703-S707 PolarHBondContact O-N 2.92Å; K704-S707 WeakPolarHBondContact O-CB 3.28Å; K704-S707 PolarHBondContact O-N 3.36Å; K704-S707 VanDerWaalsContact O-N 3.14Å; I705-S707 VanDerWaalsContact C-N 3.3Å; I705-S707 PolarHBondContact O-N 3.31Å; S707-N710 PolarHBondContact O-N 3.49Å; S707-K711 PolarHBondContact O-N 2.96Å |
| 708 | E | 78.2 | Confident | 74.5 | Confident | 121 Ų | 121 | 94.7 Ų | 94.7 | 57% | 0.565 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67 | -43 | 172 | -70.2 | 170.5 | -177.6 | 0 | 0 | 111 | K704 I705 K711 A712 | K704-E708 WeakPolarHBondContact O-CG 3.28Å; K704-E708 PolarHBondContact O-N 3.35Å; I705-E708 PolarHBondContact O-N 2.82Å; E708-K711 PolarHBondContact O-N 3.23Å; E708-A712 PolarHBondContact O-N 3.01Å |
| 709 | Q | 80.4 | Confident | 73.1 | Confident | 99 Ų | 99 | 98.7 Ų | 98.7 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.9 | -35.1 | 170.9 | -70.3 | 176.4 | 1 | 0 | 0 | 112.5 | I705 A712 L713 | I705-Q709 HydrophobicContact CG2-CG 4.46Å; I705-Q709 WeakPolarHBondContact O-CB 3.41Å; I705-Q709 VanDerWaalsContact O-CG 3.29Å; I705-Q709 WeakPolarHBondContact O-CG 3.29Å; I705-Q709 PolarHBondContact O-N 3.07Å; Q709-A712 CarbonylContact O-C 3.58Å; Q709-A712 PolarHBondContact O-N 2.83Å; Q709-L713 VanDerWaalsContact O-CB 3.28Å; Q709-L713 WeakPolarHBondContact O-CB 3.45Å; Q709-L713 WeakPolarHBondContact O-CG 3.36Å; Q709-L713 PolarHBondContact O-N 3.13Å |
| 710 | N | 72.6 | Confident | 71.7 | Confident | 89 Ų | 89 | 99.9 Ų | 99.9 | 48% | 0.476 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70.9 | -29 | 173.2 | -92.8 | -62.3 | 0 | 0 | 0 | 112.4 | L706 S707 Q714 | L706-N710 WeakPolarHBondContact O-CA 3.39Å; L706-N710 WeakPolarHBondContact O-CB 3.42Å; L706-N710 PolarHBondContact O-N 3.35Å; L706-N710 PolarHBondContact O-ND2 3.09Å; S707-N710 PolarHBondContact O-N 3.49Å; N710-Q714 WeakPolarHBondContact O-CB 3.49Å; N710-Q714 VanDerWaalsContact O-CG 3.26Å; N710-Q714 WeakPolarHBondContact O-CG 3.33Å; N710-Q714 PolarHBondContact O-N 3.5Å |
| 711 | K | 75.2 | Confident | 70.1 | Confident | 149 Ų | 149 | 101.2 Ų | 101.2 | 65% | 0.648 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.7 | -43.1 | 167.5 | -79.8 | 177.1 | 176.2 | 174.3 | 0 | 111.1 | S707 E708 S715 | S707-K711 PolarHBondContact O-N 2.96Å; E708-K711 PolarHBondContact O-N 3.23Å; K711-S715 PolarHBondContact O-N 2.84Å |
| 712 | A | 70.1 | Confident | 68.5 | Low | 55 Ų | 55 | 102.3 Ų | 102.3 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.5 | -47.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | E708 Q709 S715 E716 | E708-A712 PolarHBondContact O-N 3.01Å; Q709-A712 CarbonylContact O-C 3.58Å; Q709-A712 PolarHBondContact O-N 2.83Å; A712-S715 WeakPolarHBondContact O-CA 3.46Å; A712-S715 WeakPolarHBondContact O-CB 3.37Å; A712-S715 PolarHBondContact O-N 2.97Å; A712-S715 VanDerWaalsContact O-N 3.14Å; A712-S715 PolarHBondContact O-OG 2.86Å; A712-E716 PolarHBondContact O-N 3.38Å |
| 713 | L | 73.2 | Confident | 67 | Low | 82 Ų | 82 | 101.8 Ų | 101.8 | 43% | 0.429 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -71.5 | -31.1 | 179 | -74.2 | 169.2 | 0 | 0 | 0 | 112.7 | Q709 S715 E716 V717 | Q709-L713 VanDerWaalsContact O-CB 3.28Å; Q709-L713 WeakPolarHBondContact O-CB 3.45Å; Q709-L713 WeakPolarHBondContact O-CG 3.36Å; Q709-L713 PolarHBondContact O-N 3.13Å; L713-S715 VanDerWaalsContact C-N 3.26Å; L713-S715 PolarHBondContact O-N 3.25Å; L713-E716 CarbonylContact O-C 3.47Å; L713-E716 PolarHBondContact O-N 3.13Å; L713-V717 WeakPolarHBondContact O-CB 3.43Å; L713-V717 WeakPolarHBondContact O-CG2 3.43Å; L713-V717 PolarHBondContact O-N 2.93Å |
| 714 | Q | 69.1 | Low | 65.2 | Low | 137 Ų | 137 | 102.3 Ų | 102.3 | 64% | 0.64 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.9 | -39.4 | 168 | -85.7 | -176.5 | -21.4 | 0 | 0 | 110.4 | N710 E716 Q718 | N710-Q714 WeakPolarHBondContact O-CB 3.49Å; N710-Q714 VanDerWaalsContact O-CG 3.26Å; N710-Q714 WeakPolarHBondContact O-CG 3.33Å; N710-Q714 PolarHBondContact O-N 3.5Å; Q714-E716 PolarHBondContact O-N 3.08Å; Q714-Q718 WeakPolarHBondContact O-CB 3.48Å; Q714-Q718 PolarHBondContact O-N 3.5Å |
| 715 | S | 63.6 | Low | 63.4 | Low | 55 Ų | 55 | 103.1 Ų | 103.1 | 39% | 0.385 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.3 | -10.4 | 174.3 | 90.8 | 0 | 0 | 0 | 0 | 114.3 | K711 A712 L713 K719 | K711-S715 PolarHBondContact O-N 2.84Å; A712-S715 WeakPolarHBondContact O-CA 3.46Å; A712-S715 WeakPolarHBondContact O-CB 3.37Å; A712-S715 PolarHBondContact O-N 2.97Å; A712-S715 VanDerWaalsContact O-N 3.14Å; A712-S715 PolarHBondContact O-OG 2.86Å; L713-S715 VanDerWaalsContact C-N 3.26Å; L713-S715 PolarHBondContact O-N 3.25Å; S715-K719 WeakPolarHBondContact O-CD 3.31Å; S715-K719 WeakPolarHBondContact O-CE 3.41Å; S715-K719 WeakPolarHBondContact O-CG 3.27Å; S715-K719 PolarHBondContact O-NZ 3.18Å |
| 716 | E | 67.3 | Low | 61.4 | Low | 97 Ų | 97 | 108.1 Ų | 108.1 | 45% | 0.453 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -111.1 | -37 | -178 | -166.8 | 161 | -139.7 | 0 | 0 | 112.6 | A712 L713 Q714 Q718 K719 L720 | A712-E716 PolarHBondContact O-N 3.38Å; L713-E716 CarbonylContact O-C 3.47Å; L713-E716 PolarHBondContact O-N 3.13Å; Q714-E716 PolarHBondContact O-N 3.08Å; E716-Q718 VanDerWaalsContact C-N 3.29Å; E716-K719 CarbonylContact O-C 3.6Å; E716-K719 WeakPolarHBondContact O-CA 3.38Å; E716-K719 VanDerWaalsContact O-CB 3.3Å; E716-K719 WeakPolarHBondContact O-CB 3.44Å; E716-K719 PolarHBondContact O-N 2.82Å; E716-L720 HydrophobicContact CG-CD1 4.17Å; E716-L720 WeakPolarHBondContact O-CB 3.4Å; E716-L720 WeakPolarHBondContact O-CG 3.44Å; E716-L720 PolarHBondContact O-N 2.9Å |
| 717 | V | 61.8 | Low | 59.2 | Low | 73 Ų | 73 | 113.1 Ų | 113.1 | 44% | 0.442 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63.3 | -36.6 | 164.5 | 173.7 | 0 | 0 | 0 | 0 | 109.9 | L713 K719 L720 Q721 | L713-V717 WeakPolarHBondContact O-CB 3.43Å; L713-V717 WeakPolarHBondContact O-CG2 3.43Å; L713-V717 PolarHBondContact O-N 2.93Å; V717-K719 PolarHBondContact O-N 3.48Å; V717-K719 VanDerWaalsContact O-N 3.16Å; V717-L720 PolarHBondContact O-N 2.98Å; V717-L720 VanDerWaalsContact O-N 3.16Å; V717-Q721 HydrophobicContact CG1-CB 4.37Å; V717-Q721 WeakPolarHBondContact O-CB 3.43Å; V717-Q721 PolarHBondContact O-N 2.96Å |
| 718 | Q | 57.8 | Low | 57.9 | Low | 156 Ų | 156 | 115.3 Ų | 115.3 | 73% | 0.729 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.2 | -16.4 | 169.6 | -164.3 | 174.3 | 28.5 | 0 | 0 | 113.1 | Q714 E716 T722 | Q714-Q718 WeakPolarHBondContact O-CB 3.48Å; Q714-Q718 PolarHBondContact O-N 3.5Å; E716-Q718 VanDerWaalsContact C-N 3.29Å; Q718-T722 PolarHBondContact O-OG1 2.98Å |
| 719 | K | 54.1 | Low | 55.9 | Low | 138 Ų | 138 | 116.4 Ų | 116.4 | 60% | 0.6 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -93.4 | -32.6 | 170.4 | -61.4 | 166.8 | -173.6 | 152 | 0 | 112.9 | S715 E716 V717 T722 | S715-K719 WeakPolarHBondContact O-CD 3.31Å; S715-K719 WeakPolarHBondContact O-CE 3.41Å; S715-K719 WeakPolarHBondContact O-CG 3.27Å; S715-K719 PolarHBondContact O-NZ 3.18Å; E716-K719 CarbonylContact O-C 3.6Å; E716-K719 WeakPolarHBondContact O-CA 3.38Å; E716-K719 VanDerWaalsContact O-CB 3.3Å; E716-K719 WeakPolarHBondContact O-CB 3.44Å; E716-K719 PolarHBondContact O-N 2.82Å; V717-K719 PolarHBondContact O-N 3.48Å; V717-K719 VanDerWaalsContact O-N 3.16Å; K719-T722 WeakPolarHBondContact O-CB 3.48Å; K719-T722 PolarHBondContact O-OG1 3.32Å |
| 720 | L | 52.8 | Low | 54.2 | Low | 110 Ų | 110 | 118.7 Ų | 118.7 | 58% | 0.576 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -93.6 | -23.9 | -174.7 | -69.1 | 171.9 | 0 | 0 | 0 | 114.2 | E716 V717 T722 A723 | E716-L720 HydrophobicContact CG-CD1 4.17Å; E716-L720 WeakPolarHBondContact O-CB 3.4Å; E716-L720 WeakPolarHBondContact O-CG 3.44Å; E716-L720 PolarHBondContact O-N 2.9Å; V717-L720 PolarHBondContact O-N 2.98Å; V717-L720 VanDerWaalsContact O-N 3.16Å; L720-T722 PolarHBondContact O-N 3.04Å; L720-A723 WeakPolarHBondContact O-CA 3.48Å; L720-A723 VanDerWaalsContact O-CB 3.26Å; L720-A723 WeakPolarHBondContact O-CB 3.32Å; L720-A723 PolarHBondContact O-N 2.78Å |
| 721 | Q | 43.1 | Very low | 53.1 | Low | 160 Ų | 160 | 121.3 Ų | 121.3 | 75% | 0.748 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -14.8 | 170.3 | -167.5 | 163.4 | 0.9 | 0 | 0 | 111.7 | V717 A723 | V717-Q721 HydrophobicContact CG1-CB 4.37Å; V717-Q721 WeakPolarHBondContact O-CB 3.43Å; V717-Q721 PolarHBondContact O-N 2.96Å; Q721-A723 VanDerWaalsContact C-N 3.3Å |
| 722 | T | 45.6 | Very low | 51.9 | Low | 118 Ų | 118 | 119.8 Ų | 119.8 | 72% | 0.724 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -17.6 | 164.7 | -35.6 | 0 | 0 | 0 | 0 | 112.9 | Q718 K719 L720 | Q718-T722 PolarHBondContact O-OG1 2.98Å; K719-T722 WeakPolarHBondContact O-CB 3.48Å; K719-T722 PolarHBondContact O-OG1 3.32Å; L720-T722 PolarHBondContact O-N 3.04Å |
| 723 | A | 47 | Very low | 51.2 | Low | 65 Ų | 65 | 121.1 Ų | 121.1 | 54% | 0.537 | 65% | 0.65 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.2 | -57.7 | -164.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L720 Q721 | L720-A723 WeakPolarHBondContact O-CA 3.48Å; L720-A723 VanDerWaalsContact O-CB 3.26Å; L720-A723 WeakPolarHBondContact O-CB 3.32Å; L720-A723 PolarHBondContact O-N 2.78Å; Q721-A723 VanDerWaalsContact C-N 3.3Å |
| 724 | V | 40.8 | Very low | 50.3 | Low | 127 Ų | 127 | 125 Ų | 125 | 77% | 0.77 | 67% | 0.666 | S | S | * | * | trans | -145.9 | 101.2 | -166 | -169.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 725 | S | 42.4 | Very low | 49.4 | Very low | 118 Ų | 118 | 126.4 Ų | 126.4 | 83% | 0.825 | 67% | 0.673 | S | S | * | * | trans | -130.6 | 65.6 | 165.9 | 175.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 726 | Q | 36.8 | Very low | 49 | Very low | 185 Ų | 185 | 129.1 Ų | 129.1 | 86% | 0.864 | 68% | 0.681 | S | S | * | * | trans | -137.6 | 94.5 | 173.5 | -69.9 | -166.5 | -1.4 | 0 | 0 | 113.3 | ||||
| 727 | Q | 36.3 | Very low | 48.4 | Very low | 180 Ų | 180 | 130.8 Ų | 130.8 | 84% | 0.841 | 69% | 0.689 | S | S | * | * | trans | 41.4 | 147.3 | 145.2 | -81 | -164.6 | -26.2 | 0 | 0 | 125.6 | ||||
| 728 | P | 47.4 | Very low | 48 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 70% | 0.701 | 70% | 0.703 | S | S | * | * | trans | -102.1 | 169.1 | 165.8 | 41.5 | -33.9 | 0 | 0 | 0 | 113.6 | ||||
| 729 | N | 35.6 | Very low | 48 | Very low | 143 Ų | 143 | 131.2 Ų | 131.2 | 77% | 0.765 | 69% | 0.69 | S | S | * | * | trans | -154 | 154.7 | 165.6 | -84.2 | -67.2 | 0 | 0 | 0 | 109.5 | ||||
| 730 | K | 44.8 | Very low | 48.5 | Very low | 147 Ų | 147 | 128.7 Ų | 128.7 | 64% | 0.639 | 68% | 0.682 | S | S | * | * | cis | -164.6 | -40.5 | -23.9 | 178.7 | 175.1 | 175.3 | -173.5 | 0 | 111.7 | V732 | K730-V732 PolarHBondContact O-N 3.44Š| ||
| 731 | D | 49.9 | Very low | 48.9 | Very low | 144 Ų | 144 | 130.1 Ų | 130.1 | 77% | 0.77 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | 9.1 | -154.9 | -56.3 | -22.9 | 0 | 0 | 0 | 118.5 | V733 | D731-V733 VanDerWaalsContact C-N 3.33Š|
| 732 | V | 51.3 | Low | 49.7 | Very low | 118 Ų | 118 | 128.4 Ų | 128.4 | 72% | 0.715 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -24 | 175.2 | -179.4 | 0 | 0 | 0 | 0 | 112.1 | K730 E734 | K730-V732 PolarHBondContact O-N 3.44Å; V732-E734 PolarHBondContact O-N 2.9Å |
| 733 | V | 54.6 | Low | 50.6 | Low | 82 Ų | 82 | 129.3 Ų | 129.3 | 50% | 0.497 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -65.5 | -38.2 | -173 | -178.6 | 0 | 0 | 0 | 0 | 112.6 | D731 Q735 M736 E737 | D731-V733 VanDerWaalsContact C-N 3.33Å; V733-Q735 PolarHBondContact O-N 2.88Å; V733-M736 VanDerWaalsContact O-CB 3.31Å; V733-M736 WeakPolarHBondContact O-CB 3.47Å; V733-M736 PolarHBondContact O-N 3.15Å; V733-M736 VanDerWaalsContact O-N 3.08Å; V733-E737 PolarHBondContact O-N 3.24Å |
| 734 | E | 54.3 | Low | 51.6 | Low | 163 Ų | 163 | 129.6 Ų | 129.6 | 76% | 0.762 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -77.2 | -21.1 | -171.4 | -154.3 | 166.1 | -156.4 | 0 | 0 | 113.1 | V732 | V732-E734 PolarHBondContact O-N 2.9Å |
| 735 | Q | 51 | Low | 52.9 | Low | 167 Ų | 167 | 129.3 Ų | 129.3 | 78% | 0.78 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -76.5 | -28.1 | 166.5 | -77.3 | -166.3 | -7.4 | 0 | 0 | 112.9 | V733 | V733-Q735 PolarHBondContact O-N 2.88Å |
| 736 | M | 53.7 | Low | 54.1 | Low | 112 Ų | 112 | 129.1 Ų | 129.1 | 55% | 0.552 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -70.4 | -38 | -176.5 | -164.5 | 163.6 | 63.6 | 0 | 0 | 111.3 | V733 K738 C739 I740 | V733-M736 VanDerWaalsContact O-CB 3.31Å; V733-M736 WeakPolarHBondContact O-CB 3.47Å; V733-M736 PolarHBondContact O-N 3.15Å; V733-M736 VanDerWaalsContact O-N 3.08Å; M736-K738 VanDerWaalsContact C-N 3.32Å; M736-K738 PolarHBondContact O-N 2.93Å; M736-C739 WeakPolarHBondContact O-CB 3.35Å; M736-C739 PolarHBondContact O-N 3.36Å; M736-C739 VanDerWaalsContact O-N 3.09Å; M736-I740 HydrophobicContact CG-CD1 4.32Å; M736-I740 WeakPolarHBondContact O-CG1 3.33Å; M736-I740 PolarHBondContact O-N 3.43Å; M736-I740 VanDerWaalsContact O-N 3.16Å |
| 737 | E | 54.6 | Low | 55.7 | Low | 133 Ų | 133 | 124.5 Ų | 124.5 | 62% | 0.621 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -62.4 | -35.9 | -177.7 | -157.9 | 153.4 | -148.6 | 0 | 0 | 113 | V733 I740 | V733-E737 PolarHBondContact O-N 3.24Å; E737-I740 PolarHBondContact O-N 3.01Å |
| 738 | K | 54.7 | Low | 57.4 | Low | 171 Ų | 171 | 122.2 Ų | 122.2 | 74% | 0.743 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -76 | -23.2 | 175.8 | -159.6 | 171.1 | -174.6 | 175.7 | 0 | 113.8 | M736 | M736-K738 VanDerWaalsContact C-N 3.32Å; M736-K738 PolarHBondContact O-N 2.93Å |
| 739 | C | 57.7 | Low | 58.5 | Low | 67 Ų | 67 | 120.8 Ų | 120.8 | 45% | 0.453 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -79.4 | -24.5 | 174.9 | -173.6 | 0 | 0 | 0 | 0 | 112.3 | M736 K743 | M736-C739 WeakPolarHBondContact O-CB 3.35Å; M736-C739 PolarHBondContact O-N 3.36Å; M736-C739 VanDerWaalsContact O-N 3.09Å; C739-K743 WeakPolarHBondContact O-CG 3.26Å |
| 740 | I | 64.4 | Low | 60.2 | Low | 85 Ų | 85 | 117.4 Ų | 117.4 | 44% | 0.436 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -70.6 | -52.6 | 178.9 | -71.3 | 164 | 0 | 0 | 0 | 110.5 | M736 E737 E742 K743 D744 | M736-I740 HydrophobicContact CG-CD1 4.32Å; M736-I740 WeakPolarHBondContact O-CG1 3.33Å; M736-I740 PolarHBondContact O-N 3.43Å; M736-I740 VanDerWaalsContact O-N 3.16Å; E737-I740 PolarHBondContact O-N 3.01Å; I740-E742 VanDerWaalsContact C-N 3.31Å; I740-E742 PolarHBondContact O-N 2.73Å; I740-K743 CarbonylContact O-C 3.56Å; I740-K743 WeakPolarHBondContact O-CA 3.42Å; I740-K743 WeakPolarHBondContact O-CB 3.4Å; I740-K743 PolarHBondContact O-N 3.29Å; I740-D744 WeakPolarHBondContact CG2-OD2 3.49Å; I740-D744 VanDerWaalsContact O-CG 3.29Å; I740-D744 PolarHBondContact O-N 2.9Å |
| 741 | Q | 60.2 | Low | 61.6 | Low | 139 Ų | 139 | 115.2 Ų | 115.2 | 65% | 0.65 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -57.3 | -39.1 | -178.3 | -71.3 | 179.1 | -26.2 | 0 | 0 | 113.8 | K743 D744 | Q741-K743 PolarHBondContact O-N 3.41Å; Q741-D744 PolarHBondContact O-N 3.48Å |
| 742 | E | 60.5 | Low | 62.6 | Low | 125 Ų | 125 | 114 Ų | 114 | 58% | 0.584 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -77.3 | -10.1 | 178.8 | -148.1 | -160 | -115.8 | 0 | 0 | 113.6 | I740 K746 | I740-E742 VanDerWaalsContact C-N 3.31Å; I740-E742 PolarHBondContact O-N 2.73Å; E742-K746 PolarHBondContact O-NZ 3.05Å; E742-K746 VanDerWaalsContact O-NZ 3.16Å; E742-K746 IonicContact OE2-NZ 2.67Å; E742-K746 PolarHBondContact OE2-NZ 2.89Å |
| 743 | K | 65.7 | Low | 63.5 | Low | 136 Ų | 136 | 114.5 Ų | 114.5 | 59% | 0.591 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -90.6 | -35.2 | 167.6 | -78.1 | -175.6 | 175.7 | -178.7 | 0 | 111.9 | C739 I740 Q741 E745 K746 L747 | C739-K743 WeakPolarHBondContact O-CG 3.26Å; I740-K743 CarbonylContact O-C 3.56Å; I740-K743 WeakPolarHBondContact O-CA 3.42Å; I740-K743 WeakPolarHBondContact O-CB 3.4Å; I740-K743 PolarHBondContact O-N 3.29Å; Q741-K743 PolarHBondContact O-N 3.41Å; K743-E745 VanDerWaalsContact C-N 3.29Å; K743-E745 PolarHBondContact O-N 3.49Å; K743-K746 CarbonylContact O-C 3.58Å; K743-K746 PolarHBondContact O-N 3.19Å; K743-K746 VanDerWaalsContact O-N 3.1Å; K743-L747 WeakPolarHBondContact O-CB 3.49Å; K743-L747 PolarHBondContact O-N 3.04Å |
| 744 | D | 66.3 | Low | 64.4 | Low | 71 Ų | 71 | 115.3 Ų | 115.3 | 38% | 0.38 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.7 | -32.4 | -178.5 | -61.5 | -27.1 | 0 | 0 | 0 | 112.9 | I740 Q741 L747 R748 | I740-D744 WeakPolarHBondContact CG2-OD2 3.49Å; I740-D744 VanDerWaalsContact O-CG 3.29Å; I740-D744 PolarHBondContact O-N 2.9Å; Q741-D744 PolarHBondContact O-N 3.48Å; D744-L747 PolarHBondContact O-N 2.71Å; D744-R748 PolarHBondContact O-N 2.89Å |
| 745 | E | 68.8 | Low | 65.3 | Low | 122 Ų | 122 | 113.6 Ų | 113.6 | 57% | 0.57 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -74.3 | -32.5 | 174.3 | -61.8 | -171 | 143 | 0 | 0 | 113.3 | K743 T749 | K743-E745 VanDerWaalsContact C-N 3.29Å; K743-E745 PolarHBondContact O-N 3.49Å; E745-T749 PolarHBondContact O-N 3.42Å; E745-T749 PolarHBondContact O-OG1 3.15Å; E745-T749 VanDerWaalsContact O-OG1 3.08Å |
| 746 | K | 66.9 | Low | 66.3 | Low | 113 Ų | 113 | 109.5 Ų | 109.5 | 49% | 0.491 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -75.8 | -30.3 | 172.4 | -66.5 | 174.1 | -171.6 | 124.9 | 0 | 111.2 | E742 K743 T749 V750 | E742-K746 PolarHBondContact O-NZ 3.05Å; E742-K746 VanDerWaalsContact O-NZ 3.16Å; E742-K746 IonicContact OE2-NZ 2.67Å; E742-K746 PolarHBondContact OE2-NZ 2.89Å; K743-K746 CarbonylContact O-C 3.58Å; K743-K746 PolarHBondContact O-N 3.19Å; K743-K746 VanDerWaalsContact O-N 3.1Å; K746-T749 PolarHBondContact O-OG1 3.05Å; K746-V750 WeakPolarHBondContact O-CB 3.13Å; K746-V750 VanDerWaalsContact O-CG2 3.28Å; K746-V750 WeakPolarHBondContact O-CG2 3.47Å; K746-V750 PolarHBondContact O-N 2.91Å; K746-V750 VanDerWaalsContact O-N 3.11Å |
| 747 | L | 71.6 | Confident | 67.4 | Low | 89 Ų | 89 | 105.6 Ų | 105.6 | 47% | 0.466 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65 | -48.7 | 173.1 | -166.2 | 71.7 | 0 | 0 | 0 | 109.4 | K743 D744 T749 V750 E751 | K743-L747 WeakPolarHBondContact O-CB 3.49Å; K743-L747 PolarHBondContact O-N 3.04Å; D744-L747 PolarHBondContact O-N 2.71Å; L747-T749 VanDerWaalsContact C-N 3.32Å; L747-T749 PolarHBondContact O-N 2.8Å; L747-V750 CarbonylContact O-C 3.57Å; L747-V750 WeakPolarHBondContact O-CA 3.16Å; L747-V750 WeakPolarHBondContact O-CB 3.31Å; L747-V750 PolarHBondContact O-N 3.37Å; L747-E751 HydrophobicContact CG-CG 4.36Å; L747-E751 WeakPolarHBondContact O-CB 3.26Å; L747-E751 WeakPolarHBondContact O-CG 3.46Å; L747-E751 PolarHBondContact O-N 3.31Å |
| 748 | R | 72.6 | Confident | 68.4 | Low | 131 Ų | 131 | 104.8 Ų | 104.8 | 49% | 0.494 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -55.9 | -41.3 | 178.2 | -161.5 | -177.7 | -54.5 | 122.9 | 9.5 | 113.9 | D744 E751 E752 | D744-R748 PolarHBondContact O-N 2.89Å; R748-E751 WeakPolarHBondContact CA-OE2 3.38Å; R748-E751 PolarHBondContact O-N 3.42Å; R748-E752 WeakPolarHBondContact O-CG 3.31Å; R748-E752 PolarHBondContact O-N 2.84Å |
| 749 | T | 70.2 | Confident | 69.3 | Low | 78 Ų | 78 | 101.7 Ų | 101.7 | 48% | 0.479 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -75.5 | -25.6 | 176.5 | 38.4 | 0 | 0 | 0 | 0 | 113.3 | E745 K746 L747 L753 | E745-T749 PolarHBondContact O-N 3.42Å; E745-T749 PolarHBondContact O-OG1 3.15Å; E745-T749 VanDerWaalsContact O-OG1 3.08Å; K746-T749 PolarHBondContact O-OG1 3.05Å; L747-T749 VanDerWaalsContact C-N 3.32Å; L747-T749 PolarHBondContact O-N 2.8Å; T749-L753 WeakPolarHBondContact O-CG 3.16Å; T749-L753 PolarHBondContact O-N 3.17Å |
| 750 | V | 70.9 | Confident | 70.1 | Confident | 73 Ų | 73 | 103.3 Ų | 103.3 | 44% | 0.442 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -75.9 | -34.9 | 168.8 | 168.2 | 0 | 0 | 0 | 0 | 111.1 | K746 L747 L753 L754 | K746-V750 WeakPolarHBondContact O-CB 3.13Å; K746-V750 VanDerWaalsContact O-CG2 3.28Å; K746-V750 WeakPolarHBondContact O-CG2 3.47Å; K746-V750 PolarHBondContact O-N 2.91Å; K746-V750 VanDerWaalsContact O-N 3.11Å; L747-V750 CarbonylContact O-C 3.57Å; L747-V750 WeakPolarHBondContact O-CA 3.16Å; L747-V750 WeakPolarHBondContact O-CB 3.31Å; L747-V750 PolarHBondContact O-N 3.37Å; V750-L753 PolarHBondContact O-N 3.46Å; V750-L754 HydrophobicContact CG1-CD1 3.74Å; V750-L754 HydrophobicContact CG1-CG 4.15Å; V750-L754 VanDerWaalsContact O-CB 3.29Å; V750-L754 WeakPolarHBondContact O-CB 3.49Å; V750-L754 VanDerWaalsContact O-CG 3.25Å; V750-L754 WeakPolarHBondContact O-CG 3.39Å; V750-L754 PolarHBondContact O-N 3.48Å |
| 751 | E | 73.5 | Confident | 70.5 | Confident | 100 Ų | 100 | 103.1 Ų | 103.1 | 47% | 0.467 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.1 | -46.7 | 175.7 | -74.8 | 168 | 161.1 | 0 | 0 | 111.2 | L747 R748 L753 L754 E755 | L747-E751 HydrophobicContact CG-CG 4.36Å; L747-E751 WeakPolarHBondContact O-CB 3.26Å; L747-E751 WeakPolarHBondContact O-CG 3.46Å; L747-E751 PolarHBondContact O-N 3.31Å; R748-E751 WeakPolarHBondContact CA-OE2 3.38Å; R748-E751 PolarHBondContact O-N 3.42Å; E751-L753 VanDerWaalsContact C-N 3.32Å; E751-L753 PolarHBondContact O-N 3.25Å; E751-L754 CarbonylContact O-C 3.6Å; E751-L754 PolarHBondContact O-N 2.79Å; E751-E755 WeakPolarHBondContact O-CB 3.33Å; E751-E755 PolarHBondContact O-N 3.1Å |
| 752 | E | 71.3 | Confident | 71.1 | Confident | 118 Ų | 118 | 98.8 Ų | 98.8 | 55% | 0.551 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.2 | -38.4 | 174.7 | -72.4 | 173.6 | 172.7 | 0 | 0 | 112.7 | R748 T756 | R748-E752 WeakPolarHBondContact O-CG 3.31Å; R748-E752 PolarHBondContact O-N 2.84Å; E752-T756 WeakPolarHBondContact O-CB 3.41Å; E752-T756 PolarHBondContact O-N 3.01Å; E752-T756 PolarHBondContact O-OG1 3.41Å |
| 753 | L | 71 | Confident | 71.7 | Confident | 129 Ų | 129 | 96 Ų | 96 | 68% | 0.675 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -72.9 | -36.3 | 175.6 | -73.5 | 172.8 | 0 | 0 | 0 | 112.5 | T749 V750 E751 G757 | T749-L753 WeakPolarHBondContact O-CG 3.16Å; T749-L753 PolarHBondContact O-N 3.17Å; V750-L753 PolarHBondContact O-N 3.46Å; E751-L753 VanDerWaalsContact C-N 3.32Å; E751-L753 PolarHBondContact O-N 3.25Å; L753-G757 PolarHBondContact O-N 3.39Å |
| 754 | L | 71.7 | Confident | 72.3 | Confident | 100 Ų | 100 | 96 Ų | 96 | 52% | 0.524 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.3 | -38.6 | 173.7 | -78.2 | 172.5 | 0 | 0 | 0 | 111.4 | V750 E751 G757 L758 | V750-L754 HydrophobicContact CG1-CD1 3.74Å; V750-L754 HydrophobicContact CG1-CG 4.15Å; V750-L754 VanDerWaalsContact O-CB 3.29Å; V750-L754 WeakPolarHBondContact O-CB 3.49Å; V750-L754 VanDerWaalsContact O-CG 3.25Å; V750-L754 WeakPolarHBondContact O-CG 3.39Å; V750-L754 PolarHBondContact O-N 3.48Å; E751-L754 CarbonylContact O-C 3.6Å; E751-L754 PolarHBondContact O-N 2.79Å; L754-G757 CarbonylContact O-C 3.55Å; L754-G757 PolarHBondContact O-N 2.7Å; L754-L758 VanDerWaalsContact O-CB 3.26Å; L754-L758 WeakPolarHBondContact O-CB 3.36Å; L754-L758 WeakPolarHBondContact O-CG 3.34Å; L754-L758 PolarHBondContact O-N 3.18Å |
| 755 | E | 75.1 | Confident | 72.9 | Confident | 126 Ų | 126 | 97.5 Ų | 97.5 | 59% | 0.589 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.8 | -44.9 | 175.6 | -173 | 166 | -157.4 | 0 | 0 | 110.5 | E751 G757 L758 I759 | E751-E755 WeakPolarHBondContact O-CB 3.33Å; E751-E755 PolarHBondContact O-N 3.1Å; E755-G757 VanDerWaalsContact C-N 3.29Å; E755-G757 PolarHBondContact O-N 2.95Å; E755-L758 PolarHBondContact O-N 3.31Å; E755-I759 HydrophobicContact CG-CD1 4.3Å; E755-I759 VanDerWaalsContact O-CG1 3.28Å; E755-I759 WeakPolarHBondContact O-CG1 3.4Å; E755-I759 PolarHBondContact O-N 3Å |
| 756 | T | 72 | Confident | 73.3 | Confident | 81 Ų | 81 | 98.1 Ų | 98.1 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.7 | -39.2 | 171.8 | -53.1 | 0 | 0 | 0 | 0 | 112 | E752 Q760 | E752-T756 WeakPolarHBondContact O-CB 3.41Å; E752-T756 PolarHBondContact O-N 3.01Å; E752-T756 PolarHBondContact O-OG1 3.41Å; T756-Q760 PolarHBondContact O-N 2.96Å |
| 757 | G | 75.1 | Confident | 73.9 | Confident | 31 Ų | 31 | 98.3 Ų | 98.3 | 32% | 0.32 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70 | -40.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L753 L754 E755 Q760 V761 | L753-G757 PolarHBondContact O-N 3.39Å; L754-G757 CarbonylContact O-C 3.55Å; L754-G757 PolarHBondContact O-N 2.7Å; E755-G757 VanDerWaalsContact C-N 3.29Å; E755-G757 PolarHBondContact O-N 2.95Å; G757-Q760 CarbonylContact O-C 3.52Å; G757-Q760 PolarHBondContact O-N 2.83Å; G757-V761 VanDerWaalsContact O-CG2 3.28Å; G757-V761 WeakPolarHBondContact O-CG2 3.5Å; G757-V761 PolarHBondContact O-N 2.92Å |
| 758 | L | 76.5 | Confident | 74.2 | Confident | 115 Ų | 115 | 98.4 Ų | 98.4 | 60% | 0.602 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.5 | -38.3 | 178.7 | -77.3 | 167.6 | 0 | 0 | 0 | 111.2 | L754 E755 V761 A762 | L754-L758 VanDerWaalsContact O-CB 3.26Å; L754-L758 WeakPolarHBondContact O-CB 3.36Å; L754-L758 WeakPolarHBondContact O-CG 3.34Å; L754-L758 PolarHBondContact O-N 3.18Å; E755-L758 PolarHBondContact O-N 3.31Å; L758-V761 PolarHBondContact O-N 3Å; L758-A762 VanDerWaalsContact O-CB 3.32Å; L758-A762 WeakPolarHBondContact O-CB 3.35Å; L758-A762 PolarHBondContact O-N 2.98Å |
| 759 | I | 74.1 | Confident | 74.7 | Confident | 107 Ų | 107 | 94.7 Ų | 94.7 | 55% | 0.549 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.9 | -47.7 | 170.8 | -68.6 | 164.5 | 0 | 0 | 0 | 109.8 | E755 V761 A762 T763 | E755-I759 HydrophobicContact CG-CD1 4.3Å; E755-I759 VanDerWaalsContact O-CG1 3.28Å; E755-I759 WeakPolarHBondContact O-CG1 3.4Å; E755-I759 PolarHBondContact O-N 3Å; I759-V761 VanDerWaalsContact C-N 3.32Å; I759-V761 PolarHBondContact O-N 3.42Å; I759-A762 PolarHBondContact O-N 3.47Å; I759-T763 PolarHBondContact O-N 3.17Å; I759-T763 PolarHBondContact O-OG1 3.37Å |
| 760 | Q | 73.6 | Confident | 75.2 | Confident | 100 Ų | 100 | 93.4 Ų | 93.4 | 47% | 0.467 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.8 | -29.6 | 176.4 | -80.6 | -163.7 | 30.2 | 0 | 0 | 114.7 | T756 G757 R764 | T756-Q760 PolarHBondContact O-N 2.96Å; G757-Q760 CarbonylContact O-C 3.52Å; G757-Q760 PolarHBondContact O-N 2.83Å; Q760-R764 WeakPolarHBondContact O-CG 3.5Å; Q760-R764 PolarHBondContact O-N 2.78Å; Q760-R764 PolarHBondContact O-NH1 3.42Å; Q760-R764 VanDerWaalsContact OE1-NH1 3.15Å |
| 761 | V | 72.1 | Confident | 75.6 | Confident | 81 Ų | 81 | 94.1 Ų | 94.1 | 49% | 0.491 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -73.8 | -42 | 173.5 | 168.2 | 0 | 0 | 0 | 0 | 109.5 | G757 L758 I759 T763 R764 E765 | G757-V761 VanDerWaalsContact O-CG2 3.28Å; G757-V761 WeakPolarHBondContact O-CG2 3.5Å; G757-V761 PolarHBondContact O-N 2.92Å; L758-V761 PolarHBondContact O-N 3Å; I759-V761 VanDerWaalsContact C-N 3.32Å; I759-V761 PolarHBondContact O-N 3.42Å; V761-T763 PolarHBondContact O-N 2.9Å; V761-R764 CarbonylContact O-C 3.58Å; V761-R764 PolarHBondContact O-N 3.36Å; V761-E765 VanDerWaalsContact O-CB 3.27Å; V761-E765 WeakPolarHBondContact O-CB 3.31Å; V761-E765 PolarHBondContact O-N 3.11Å |
| 762 | A | 73.6 | Confident | 76.1 | Confident | 49 Ų | 49 | 96.3 Ų | 96.3 | 41% | 0.405 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | L758 I759 R764 E765 E766 | L758-A762 VanDerWaalsContact O-CB 3.32Å; L758-A762 WeakPolarHBondContact O-CB 3.35Å; L758-A762 PolarHBondContact O-N 2.98Å; I759-A762 PolarHBondContact O-N 3.47Å; A762-R764 PolarHBondContact O-N 2.86Å; A762-E765 PolarHBondContact O-N 3.44Å; A762-E766 WeakPolarHBondContact O-CG 3.4Å; A762-E766 PolarHBondContact O-N 2.84Å |
| 763 | T | 73.9 | Confident | 76.6 | Confident | 66 Ų | 66 | 94.9 Ų | 94.9 | 41% | 0.405 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 175 | -35.1 | 0 | 0 | 0 | 0 | 111.7 | I759 V761 E765 E766 E767 | I759-T763 PolarHBondContact O-N 3.17Å; I759-T763 PolarHBondContact O-OG1 3.37Å; V761-T763 PolarHBondContact O-N 2.9Å; T763-E765 VanDerWaalsContact C-N 3.35Å; T763-E766 PolarHBondContact O-N 2.99Å; T763-E767 WeakPolarHBondContact O-CG 3.43Å; T763-E767 PolarHBondContact O-N 3.49Å |
| 764 | R | 77.8 | Confident | 77.2 | Confident | 137 Ų | 137 | 94.6 Ų | 94.6 | 52% | 0.517 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.7 | -29.8 | 175.2 | -73.9 | -176.3 | -178.1 | 95 | -3 | 113.1 | Q760 V761 A762 L768 | Q760-R764 WeakPolarHBondContact O-CG 3.5Å; Q760-R764 PolarHBondContact O-N 2.78Å; Q760-R764 PolarHBondContact O-NH1 3.42Å; Q760-R764 VanDerWaalsContact OE1-NH1 3.15Å; V761-R764 CarbonylContact O-C 3.58Å; V761-R764 PolarHBondContact O-N 3.36Å; A762-R764 PolarHBondContact O-N 2.86Å; R764-L768 VanDerWaalsContact O-CB 3.24Å; R764-L768 WeakPolarHBondContact O-CB 3.23Å; R764-L768 WeakPolarHBondContact O-CG 3.29Å; R764-L768 PolarHBondContact O-N 2.92Å |
| 765 | E | 78.1 | Confident | 77.1 | Confident | 102 Ų | 102 | 94 Ų | 94 | 48% | 0.477 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -71.7 | -38.4 | 175.1 | -174 | 103.3 | -123.7 | 0 | 0 | 110.3 | V761 A762 T763 L768 S769 | V761-E765 VanDerWaalsContact O-CB 3.27Å; V761-E765 WeakPolarHBondContact O-CB 3.31Å; V761-E765 PolarHBondContact O-N 3.11Å; A762-E765 PolarHBondContact O-N 3.44Å; T763-E765 VanDerWaalsContact C-N 3.35Å; E765-L768 CarbonylContact O-C 3.53Å; E765-L768 PolarHBondContact O-N 2.63Å; E765-S769 VanDerWaalsContact O-CB 3.28Å; E765-S769 WeakPolarHBondContact O-CB 3.4Å; E765-S769 PolarHBondContact O-N 3.45Å |
| 766 | E | 78.2 | Confident | 77.5 | Confident | 135 Ų | 135 | 90.7 Ų | 90.7 | 63% | 0.631 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.2 | -48.3 | 170.4 | -74.7 | 178.8 | 166.5 | 0 | 0 | 111.3 | A762 T763 L768 S769 A770 | A762-E766 WeakPolarHBondContact O-CG 3.4Å; A762-E766 PolarHBondContact O-N 2.84Å; T763-E766 PolarHBondContact O-N 2.99Å; E766-L768 PolarHBondContact O-N 2.79Å; E766-S769 WeakPolarHBondContact O-CA 3.29Å; E766-S769 WeakPolarHBondContact O-CB 3.5Å; E766-S769 PolarHBondContact O-N 3.4Å; E766-S769 VanDerWaalsContact O-N 3.08Å; E766-S769 PolarHBondContact O-OG 3.45Å; E766-A770 PolarHBondContact O-N 2.86Å |
| 767 | E | 79.9 | Confident | 78.1 | Confident | 117 Ų | 117 | 89.6 Ų | 89.6 | 55% | 0.547 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -57.7 | -46.2 | 172.9 | -73 | 173.6 | 174.7 | 0 | 0 | 112 | T763 S769 A770 I771 | T763-E767 WeakPolarHBondContact O-CG 3.43Å; T763-E767 PolarHBondContact O-N 3.49Å; E767-S769 VanDerWaalsContact C-N 3.29Å; E767-S769 PolarHBondContact O-N 2.98Å; E767-A770 WeakPolarHBondContact O-CB 3.43Å; E767-A770 PolarHBondContact O-N 3.5Å; E767-I771 WeakPolarHBondContact O-CG1 3.24Å; E767-I771 PolarHBondContact O-N 3.22Å |
| 768 | L | 77.8 | Confident | 78.4 | Confident | 91 Ų | 91 | 92 Ų | 92 | 48% | 0.476 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65 | -31.9 | 174.5 | -77.1 | 169.5 | 0 | 0 | 0 | 112.1 | R764 E765 E766 R772 | R764-L768 VanDerWaalsContact O-CB 3.24Å; R764-L768 WeakPolarHBondContact O-CB 3.23Å; R764-L768 WeakPolarHBondContact O-CG 3.29Å; R764-L768 PolarHBondContact O-N 2.92Å; E765-L768 CarbonylContact O-C 3.53Å; E765-L768 PolarHBondContact O-N 2.63Å; E766-L768 PolarHBondContact O-N 2.79Å; L768-R772 WeakPolarHBondContact O-CB 3.37Å; L768-R772 PolarHBondContact O-N 3.26Å |
| 769 | S | 81.3 | Confident | 78.6 | Confident | 52 Ų | 52 | 90 Ų | 90 | 36% | 0.364 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -70 | -36.6 | 174.8 | 85.2 | 0 | 0 | 0 | 0 | 111.6 | E765 E766 E767 R772 T773 | E765-S769 VanDerWaalsContact O-CB 3.28Å; E765-S769 WeakPolarHBondContact O-CB 3.4Å; E765-S769 PolarHBondContact O-N 3.45Å; E766-S769 WeakPolarHBondContact O-CA 3.29Å; E766-S769 WeakPolarHBondContact O-CB 3.5Å; E766-S769 PolarHBondContact O-N 3.4Å; E766-S769 VanDerWaalsContact O-N 3.08Å; E766-S769 PolarHBondContact O-OG 3.45Å; E767-S769 VanDerWaalsContact C-N 3.29Å; E767-S769 PolarHBondContact O-N 2.98Å; S769-R772 PolarHBondContact O-N 3Å; S769-T773 WeakPolarHBondContact O-CB 3.31Å; S769-T773 WeakPolarHBondContact O-CG2 3.48Å; S769-T773 PolarHBondContact O-N 3.39Å; S769-T773 PolarHBondContact O-OG1 3.28Å |
| 770 | A | 80.9 | Confident | 79 | Confident | 52 Ų | 52 | 90.9 Ų | 90.9 | 43% | 0.43 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.5 | -49 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | E766 E767 R772 T773 E774 | E766-A770 PolarHBondContact O-N 2.86Å; E767-A770 WeakPolarHBondContact O-CB 3.43Å; E767-A770 PolarHBondContact O-N 3.5Å; A770-R772 VanDerWaalsContact C-N 3.26Å; A770-R772 PolarHBondContact O-N 3.28Å; A770-T773 WeakPolarHBondContact CA-OG1 3.36Å; A770-T773 PolarHBondContact O-N 3.39Å; A770-T773 PolarHBondContact O-OG1 3.49Å; A770-E774 WeakPolarHBondContact O-CB 3.36Å; A770-E774 PolarHBondContact O-N 2.94Å |
| 771 | I | 80.2 | Confident | 79.3 | Confident | 88 Ų | 88 | 91.2 Ų | 91.2 | 45% | 0.451 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.4 | -34.9 | 175 | -66 | 166.2 | 0 | 0 | 0 | 111.4 | E767 N775 | E767-I771 WeakPolarHBondContact O-CG1 3.24Å; E767-I771 PolarHBondContact O-N 3.22Å; I771-N775 WeakPolarHBondContact CG2-ND2 3.46Å; I771-N775 VanDerWaalsContact O-CB 3.28Å; I771-N775 WeakPolarHBondContact O-CB 3.42Å; I771-N775 PolarHBondContact O-N 2.83Å; I771-N775 PolarHBondContact O-ND2 3.22Å |
| 772 | R | 83.3 | Confident | 79.4 | Confident | 146 Ų | 146 | 91.8 Ų | 91.8 | 55% | 0.551 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -75.7 | -32.3 | 179.2 | -164.7 | -176.9 | -60.1 | 142.7 | -1 | 112.5 | L768 S769 A770 S776 | L768-R772 WeakPolarHBondContact O-CB 3.37Å; L768-R772 PolarHBondContact O-N 3.26Å; S769-R772 PolarHBondContact O-N 3Å; A770-R772 VanDerWaalsContact C-N 3.26Å; A770-R772 PolarHBondContact O-N 3.28Å; R772-S776 VanDerWaalsContact O-CB 3.27Å; R772-S776 WeakPolarHBondContact O-CB 3.33Å; R772-S776 PolarHBondContact O-N 2.88Å |
| 773 | T | 82.4 | Confident | 79.6 | Confident | 87 Ų | 87 | 95.5 Ų | 95.5 | 53% | 0.534 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -77.6 | -34.8 | 173.3 | 50.5 | 0 | 0 | 0 | 0 | 112.2 | S769 A770 S776 T777 | S769-T773 WeakPolarHBondContact O-CB 3.31Å; S769-T773 WeakPolarHBondContact O-CG2 3.48Å; S769-T773 PolarHBondContact O-N 3.39Å; S769-T773 PolarHBondContact O-OG1 3.28Å; A770-T773 WeakPolarHBondContact CA-OG1 3.36Å; A770-T773 PolarHBondContact O-N 3.39Å; A770-T773 PolarHBondContact O-OG1 3.49Å; T773-S776 PolarHBondContact O-N 3.19Å; T773-T777 WeakPolarHBondContact O-CB 3.36Å; T773-T777 PolarHBondContact O-N 3.19Å; T773-T777 PolarHBondContact O-OG1 3.43Å |
| 774 | E | 83.5 | Confident | 79.8 | Confident | 123 Ų | 123 | 97.1 Ų | 97.1 | 58% | 0.575 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.2 | -51.2 | 168.6 | -173.1 | 175.8 | -160.4 | 0 | 0 | 110.7 | A770 S776 T777 L778 | A770-E774 WeakPolarHBondContact O-CB 3.36Å; A770-E774 PolarHBondContact O-N 2.94Å; E774-S776 VanDerWaalsContact C-N 3.3Å; E774-S776 PolarHBondContact O-N 3.34Å; E774-T777 CarbonylContact O-C 3.52Å; E774-T777 WeakPolarHBondContact O-CA 3.41Å; E774-T777 PolarHBondContact O-N 2.89Å; E774-L778 HydrophobicContact CG-CD1 4.16Å; E774-L778 PolarHBondContact O-N 3.1Å |
| 775 | N | 69.1 | Low | 79.6 | Confident | 87 Ų | 87 | 96.1 Ų | 96.1 | 47% | 0.465 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.1 | -38.1 | 173.7 | -87.6 | -80.5 | 0 | 0 | 0 | 112.6 | I771 T777 T779 | I771-N775 WeakPolarHBondContact CG2-ND2 3.46Å; I771-N775 VanDerWaalsContact O-CB 3.28Å; I771-N775 WeakPolarHBondContact O-CB 3.42Å; I771-N775 PolarHBondContact O-N 2.83Å; I771-N775 PolarHBondContact O-ND2 3.22Å; N775-T777 VanDerWaalsContact C-N 3.28Å; N775-T777 PolarHBondContact O-N 3.45Å; N775-T779 WeakPolarHBondContact O-CB 3.43Å; N775-T779 PolarHBondContact O-N 2.84Å; N775-T779 PolarHBondContact O-OG1 2.82Å |
| 776 | S | 84.7 | Confident | 79.1 | Confident | 57 Ų | 57 | 98.2 Ų | 98.2 | 40% | 0.399 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64 | -35 | 174 | -179.2 | 0 | 0 | 0 | 0 | 112 | R772 T773 E774 R780 | R772-S776 VanDerWaalsContact O-CB 3.27Å; R772-S776 WeakPolarHBondContact O-CB 3.33Å; R772-S776 PolarHBondContact O-N 2.88Å; T773-S776 PolarHBondContact O-N 3.19Å; E774-S776 VanDerWaalsContact C-N 3.3Å; E774-S776 PolarHBondContact O-N 3.34Å; S776-R780 WeakPolarHBondContact O-CB 3.28Å; S776-R780 PolarHBondContact O-N 2.8Å; S776-R780 PolarHBondContact OG-NH2 3.47Å |
| 777 | T | 84.9 | Confident | 78.5 | Confident | 58 Ų | 58 | 94 Ų | 94 | 36% | 0.356 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -77.1 | -44.3 | 179.9 | -58 | 0 | 0 | 0 | 0 | 111.6 | T773 E774 N775 T779 R780 E781 | T773-T777 WeakPolarHBondContact O-CB 3.36Å; T773-T777 PolarHBondContact O-N 3.19Å; T773-T777 PolarHBondContact O-OG1 3.43Å; E774-T777 CarbonylContact O-C 3.52Å; E774-T777 WeakPolarHBondContact O-CA 3.41Å; E774-T777 PolarHBondContact O-N 2.89Å; N775-T777 VanDerWaalsContact C-N 3.28Å; N775-T777 PolarHBondContact O-N 3.45Å; T777-T779 VanDerWaalsContact C-N 3.3Å; T777-T779 PolarHBondContact O-N 2.92Å; T777-R780 WeakPolarHBondContact O-CA 3.34Å; T777-R780 WeakPolarHBondContact O-CB 3.44Å; T777-R780 PolarHBondContact O-N 3.03Å; T777-R780 VanDerWaalsContact O-N 3.07Å; T777-R780 PolarHBondContact OG1-NH1 2.9Å; T777-E781 PolarHBondContact O-N 3.13Å |
| 778 | L | 81.4 | Confident | 78 | Confident | 83 Ų | 83 | 93.8 Ų | 93.8 | 44% | 0.435 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.9 | -39.3 | 169.2 | -69.7 | 169.8 | 0 | 0 | 0 | 111.8 | E774 R780 E781 V782 | E774-L778 HydrophobicContact CG-CD1 4.16Å; E774-L778 PolarHBondContact O-N 3.1Å; L778-R780 VanDerWaalsContact C-N 3.31Å; L778-R780 PolarHBondContact O-N 3.45Å; L778-E781 PolarHBondContact O-N 2.93Å; L778-V782 WeakPolarHBondContact O-CB 3.33Å; L778-V782 VanDerWaalsContact O-CG2 3.23Å; L778-V782 WeakPolarHBondContact O-CG2 3.5Å; L778-V782 PolarHBondContact O-N 2.94Å |
| 779 | T | 79.6 | Confident | 77 | Confident | 71 Ų | 71 | 96 Ų | 96 | 44% | 0.436 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.1 | -38.6 | 173.6 | -60.9 | 0 | 0 | 0 | 0 | 111.3 | N775 T777 Q783 | N775-T779 WeakPolarHBondContact O-CB 3.43Å; N775-T779 PolarHBondContact O-N 2.84Å; N775-T779 PolarHBondContact O-OG1 2.82Å; T777-T779 VanDerWaalsContact C-N 3.3Å; T777-T779 PolarHBondContact O-N 2.92Å; T779-Q783 WeakPolarHBondContact O-CB 3.38Å; T779-Q783 VanDerWaalsContact O-CG 3.28Å; T779-Q783 WeakPolarHBondContact O-CG 3.34Å; T779-Q783 PolarHBondContact O-N 3.46Å |
| 780 | R | 83.1 | Confident | 75.7 | Confident | 126 Ų | 126 | 96.4 Ų | 96.4 | 48% | 0.475 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.3 | -43.2 | 176.7 | -164.7 | -176.5 | -53.8 | 102 | 10.8 | 111.6 | S776 T777 L778 Q783 E784 | S776-R780 WeakPolarHBondContact O-CB 3.28Å; S776-R780 PolarHBondContact O-N 2.8Å; S776-R780 PolarHBondContact OG-NH2 3.47Å; T777-R780 WeakPolarHBondContact O-CA 3.34Å; T777-R780 WeakPolarHBondContact O-CB 3.44Å; T777-R780 PolarHBondContact O-N 3.03Å; T777-R780 VanDerWaalsContact O-N 3.07Å; T777-R780 PolarHBondContact OG1-NH1 2.9Å; L778-R780 VanDerWaalsContact C-N 3.31Å; L778-R780 PolarHBondContact O-N 3.45Å; R780-Q783 PolarHBondContact O-N 2.96Å; R780-E784 WeakPolarHBondContact O-CB 3.38Å; R780-E784 PolarHBondContact O-N 3.05Å |
| 781 | E | 80.1 | Confident | 74.4 | Confident | 108 Ų | 108 | 100.5 Ų | 100.5 | 51% | 0.505 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.2 | -42 | 174.1 | -72.1 | -178.8 | 168.5 | 0 | 0 | 111.8 | T777 L778 Q783 E784 L785 | T777-E781 PolarHBondContact O-N 3.13Å; L778-E781 PolarHBondContact O-N 2.93Å; E781-Q783 VanDerWaalsContact C-N 3.35Å; E781-E784 PolarHBondContact O-N 3.05Å; E781-L785 WeakPolarHBondContact O-CB 3.43Å; E781-L785 VanDerWaalsContact O-CG 3.29Å; E781-L785 WeakPolarHBondContact O-CG 3.21Å; E781-L785 PolarHBondContact O-N 2.87Å |
| 782 | V | 73.5 | Confident | 73.1 | Confident | 93 Ų | 93 | 104.5 Ų | 104.5 | 56% | 0.564 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.8 | -39.4 | 173.5 | 168.1 | 0 | 0 | 0 | 0 | 111.2 | L778 K786 | L778-V782 WeakPolarHBondContact O-CB 3.33Å; L778-V782 VanDerWaalsContact O-CG2 3.23Å; L778-V782 WeakPolarHBondContact O-CG2 3.5Å; L778-V782 PolarHBondContact O-N 2.94Å; V782-K786 WeakPolarHBondContact O-CB 3.42Å; V782-K786 PolarHBondContact O-N 3.45Å |
| 783 | Q | 77.4 | Confident | 71.5 | Confident | 127 Ų | 127 | 100.9 Ų | 100.9 | 59% | 0.593 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.9 | -38.2 | 173 | -79.2 | 179.7 | -11.8 | 0 | 0 | 112.3 | T779 R780 E781 K786 A787 | T779-Q783 WeakPolarHBondContact O-CB 3.38Å; T779-Q783 VanDerWaalsContact O-CG 3.28Å; T779-Q783 WeakPolarHBondContact O-CG 3.34Å; T779-Q783 PolarHBondContact O-N 3.46Å; R780-Q783 PolarHBondContact O-N 2.96Å; E781-Q783 VanDerWaalsContact C-N 3.35Å; Q783-K786 PolarHBondContact O-N 3.35Å; Q783-A787 WeakPolarHBondContact O-CB 3.26Å; Q783-A787 PolarHBondContact O-N 2.9Å |
| 784 | E | 79 | Confident | 70.3 | Confident | 100 Ų | 100 | 101.9 Ų | 101.9 | 47% | 0.467 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -72.3 | -37.3 | 178.5 | -161.6 | -173.6 | 144.8 | 0 | 0 | 111.8 | R780 E781 A787 K788 | R780-E784 WeakPolarHBondContact O-CB 3.38Å; R780-E784 PolarHBondContact O-N 3.05Å; E781-E784 PolarHBondContact O-N 3.05Å; E784-A787 PolarHBondContact O-N 3.4Å; E784-K788 WeakPolarHBondContact O-CB 3.22Å; E784-K788 VanDerWaalsContact O-CG 3.29Å; E784-K788 WeakPolarHBondContact O-CG 3.33Å; E784-K788 PolarHBondContact O-N 3.01Å; E784-K788 WeakPolarHBondContact OE1-CE 3.5Å; E784-K788 IonicContact OE1-NZ 3.65Å; E784-K788 PolarHBondContact OE1-NZ 3.15Å |
| 785 | L | 72.4 | Confident | 69 | Low | 115 Ų | 115 | 102.2 Ų | 102.2 | 60% | 0.602 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.9 | -39.3 | 169.5 | -72.3 | 170.6 | 0 | 0 | 0 | 111.5 | E781 K788 Q789 | E781-L785 WeakPolarHBondContact O-CB 3.43Å; E781-L785 VanDerWaalsContact O-CG 3.29Å; E781-L785 WeakPolarHBondContact O-CG 3.21Å; E781-L785 PolarHBondContact O-N 2.87Å; L785-K788 PolarHBondContact O-N 3.31Å; L785-Q789 WeakPolarHBondContact O-CB 3.46Å; L785-Q789 PolarHBondContact O-N 2.92Å |
| 786 | K | 67.6 | Low | 68.9 | Low | 146 Ų | 146 | 101.1 Ų | 101.1 | 64% | 0.635 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.2 | -34.3 | 174.9 | -171.8 | 174 | -177.1 | 176.8 | 0 | 112.4 | V782 Q783 Q789 S790 | V782-K786 WeakPolarHBondContact O-CB 3.42Å; V782-K786 PolarHBondContact O-N 3.45Å; Q783-K786 PolarHBondContact O-N 3.35Å; K786-Q789 PolarHBondContact O-N 2.87Å; K786-S790 WeakPolarHBondContact O-CB 3.41Å; K786-S790 PolarHBondContact O-N 3.17Å |
| 787 | A | 65.8 | Low | 68.1 | Low | 47 Ų | 47 | 101.7 Ų | 101.7 | 39% | 0.388 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.2 | -48.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q783 E784 Q789 S790 D791 | Q783-A787 WeakPolarHBondContact O-CB 3.26Å; Q783-A787 PolarHBondContact O-N 2.9Å; E784-A787 PolarHBondContact O-N 3.4Å; A787-Q789 PolarHBondContact O-N 3.49Å; A787-S790 CarbonylContact O-C 3.59Å; A787-S790 WeakPolarHBondContact O-CA 3.42Å; A787-S790 VanDerWaalsContact O-CB 3.28Å; A787-S790 WeakPolarHBondContact O-CB 3.34Å; A787-S790 PolarHBondContact O-N 2.95Å; A787-D791 PolarHBondContact O-N 3.05Å |
| 788 | K | 69.4 | Low | 67.4 | Low | 113 Ų | 113 | 103.7 Ų | 103.7 | 49% | 0.491 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.5 | -32.3 | 174.6 | -71.4 | 165.9 | -172.9 | 166.9 | 0 | 113 | E784 L785 Q792 | E784-K788 WeakPolarHBondContact O-CB 3.22Å; E784-K788 VanDerWaalsContact O-CG 3.29Å; E784-K788 WeakPolarHBondContact O-CG 3.33Å; E784-K788 PolarHBondContact O-N 3.01Å; E784-K788 WeakPolarHBondContact OE1-CE 3.5Å; E784-K788 IonicContact OE1-NZ 3.65Å; E784-K788 PolarHBondContact OE1-NZ 3.15Å; L785-K788 PolarHBondContact O-N 3.31Å; K788-Q792 WeakPolarHBondContact O-CB 3.45Å; K788-Q792 PolarHBondContact O-N 3.4Å |
| 789 | Q | 57.1 | Low | 67 | Low | 137 Ų | 137 | 103.8 Ų | 103.8 | 64% | 0.64 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -71.4 | -35.3 | 172 | -170.8 | 179.4 | 25.4 | 0 | 0 | 112.3 | L785 K786 A787 | L785-Q789 WeakPolarHBondContact O-CB 3.46Å; L785-Q789 PolarHBondContact O-N 2.92Å; K786-Q789 PolarHBondContact O-N 2.87Å; A787-Q789 PolarHBondContact O-N 3.49Å |
| 790 | S | 53.8 | Low | 66.9 | Low | 61 Ų | 61 | 105.6 Ų | 105.6 | 43% | 0.427 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.7 | -41.3 | 173.8 | -169.6 | 0 | 0 | 0 | 0 | 111.9 | K786 A787 Q792 | K786-S790 WeakPolarHBondContact O-CB 3.41Å; K786-S790 PolarHBondContact O-N 3.17Å; A787-S790 CarbonylContact O-C 3.59Å; A787-S790 WeakPolarHBondContact O-CA 3.42Å; A787-S790 VanDerWaalsContact O-CB 3.28Å; A787-S790 WeakPolarHBondContact O-CB 3.34Å; A787-S790 PolarHBondContact O-N 2.95Å; S790-Q792 PolarHBondContact O-N 3.43Å |
| 791 | D | 55.3 | Low | 66.6 | Low | 138 Ų | 138 | 102.7 Ų | 102.7 | 74% | 0.738 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -72.3 | -16 | -178.8 | -66.5 | -21.6 | 0 | 0 | 0 | 113.3 | A787 | A787-D791 PolarHBondContact O-N 3.05Å |
| 792 | Q | 51.2 | Low | 66.5 | Low | 172 Ų | 172 | 102.2 Ų | 102.2 | 80% | 0.804 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | 3.5 | -177.8 | -157.4 | 166.1 | 60.7 | 0 | 0 | 114 | K788 S790 | K788-Q792 WeakPolarHBondContact O-CB 3.45Å; K788-Q792 PolarHBondContact O-N 3.4Å; S790-Q792 PolarHBondContact O-N 3.43Å |
| 793 | V | 49.8 | Very low | 66.8 | Low | 70 Ų | 70 | 104.4 Ų | 104.4 | 42% | 0.424 | 54% | 0.54 | S | S | . | . | trans | -136 | 109 | -173 | -175.6 | 0 | 0 | 0 | 0 | 112.3 | F795 | V793-F795 HydrophobicContact CG1-CB 3.96Å; V793-F795 HydrophobicContact CG1-CD2 3.49Å; V793-F795 VanDerWaalsContact CG1-CD2 3.49Å; V793-F795 HydrophobicContact CG1-CE2 4.39Å; V793-F795 HydrophobicContact CG1-CG 4.09Å; V793-F795 PolarHBondContact O-N 3.06Å | ||
| 794 | S | 58 | Low | 67.2 | Low | 107 Ų | 107 | 105.5 Ų | 105.5 | 75% | 0.748 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | 6 | -178.7 | 58 | 0 | 0 | 0 | 0 | 116.4 | ||
| 795 | F | 56.8 | Low | 67.6 | Low | 131 Ų | 131 | 104.4 Ų | 104.4 | 58% | 0.575 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -78.7 | -22 | -179.2 | -76.4 | -107.9 | 0 | 0 | 0 | 113.2 | V793 L798 I799 | V793-F795 HydrophobicContact CG1-CB 3.96Å; V793-F795 HydrophobicContact CG1-CD2 3.49Å; V793-F795 VanDerWaalsContact CG1-CD2 3.49Å; V793-F795 HydrophobicContact CG1-CE2 4.39Å; V793-F795 HydrophobicContact CG1-CG 4.09Å; V793-F795 PolarHBondContact O-N 3.06Å; F795-L798 PolarHBondContact O-N 2.91Å; F795-I799 HydrophobicContact CB-CD1 4.47Å; F795-I799 WeakPolarHBondContact O-CB 3.34Å; F795-I799 VanDerWaalsContact O-CG1 3.26Å; F795-I799 WeakPolarHBondContact O-CG1 3.28Å; F795-I799 PolarHBondContact O-N 2.84Å |
| 796 | V | 66 | Low | 68.1 | Low | 63 Ų | 63 | 103.5 Ų | 103.5 | 38% | 0.382 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.9 | -48.2 | 179.3 | -178.1 | 0 | 0 | 0 | 0 | 110.7 | L798 I799 E800 | V796-L798 VanDerWaalsContact C-N 3.34Å; V796-L798 PolarHBondContact O-N 3.39Å; V796-I799 PolarHBondContact O-N 2.86Å; V796-E800 WeakPolarHBondContact O-CG 3.37Å; V796-E800 PolarHBondContact O-N 3.22Å |
| 797 | S | 67.3 | Low | 68.8 | Low | 70 Ų | 70 | 103.7 Ų | 103.7 | 49% | 0.49 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58.7 | -42.9 | 175.3 | -171.4 | 0 | 0 | 0 | 0 | 112.3 | I799 E800 D801 | S797-I799 PolarHBondContact O-N 3.2Å; S797-E800 PolarHBondContact O-N 3.44Å; S797-D801 WeakPolarHBondContact O-CB 3.38Å; S797-D801 PolarHBondContact O-N 3.09Å |
| 798 | L | 71.6 | Confident | 69.8 | Low | 99 Ų | 99 | 106.8 Ų | 106.8 | 52% | 0.518 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.1 | -36.6 | -180 | -175.4 | 63.2 | 0 | 0 | 0 | 112.1 | F795 V796 L802 | F795-L798 PolarHBondContact O-N 2.91Å; V796-L798 VanDerWaalsContact C-N 3.34Å; V796-L798 PolarHBondContact O-N 3.39Å; L798-L802 HydrophobicContact CG-CD1 4.35Å; L798-L802 WeakPolarHBondContact O-CB 3.3Å; L798-L802 WeakPolarHBondContact O-CG 3.49Å; L798-L802 PolarHBondContact O-N 3.37Å |
| 799 | I | 72.4 | Confident | 70.5 | Confident | 86 Ų | 86 | 106.7 Ų | 106.7 | 44% | 0.441 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -70.7 | -37.5 | 174.9 | -70.2 | 166.2 | 0 | 0 | 0 | 110.8 | F795 V796 S797 K803 | F795-I799 HydrophobicContact CB-CD1 4.47Å; F795-I799 WeakPolarHBondContact O-CB 3.34Å; F795-I799 VanDerWaalsContact O-CG1 3.26Å; F795-I799 WeakPolarHBondContact O-CG1 3.28Å; F795-I799 PolarHBondContact O-N 2.84Å; V796-I799 PolarHBondContact O-N 2.86Å; S797-I799 PolarHBondContact O-N 3.2Å; I799-K803 HydrophobicContact CG2-CD 4.24Å; I799-K803 WeakPolarHBondContact O-CB 3.34Å; I799-K803 VanDerWaalsContact O-CG 3.26Å; I799-K803 WeakPolarHBondContact O-CG 3.33Å; I799-K803 PolarHBondContact O-N 2.96Å |
| 800 | E | 77.2 | Confident | 71.7 | Confident | 108 Ų | 108 | 104 Ų | 104 | 51% | 0.505 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.1 | -41.1 | 174.7 | -74.9 | 178 | 166.7 | 0 | 0 | 112 | V796 S797 K803 R804 | V796-E800 WeakPolarHBondContact O-CG 3.37Å; V796-E800 PolarHBondContact O-N 3.22Å; S797-E800 PolarHBondContact O-N 3.44Å; E800-K803 PolarHBondContact O-N 3.36Å; E800-R804 WeakPolarHBondContact O-CB 3.3Å; E800-R804 PolarHBondContact O-N 3.45Å |
| 801 | D | 76.1 | Confident | 73.3 | Confident | 66 Ų | 66 | 102.9 Ų | 102.9 | 35% | 0.353 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.6 | -39.2 | 174.7 | -72.1 | -34.5 | 0 | 0 | 0 | 112.4 | S797 R804 V805 | S797-D801 WeakPolarHBondContact O-CB 3.38Å; S797-D801 PolarHBondContact O-N 3.09Å; D801-R804 WeakPolarHBondContact O-CB 3.35Å; D801-R804 PolarHBondContact O-N 3.45Å; D801-R804 IonicContact OD1-CZ 3.02Å; D801-R804 VanDerWaalsContact OD1-CZ 3.3Å; D801-R804 IonicContact OD1-NE 2.65Å; D801-R804 PolarHBondContact OD1-NE 2.92Å; D801-R804 IonicContact OD1-NH2 2.97Å; D801-R804 PolarHBondContact OD1-NH2 2.97Å; D801-V805 WeakPolarHBondContact O-CG2 3.36Å; D801-V805 PolarHBondContact O-N 3.39Å |
| 802 | L | 78.5 | Confident | 74.7 | Confident | 98 Ų | 98 | 100.4 Ų | 100.4 | 51% | 0.513 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 170.8 | -83.9 | 163.4 | 0 | 0 | 0 | 112 | L798 R804 V805 I806 | L798-L802 HydrophobicContact CG-CD1 4.35Å; L798-L802 WeakPolarHBondContact O-CB 3.3Å; L798-L802 WeakPolarHBondContact O-CG 3.49Å; L798-L802 PolarHBondContact O-N 3.37Å; L802-R804 VanDerWaalsContact C-N 3.33Å; L802-R804 PolarHBondContact O-N 2.91Å; L802-V805 PolarHBondContact O-N 3.34Å; L802-I806 WeakPolarHBondContact O-CB 3.25Å; L802-I806 WeakPolarHBondContact O-CD1 3.43Å; L802-I806 VanDerWaalsContact O-CG1 3.25Å; L802-I806 WeakPolarHBondContact O-CG1 3.49Å; L802-I806 PolarHBondContact O-N 2.97Å |
| 803 | K | 79.4 | Confident | 76.2 | Confident | 138 Ų | 138 | 96.4 Ų | 96.4 | 60% | 0.6 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.4 | -38.3 | 173.6 | -77.1 | 172.9 | 178.9 | 179.3 | 0 | 112.2 | I799 E800 I806 H807 | I799-K803 HydrophobicContact CG2-CD 4.24Å; I799-K803 WeakPolarHBondContact O-CB 3.34Å; I799-K803 VanDerWaalsContact O-CG 3.26Å; I799-K803 WeakPolarHBondContact O-CG 3.33Å; I799-K803 PolarHBondContact O-N 2.96Å; E800-K803 PolarHBondContact O-N 3.36Å; K803-I806 PolarHBondContact O-N 3.48Å; K803-H807 WeakPolarHBondContact O-CB 3.5Å; K803-H807 PolarHBondContact O-N 3.29Å |
| 804 | R | 87.3 | Confident | 77.8 | Confident | 150 Ų | 150 | 99.7 Ų | 99.7 | 57% | 0.566 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62 | -47.3 | 176 | -157.5 | -166.6 | -45 | -79.7 | -0.2 | 110.9 | E800 D801 L802 H807 E808 | E800-R804 WeakPolarHBondContact O-CB 3.3Å; E800-R804 PolarHBondContact O-N 3.45Å; D801-R804 WeakPolarHBondContact O-CB 3.35Å; D801-R804 PolarHBondContact O-N 3.45Å; D801-R804 IonicContact OD1-CZ 3.02Å; D801-R804 VanDerWaalsContact OD1-CZ 3.3Å; D801-R804 IonicContact OD1-NE 2.65Å; D801-R804 PolarHBondContact OD1-NE 2.92Å; D801-R804 IonicContact OD1-NH2 2.97Å; D801-R804 PolarHBondContact OD1-NH2 2.97Å; L802-R804 VanDerWaalsContact C-N 3.33Å; L802-R804 PolarHBondContact O-N 2.91Å; R804-H807 PolarHBondContact O-N 3.37Å; R804-E808 WeakPolarHBondContact O-CB 3.42Å; R804-E808 PolarHBondContact O-N 2.92Å |
| 805 | V | 87.3 | Confident | 78.9 | Confident | 78 Ų | 78 | 97.5 Ų | 97.5 | 47% | 0.473 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65 | -41.8 | 177 | 171.1 | 0 | 0 | 0 | 0 | 111.6 | D801 L802 E808 K809 | D801-V805 WeakPolarHBondContact O-CG2 3.36Å; D801-V805 PolarHBondContact O-N 3.39Å; L802-V805 PolarHBondContact O-N 3.34Å; V805-E808 PolarHBondContact O-N 3.46Å; V805-K809 HydrophobicContact CG1-CG 4.41Å; V805-K809 WeakPolarHBondContact O-CB 3.37Å; V805-K809 VanDerWaalsContact O-CG 3.24Å; V805-K809 WeakPolarHBondContact O-CG 3.38Å; V805-K809 PolarHBondContact O-N 3.06Å |
| 806 | I | 82.1 | Confident | 80.1 | Confident | 96 Ų | 96 | 95.8 Ų | 95.8 | 49% | 0.492 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62 | -49.1 | 175.5 | -70 | 163.7 | 0 | 0 | 0 | 110.3 | L802 K803 E808 K809 D810 | L802-I806 WeakPolarHBondContact O-CB 3.25Å; L802-I806 WeakPolarHBondContact O-CD1 3.43Å; L802-I806 VanDerWaalsContact O-CG1 3.25Å; L802-I806 WeakPolarHBondContact O-CG1 3.49Å; L802-I806 PolarHBondContact O-N 2.97Å; K803-I806 PolarHBondContact O-N 3.48Å; I806-E808 VanDerWaalsContact C-N 3.31Å; I806-E808 PolarHBondContact O-N 3.4Å; I806-K809 CarbonylContact O-C 3.59Å; I806-K809 PolarHBondContact O-N 2.86Å; I806-K809 VanDerWaalsContact O-N 3.08Å; I806-D810 VanDerWaalsContact O-CG 3.32Å; I806-D810 PolarHBondContact O-N 2.88Å |
| 807 | H | 82.8 | Confident | 80.7 | Confident | 149 Ų | 149 | 98.2 Ų | 98.2 | 69% | 0.69 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.8 | -35.4 | 178.4 | -172.4 | -68.7 | 0 | 0 | 0 | 112.8 | K803 R804 G811 | K803-H807 WeakPolarHBondContact O-CB 3.5Å; K803-H807 PolarHBondContact O-N 3.29Å; R804-H807 PolarHBondContact O-N 3.37Å; H807-G811 PolarHBondContact O-N 2.91Å |
| 808 | E | 87.5 | Confident | 81.6 | Confident | 113 Ų | 113 | 101.3 Ų | 101.3 | 53% | 0.528 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.5 | -39 | 173.1 | -175.3 | 174.1 | -167.6 | 0 | 0 | 111.9 | R804 V805 I806 G811 Q812 | R804-E808 WeakPolarHBondContact O-CB 3.42Å; R804-E808 PolarHBondContact O-N 2.92Å; V805-E808 PolarHBondContact O-N 3.46Å; I806-E808 VanDerWaalsContact C-N 3.31Å; I806-E808 PolarHBondContact O-N 3.4Å; E808-G811 PolarHBondContact O-N 3.37Å; E808-Q812 WeakPolarHBondContact O-CG 3.33Å; E808-Q812 PolarHBondContact O-N 2.84Å |
| 809 | K | 84.1 | Confident | 82.2 | Confident | 110 Ų | 110 | 102 Ų | 102 | 48% | 0.478 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.1 | -41 | 176 | -70.4 | -72.1 | 159 | -161.7 | 0 | 112.4 | V805 I806 G811 Q812 I813 | V805-K809 HydrophobicContact CG1-CG 4.41Å; V805-K809 WeakPolarHBondContact O-CB 3.37Å; V805-K809 VanDerWaalsContact O-CG 3.24Å; V805-K809 WeakPolarHBondContact O-CG 3.38Å; V805-K809 PolarHBondContact O-N 3.06Å; I806-K809 CarbonylContact O-C 3.59Å; I806-K809 PolarHBondContact O-N 2.86Å; I806-K809 VanDerWaalsContact O-N 3.08Å; K809-G811 VanDerWaalsContact C-N 3.28Å; K809-G811 PolarHBondContact O-N 3.22Å; K809-Q812 PolarHBondContact O-N 3.02Å; K809-Q812 VanDerWaalsContact O-N 3.17Å; K809-I813 VanDerWaalsContact O-CG1 3.31Å; K809-I813 WeakPolarHBondContact O-CG1 3.34Å; K809-I813 PolarHBondContact O-N 3.1Å |
| 810 | D | 81.8 | Confident | 82.6 | Confident | 80 Ų | 80 | 103.4 Ų | 103.4 | 43% | 0.428 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.7 | -36.4 | 172.9 | -67.5 | -21 | 0 | 0 | 0 | 111.5 | I806 I813 K814 | I806-D810 VanDerWaalsContact O-CG 3.32Å; I806-D810 PolarHBondContact O-N 2.88Å; D810-I813 PolarHBondContact O-N 3.39Å; D810-K814 WeakPolarHBondContact O-CG 3.49Å; D810-K814 PolarHBondContact O-N 2.84Å |
| 811 | G | 87.1 | Confident | 83 | Confident | 38 Ų | 38 | 104.4 Ų | 104.4 | 39% | 0.392 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | H807 E808 K809 S815 | H807-G811 PolarHBondContact O-N 2.91Å; E808-G811 PolarHBondContact O-N 3.37Å; K809-G811 VanDerWaalsContact C-N 3.28Å; K809-G811 PolarHBondContact O-N 3.22Å; G811-S815 PolarHBondContact O-N 2.92Å |
| 812 | Q | 83.6 | Confident | 83.4 | Confident | 87 Ų | 87 | 104.6 Ų | 104.6 | 41% | 0.407 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 174.5 | -73.4 | 172 | 9.9 | 0 | 0 | 111.8 | E808 K809 S815 V816 | E808-Q812 WeakPolarHBondContact O-CG 3.33Å; E808-Q812 PolarHBondContact O-N 2.84Å; K809-Q812 PolarHBondContact O-N 3.02Å; K809-Q812 VanDerWaalsContact O-N 3.17Å; Q812-S815 PolarHBondContact O-N 2.89Å; Q812-V816 WeakPolarHBondContact O-CG2 3.5Å; Q812-V816 PolarHBondContact O-N 3.01Å |
| 813 | I | 83.1 | Confident | 83.4 | Confident | 87 Ų | 87 | 103.7 Ų | 103.7 | 45% | 0.446 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.5 | -51.8 | 175.7 | -70.6 | 163.6 | 0 | 0 | 0 | 110.2 | K809 D810 S815 V816 E817 | K809-I813 VanDerWaalsContact O-CG1 3.31Å; K809-I813 WeakPolarHBondContact O-CG1 3.34Å; K809-I813 PolarHBondContact O-N 3.1Å; D810-I813 PolarHBondContact O-N 3.39Å; I813-S815 VanDerWaalsContact C-N 3.31Å; I813-S815 PolarHBondContact O-N 3Å; I813-V816 WeakPolarHBondContact O-CA 3.37Å; I813-V816 PolarHBondContact O-N 3.48Å; I813-E817 HydrophobicContact CG2-CG 4.31Å; I813-E817 WeakPolarHBondContact O-CG 3.36Å; I813-E817 PolarHBondContact O-N 3.02Å |
| 814 | K | 83.1 | Confident | 83.3 | Confident | 140 Ų | 140 | 102.5 Ų | 102.5 | 61% | 0.609 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.1 | -40.8 | 177.8 | -73.6 | 173.7 | -179.1 | 176.8 | 0 | 113.1 | D810 V816 E817 E818 | D810-K814 WeakPolarHBondContact O-CG 3.49Å; D810-K814 PolarHBondContact O-N 2.84Å; K814-V816 VanDerWaalsContact C-N 3.31Å; K814-V816 PolarHBondContact O-N 3.49Å; K814-E817 PolarHBondContact O-N 3.21Å; K814-E818 WeakPolarHBondContact O-CB 3.43Å; K814-E818 PolarHBondContact O-N 3.19Å |
| 815 | S | 82.4 | Confident | 83.1 | Confident | 61 Ų | 61 | 100.3 Ų | 100.3 | 43% | 0.427 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.3 | -32 | 176.2 | -178.6 | 0 | 0 | 0 | 0 | 112.8 | G811 Q812 I813 L819 | G811-S815 PolarHBondContact O-N 2.92Å; Q812-S815 PolarHBondContact O-N 2.89Å; I813-S815 VanDerWaalsContact C-N 3.31Å; I813-S815 PolarHBondContact O-N 3Å; S815-L819 WeakPolarHBondContact O-CB 3.36Å; S815-L819 WeakPolarHBondContact O-CD1 3.39Å; S815-L819 VanDerWaalsContact O-CG 3.23Å; S815-L819 WeakPolarHBondContact O-CG 3.42Å; S815-L819 PolarHBondContact O-N 3.34Å; S815-L819 VanDerWaalsContact O-N 3.15Å |
| 816 | V | 81.8 | Confident | 82.8 | Confident | 94 Ų | 94 | 101.3 Ų | 101.3 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -74.5 | -40 | 174.5 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | Q812 I813 K814 L819 L820 | Q812-V816 WeakPolarHBondContact O-CG2 3.5Å; Q812-V816 PolarHBondContact O-N 3.01Å; I813-V816 WeakPolarHBondContact O-CA 3.37Å; I813-V816 PolarHBondContact O-N 3.48Å; K814-V816 VanDerWaalsContact C-N 3.31Å; K814-V816 PolarHBondContact O-N 3.49Å; V816-L819 PolarHBondContact O-N 3.37Å; V816-L820 WeakPolarHBondContact O-CB 3.26Å; V816-L820 PolarHBondContact O-N 3.41Å |
| 817 | E | 78.6 | Confident | 82.5 | Confident | 114 Ų | 114 | 100.4 Ų | 100.4 | 53% | 0.533 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60 | -48.3 | 174.1 | -70.1 | 170.7 | 155.3 | 0 | 0 | 111.2 | I813 K814 L819 L820 E821 | I813-E817 HydrophobicContact CG2-CG 4.31Å; I813-E817 WeakPolarHBondContact O-CG 3.36Å; I813-E817 PolarHBondContact O-N 3.02Å; K814-E817 PolarHBondContact O-N 3.21Å; E817-L819 PolarHBondContact O-N 3.28Å; E817-L820 WeakPolarHBondContact O-CB 3.23Å; E817-L820 PolarHBondContact O-N 3.03Å; E817-L820 VanDerWaalsContact O-N 3.13Å; E817-E821 PolarHBondContact O-N 3.45Å |
| 818 | E | 85.8 | Confident | 82.4 | Confident | 135 Ų | 135 | 95.7 Ų | 95.7 | 63% | 0.631 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.3 | -37.9 | 178.5 | -167.2 | 171.8 | -149.5 | 0 | 0 | 112.1 | K814 V822 | K814-E818 WeakPolarHBondContact O-CB 3.43Å; K814-E818 PolarHBondContact O-N 3.19Å; E818-V822 WeakPolarHBondContact O-CB 3.24Å; E818-V822 VanDerWaalsContact O-CG2 3.29Å; E818-V822 WeakPolarHBondContact O-CG2 3.42Å; E818-V822 PolarHBondContact O-N 3.38Å |
| 819 | L | 84.6 | Confident | 81.9 | Confident | 114 Ų | 114 | 94.9 Ų | 94.9 | 60% | 0.597 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.4 | -37.8 | 171.7 | -77.9 | 169.4 | 0 | 0 | 0 | 112.8 | S815 V816 E817 E823 | S815-L819 WeakPolarHBondContact O-CB 3.36Å; S815-L819 WeakPolarHBondContact O-CD1 3.39Å; S815-L819 VanDerWaalsContact O-CG 3.23Å; S815-L819 WeakPolarHBondContact O-CG 3.42Å; S815-L819 PolarHBondContact O-N 3.34Å; S815-L819 VanDerWaalsContact O-N 3.15Å; V816-L819 PolarHBondContact O-N 3.37Å; E817-L819 PolarHBondContact O-N 3.28Å; L819-E823 PolarHBondContact O-N 2.9Å |
| 820 | L | 81.3 | Confident | 81.7 | Confident | 115 Ų | 115 | 95.7 Ų | 95.7 | 60% | 0.602 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.5 | -41.5 | 177.8 | -161 | 80.4 | 0 | 0 | 0 | 111.1 | V816 E817 E823 L824 | V816-L820 WeakPolarHBondContact O-CB 3.26Å; V816-L820 PolarHBondContact O-N 3.41Å; E817-L820 WeakPolarHBondContact O-CB 3.23Å; E817-L820 PolarHBondContact O-N 3.03Å; E817-L820 VanDerWaalsContact O-N 3.13Å; L820-E823 PolarHBondContact O-N 2.81Å; L820-L824 WeakPolarHBondContact O-CB 3.32Å; L820-L824 WeakPolarHBondContact O-CG 3.39Å; L820-L824 PolarHBondContact O-N 2.91Å |
| 821 | E | 84.1 | Confident | 81.4 | Confident | 129 Ų | 129 | 98.2 Ų | 98.2 | 60% | 0.603 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.1 | -40.6 | 177 | -171.1 | 163.4 | -152.6 | 0 | 0 | 111.9 | E817 E823 L824 L825 | E817-E821 PolarHBondContact O-N 3.45Å; E821-E823 PolarHBondContact O-N 2.88Å; E821-L824 PolarHBondContact O-N 3.44Å; E821-L825 PolarHBondContact O-N 3.02Å |
| 822 | V | 85.9 | Confident | 80.8 | Confident | 70 Ų | 70 | 102.7 Ų | 102.7 | 42% | 0.424 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.4 | -39.6 | 171.9 | 167.4 | 0 | 0 | 0 | 0 | 112.1 | E818 L825 K826 | E818-V822 WeakPolarHBondContact O-CB 3.24Å; E818-V822 VanDerWaalsContact O-CG2 3.29Å; E818-V822 WeakPolarHBondContact O-CG2 3.42Å; E818-V822 PolarHBondContact O-N 3.38Å; V822-L825 PolarHBondContact O-N 3.37Å; V822-K826 PolarHBondContact O-N 3.45Å |
| 823 | E | 78.2 | Confident | 80.4 | Confident | 80 Ų | 80 | 103 Ų | 103 | 37% | 0.374 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -75 | -34.7 | 178.7 | -158.1 | 60.5 | -141.1 | 0 | 0 | 112.1 | L819 L820 E821 L825 K826 V827 | L819-E823 PolarHBondContact O-N 2.9Å; L820-E823 PolarHBondContact O-N 2.81Å; E821-E823 PolarHBondContact O-N 2.88Å; E823-L825 PolarHBondContact O-N 3.37Å; E823-K826 PolarHBondContact O-N 2.86Å; E823-K826 WeakPolarHBondContact OE2-CD 3.44Å; E823-K826 IonicContact OE2-NZ 2.61Å; E823-K826 PolarHBondContact OE2-NZ 2.66Å; E823-V827 WeakPolarHBondContact O-CG2 3.37Å; E823-V827 PolarHBondContact O-N 2.91Å |
| 824 | L | 76.9 | Confident | 80.1 | Confident | 112 Ų | 112 | 103.4 Ų | 103.4 | 59% | 0.586 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59 | -44.4 | 168.7 | -77.2 | 169.7 | 0 | 0 | 0 | 111.5 | L820 E821 K826 V827 A828 | L820-L824 WeakPolarHBondContact O-CB 3.32Å; L820-L824 WeakPolarHBondContact O-CG 3.39Å; L820-L824 PolarHBondContact O-N 2.91Å; E821-L824 PolarHBondContact O-N 3.44Å; L824-K826 VanDerWaalsContact C-N 3.33Å; L824-K826 PolarHBondContact O-N 3.34Å; L824-V827 PolarHBondContact O-N 3.08Å; L824-A828 WeakPolarHBondContact O-CB 3.39Å; L824-A828 PolarHBondContact O-N 2.82Å |
| 825 | L | 83.1 | Confident | 79.6 | Confident | 104 Ų | 104 | 102.9 Ų | 102.9 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.1 | -35.4 | 174.3 | -82.5 | 165.8 | 0 | 0 | 0 | 112.9 | E821 V822 E823 N829 | E821-L825 PolarHBondContact O-N 3.02Å; V822-L825 PolarHBondContact O-N 3.37Å; E823-L825 PolarHBondContact O-N 3.37Å; L825-N829 WeakPolarHBondContact O-CB 3.43Å; L825-N829 PolarHBondContact O-N 3.27Å; L825-N829 PolarHBondContact O-ND2 3.27Å |
| 826 | K | 80.8 | Confident | 79.2 | Confident | 99 Ų | 99 | 105.3 Ų | 105.3 | 43% | 0.43 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.3 | -41 | 172.4 | -75 | 179 | -158.8 | 153.4 | 0 | 112.4 | V822 E823 L824 N829 K830 | V822-K826 PolarHBondContact O-N 3.45Å; E823-K826 PolarHBondContact O-N 2.86Å; E823-K826 WeakPolarHBondContact OE2-CD 3.44Å; E823-K826 IonicContact OE2-NZ 2.61Å; E823-K826 PolarHBondContact OE2-NZ 2.66Å; L824-K826 VanDerWaalsContact C-N 3.33Å; L824-K826 PolarHBondContact O-N 3.34Å; K826-N829 PolarHBondContact O-N 2.87Å; K826-K830 WeakPolarHBondContact O-CB 3.16Å; K826-K830 VanDerWaalsContact O-CG 3.28Å; K826-K830 WeakPolarHBondContact O-CG 3.12Å; K826-K830 PolarHBondContact O-N 3.44Å |
| 827 | V | 76.6 | Confident | 78.8 | Confident | 78 Ų | 78 | 103.6 Ų | 103.6 | 47% | 0.473 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.2 | -48.5 | 176.9 | 172 | 0 | 0 | 0 | 0 | 109.9 | E823 L824 N829 K830 E831 | E823-V827 WeakPolarHBondContact O-CG2 3.37Å; E823-V827 PolarHBondContact O-N 2.91Å; L824-V827 PolarHBondContact O-N 3.08Å; V827-N829 VanDerWaalsContact C-N 3.33Å; V827-N829 PolarHBondContact O-N 2.89Å; V827-K830 WeakPolarHBondContact O-CB 3.42Å; V827-K830 PolarHBondContact O-N 3.29Å; V827-K830 VanDerWaalsContact O-N 3.15Å; V827-E831 WeakPolarHBondContact O-CB 3.42Å; V827-E831 PolarHBondContact O-N 2.9Å |
| 828 | A | 79.6 | Confident | 78.6 | Confident | 49 Ų | 49 | 101.9 Ų | 101.9 | 41% | 0.405 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.2 | -39.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L824 K832 | L824-A828 WeakPolarHBondContact O-CB 3.39Å; L824-A828 PolarHBondContact O-N 2.82Å; A828-K832 VanDerWaalsContact O-CB 3.3Å; A828-K832 WeakPolarHBondContact O-CB 3.44Å; A828-K832 PolarHBondContact O-N 3.48Å |
| 829 | N | 78.4 | Confident | 77.9 | Confident | 96 Ų | 96 | 99.4 Ų | 99.4 | 51% | 0.513 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -70.4 | -36.3 | 175.7 | -80.5 | -41.9 | 0 | 0 | 0 | 113.1 | L825 K826 V827 T833 | L825-N829 WeakPolarHBondContact O-CB 3.43Å; L825-N829 PolarHBondContact O-N 3.27Å; L825-N829 PolarHBondContact O-ND2 3.27Å; K826-N829 PolarHBondContact O-N 2.87Å; V827-N829 VanDerWaalsContact C-N 3.33Å; V827-N829 PolarHBondContact O-N 2.89Å; N829-T833 WeakPolarHBondContact O-CB 3.42Å; N829-T833 PolarHBondContact O-N 2.9Å; N829-T833 PolarHBondContact O-OG1 3.23Å |
| 830 | K | 79.1 | Confident | 77.4 | Confident | 127 Ų | 127 | 97.6 Ų | 97.6 | 55% | 0.552 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.7 | -46.4 | 173.1 | -75.6 | 167.1 | -178 | 168.9 | 0 | 110.4 | K826 V827 K832 T833 V834 | K826-K830 WeakPolarHBondContact O-CB 3.16Å; K826-K830 VanDerWaalsContact O-CG 3.28Å; K826-K830 WeakPolarHBondContact O-CG 3.12Å; K826-K830 PolarHBondContact O-N 3.44Å; V827-K830 WeakPolarHBondContact O-CB 3.42Å; V827-K830 PolarHBondContact O-N 3.29Å; V827-K830 VanDerWaalsContact O-N 3.15Å; K830-K832 PolarHBondContact O-N 3.47Å; K830-T833 WeakPolarHBondContact O-CB 3.35Å; K830-T833 PolarHBondContact O-N 3.49Å; K830-V834 WeakPolarHBondContact O-CG2 3.4Å; K830-V834 PolarHBondContact O-N 3.35Å |
| 831 | E | 74.4 | Confident | 77.2 | Confident | 134 Ų | 134 | 97.6 Ų | 97.6 | 63% | 0.626 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.6 | -47.6 | 176 | -175 | 172.9 | -165.6 | 0 | 0 | 111.6 | V827 T833 V834 Q835 | V827-E831 WeakPolarHBondContact O-CB 3.42Å; V827-E831 PolarHBondContact O-N 2.9Å; E831-T833 VanDerWaalsContact C-N 3.28Å; E831-T833 PolarHBondContact O-N 2.85Å; E831-V834 PolarHBondContact O-N 2.92Å; E831-Q835 WeakPolarHBondContact O-CB 3.21Å; E831-Q835 PolarHBondContact O-N 2.93Å |
| 832 | K | 76.4 | Confident | 76.8 | Confident | 132 Ų | 132 | 95.2 Ų | 95.2 | 57% | 0.574 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.1 | -33.6 | 176.3 | -159.8 | 170.7 | -169.9 | 173.4 | 0 | 112.9 | A828 K830 L836 | A828-K832 VanDerWaalsContact O-CB 3.3Å; A828-K832 WeakPolarHBondContact O-CB 3.44Å; A828-K832 PolarHBondContact O-N 3.48Å; K830-K832 PolarHBondContact O-N 3.47Å; K832-L836 WeakPolarHBondContact O-CB 3.46Å; K832-L836 VanDerWaalsContact O-CG 3.28Å; K832-L836 WeakPolarHBondContact O-CG 3.29Å; K832-L836 PolarHBondContact O-N 3.45Å |
| 833 | T | 73.9 | Confident | 76.4 | Confident | 94 Ų | 94 | 96.5 Ų | 96.5 | 58% | 0.577 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -70.6 | -42.3 | 175.2 | -55.8 | 0 | 0 | 0 | 0 | 111.6 | N829 K830 E831 L836 S837 | N829-T833 WeakPolarHBondContact O-CB 3.42Å; N829-T833 PolarHBondContact O-N 2.9Å; N829-T833 PolarHBondContact O-OG1 3.23Å; K830-T833 WeakPolarHBondContact O-CB 3.35Å; K830-T833 PolarHBondContact O-N 3.49Å; E831-T833 VanDerWaalsContact C-N 3.28Å; E831-T833 PolarHBondContact O-N 2.85Å; T833-L836 PolarHBondContact O-N 2.91Å; T833-S837 PolarHBondContact O-N 2.94Å |
| 834 | V | 76.7 | Confident | 76.5 | Confident | 95 Ų | 95 | 99.3 Ų | 99.3 | 58% | 0.576 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.1 | -44 | 173.6 | 171.9 | 0 | 0 | 0 | 0 | 110.5 | K830 E831 L836 S837 V838 | K830-V834 WeakPolarHBondContact O-CG2 3.4Å; K830-V834 PolarHBondContact O-N 3.35Å; E831-V834 PolarHBondContact O-N 2.92Å; V834-L836 PolarHBondContact O-N 2.91Å; V834-S837 WeakPolarHBondContact O-CB 3.35Å; V834-S837 PolarHBondContact O-N 3.4Å; V834-V838 WeakPolarHBondContact O-CG2 3.48Å; V834-V838 PolarHBondContact O-N 3.01Å |
| 835 | Q | 72.8 | Confident | 76.5 | Confident | 129 Ų | 129 | 99.6 Ų | 99.6 | 60% | 0.603 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62 | -44.6 | 178.3 | -164.8 | 173.1 | 26.1 | 0 | 0 | 111.9 | E831 S837 V838 T839 | E831-Q835 WeakPolarHBondContact O-CB 3.21Å; E831-Q835 PolarHBondContact O-N 2.93Å; Q835-S837 PolarHBondContact O-N 3.42Å; Q835-V838 PolarHBondContact O-N 2.95Å; Q835-T839 PolarHBondContact O-N 3.24Å; Q835-T839 PolarHBondContact O-OG1 2.93Å; Q835-T839 VanDerWaalsContact O-OG1 3.09Å |
| 836 | L | 74.6 | Confident | 76.2 | Confident | 111 Ų | 111 | 99.6 Ų | 99.6 | 58% | 0.581 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.5 | -43.4 | 174.7 | -77.8 | 167.4 | 0 | 0 | 0 | 112.4 | K832 T833 V834 T839 S840 | K832-L836 WeakPolarHBondContact O-CB 3.46Å; K832-L836 VanDerWaalsContact O-CG 3.28Å; K832-L836 WeakPolarHBondContact O-CG 3.29Å; K832-L836 PolarHBondContact O-N 3.45Å; T833-L836 PolarHBondContact O-N 2.91Å; V834-L836 PolarHBondContact O-N 2.91Å; L836-T839 WeakPolarHBondContact CA-OG1 3.49Å; L836-T839 PolarHBondContact O-N 3.48Å; L836-T839 PolarHBondContact O-OG1 2.95Å; L836-S840 PolarHBondContact O-N 2.88Å |
| 837 | S | 72.7 | Confident | 76.1 | Confident | 58 Ų | 58 | 98.7 Ų | 98.7 | 41% | 0.406 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.5 | -47.4 | 175.6 | -176.1 | 0 | 0 | 0 | 0 | 112 | T833 V834 Q835 T839 S840 Q841 | T833-S837 PolarHBondContact O-N 2.94Å; V834-S837 WeakPolarHBondContact O-CB 3.35Å; V834-S837 PolarHBondContact O-N 3.4Å; Q835-S837 PolarHBondContact O-N 3.42Å; S837-T839 PolarHBondContact O-N 2.92Å; S837-S840 WeakPolarHBondContact O-CB 3.48Å; S837-S840 PolarHBondContact O-N 3.38Å; S837-Q841 PolarHBondContact O-N 3.08Å |
| 838 | V | 73.9 | Confident | 76.4 | Confident | 79 Ų | 79 | 100.8 Ų | 100.8 | 48% | 0.479 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 177.2 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | V834 Q835 S840 Q841 V842 | V834-V838 WeakPolarHBondContact O-CG2 3.48Å; V834-V838 PolarHBondContact O-N 3.01Å; Q835-V838 PolarHBondContact O-N 2.95Å; V838-S840 VanDerWaalsContact C-N 3.3Å; V838-S840 PolarHBondContact O-N 2.86Å; V838-Q841 PolarHBondContact O-N 3.25Å; V838-V842 HydrophobicContact CG1-CG2 4.46Å; V838-V842 WeakPolarHBondContact O-CG2 3.5Å; V838-V842 PolarHBondContact O-N 3.04Å |
| 839 | T | 72.2 | Confident | 76.3 | Confident | 82 Ų | 82 | 104.3 Ų | 104.3 | 50% | 0.503 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.8 | -34.9 | 175.1 | 44.6 | 0 | 0 | 0 | 0 | 113 | Q835 L836 S837 V842 Q843 | Q835-T839 PolarHBondContact O-N 3.24Å; Q835-T839 PolarHBondContact O-OG1 2.93Å; Q835-T839 VanDerWaalsContact O-OG1 3.09Å; L836-T839 WeakPolarHBondContact CA-OG1 3.49Å; L836-T839 PolarHBondContact O-N 3.48Å; L836-T839 PolarHBondContact O-OG1 2.95Å; S837-T839 PolarHBondContact O-N 2.92Å; T839-V842 PolarHBondContact O-N 3.41Å; T839-Q843 WeakPolarHBondContact O-CB 3.36Å; T839-Q843 PolarHBondContact O-N 2.7Å |
| 840 | S | 74.3 | Confident | 76.4 | Confident | 76 Ų | 76 | 105.4 Ų | 105.4 | 53% | 0.531 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.8 | -44.6 | 176.2 | -167.1 | 0 | 0 | 0 | 0 | 111.8 | L836 S837 V838 Q843 E844 | L836-S840 PolarHBondContact O-N 2.88Å; S837-S840 WeakPolarHBondContact O-CB 3.48Å; S837-S840 PolarHBondContact O-N 3.38Å; V838-S840 VanDerWaalsContact C-N 3.3Å; V838-S840 PolarHBondContact O-N 2.86Å; S840-Q843 PolarHBondContact O-N 3.43Å; S840-E844 WeakPolarHBondContact O-CB 3.48Å; S840-E844 PolarHBondContact O-N 3.48Å |
| 841 | Q | 77.4 | Confident | 76.3 | Confident | 115 Ų | 115 | 101.1 Ų | 101.1 | 54% | 0.537 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 177.2 | -68 | 179 | 20.6 | 0 | 0 | 111.9 | S837 V838 E844 L845 | S837-Q841 PolarHBondContact O-N 3.08Å; V838-Q841 PolarHBondContact O-N 3.25Å; Q841-E844 PolarHBondContact O-N 2.78Å; Q841-L845 WeakPolarHBondContact O-CB 3.47Å; Q841-L845 VanDerWaalsContact O-CG 3.31Å; Q841-L845 WeakPolarHBondContact O-CG 3.26Å; Q841-L845 PolarHBondContact O-N 3.03Å |
| 842 | V | 75.6 | Confident | 76.5 | Confident | 80 Ų | 80 | 100.4 Ų | 100.4 | 49% | 0.485 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 174.4 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | V838 T839 L845 Q846 | V838-V842 HydrophobicContact CG1-CG2 4.46Å; V838-V842 WeakPolarHBondContact O-CG2 3.5Å; V838-V842 PolarHBondContact O-N 3.04Å; T839-V842 PolarHBondContact O-N 3.41Å; V842-L845 PolarHBondContact O-N 2.92Å; V842-Q846 WeakPolarHBondContact O-CB 3.39Å; V842-Q846 PolarHBondContact O-N 3.49Å |
| 843 | Q | 75.8 | Confident | 76.3 | Confident | 97 Ų | 97 | 100.1 Ų | 100.1 | 45% | 0.453 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.6 | -39.9 | 178.3 | -165.5 | 70.1 | 34 | 0 | 0 | 112.3 | T839 S840 Q846 N847 | T839-Q843 WeakPolarHBondContact O-CB 3.36Å; T839-Q843 PolarHBondContact O-N 2.7Å; S840-Q843 PolarHBondContact O-N 3.43Å; Q843-Q846 PolarHBondContact O-N 2.93Å; Q843-N847 VanDerWaalsContact O-CG 3.31Å; Q843-N847 PolarHBondContact O-N 3.46Å; Q843-N847 PolarHBondContact O-ND2 3.4Å |
| 844 | E | 80.8 | Confident | 76.5 | Confident | 139 Ų | 139 | 101.3 Ų | 101.3 | 65% | 0.65 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.7 | -45.4 | 177.1 | -171.4 | 168.4 | -151.7 | 0 | 0 | 111.4 | S840 Q841 Q846 N847 L848 | S840-E844 WeakPolarHBondContact O-CB 3.48Å; S840-E844 PolarHBondContact O-N 3.48Å; Q841-E844 PolarHBondContact O-N 2.78Å; E844-Q846 VanDerWaalsContact C-N 3.34Å; E844-Q846 PolarHBondContact O-N 3.44Å; E844-N847 PolarHBondContact O-N 3.48Å; E844-L848 WeakPolarHBondContact O-CB 3.26Å; E844-L848 PolarHBondContact O-N 3.42Å |
| 845 | L | 77.9 | Confident | 76.5 | Confident | 118 Ų | 118 | 101.8 Ų | 101.8 | 62% | 0.618 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.2 | -39.7 | 172.9 | -71.4 | 170.7 | 0 | 0 | 0 | 112.3 | Q841 V842 L848 L849 | Q841-L845 WeakPolarHBondContact O-CB 3.47Å; Q841-L845 VanDerWaalsContact O-CG 3.31Å; Q841-L845 WeakPolarHBondContact O-CG 3.26Å; Q841-L845 PolarHBondContact O-N 3.03Å; V842-L845 PolarHBondContact O-N 2.92Å; L845-L848 PolarHBondContact O-N 2.81Å; L845-L849 WeakPolarHBondContact O-CB 3.43Å; L845-L849 PolarHBondContact O-N 2.85Å |
| 846 | Q | 75.6 | Confident | 76.6 | Confident | 104 Ų | 104 | 99.6 Ų | 99.6 | 49% | 0.486 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.4 | -40.1 | 174.9 | -112.4 | -175.9 | 3.7 | 0 | 0 | 112.5 | V842 Q843 E844 R850 | V842-Q846 WeakPolarHBondContact O-CB 3.39Å; V842-Q846 PolarHBondContact O-N 3.49Å; Q843-Q846 PolarHBondContact O-N 2.93Å; E844-Q846 VanDerWaalsContact C-N 3.34Å; E844-Q846 PolarHBondContact O-N 3.44Å; Q846-R850 WeakPolarHBondContact O-CB 3.35Å; Q846-R850 PolarHBondContact O-N 3.28Å |
| 847 | N | 79.2 | Confident | 76.6 | Confident | 80 Ų | 80 | 98.9 Ų | 98.9 | 43% | 0.428 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71.1 | -37 | 177.7 | -71.7 | -20.9 | 0 | 0 | 0 | 112 | Q843 E844 R850 G851 | Q843-N847 VanDerWaalsContact O-CG 3.31Å; Q843-N847 PolarHBondContact O-N 3.46Å; Q843-N847 PolarHBondContact O-ND2 3.4Å; E844-N847 PolarHBondContact O-N 3.48Å; N847-R850 PolarHBondContact O-N 2.83Å; N847-R850 PolarHBondContact OD1-NH2 2.92Å; N847-G851 PolarHBondContact O-N 2.84Å |
| 848 | L | 83.1 | Confident | 76.8 | Confident | 122 Ų | 122 | 100 Ų | 100 | 64% | 0.639 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.5 | -41 | 174.5 | -161 | 74.8 | 0 | 0 | 0 | 111.6 | E844 L845 G851 K852 | E844-L848 WeakPolarHBondContact O-CB 3.26Å; E844-L848 PolarHBondContact O-N 3.42Å; L845-L848 PolarHBondContact O-N 2.81Å; L848-G851 PolarHBondContact O-N 2.62Å; L848-K852 WeakPolarHBondContact O-CG 3.44Å; L848-K852 PolarHBondContact O-N 2.91Å |
| 849 | L | 76.9 | Confident | 76.7 | Confident | 123 Ų | 123 | 101.5 Ų | 101.5 | 64% | 0.644 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.6 | -45.8 | 175.4 | -169.9 | 68.8 | 0 | 0 | 0 | 111.3 | L845 G851 K852 E853 | L845-L849 WeakPolarHBondContact O-CB 3.43Å; L845-L849 PolarHBondContact O-N 2.85Å; L849-G851 PolarHBondContact O-N 3.42Å; L849-K852 WeakPolarHBondContact O-CB 3.4Å; L849-K852 PolarHBondContact O-N 3.04Å; L849-K852 VanDerWaalsContact O-N 3.14Å; L849-E853 PolarHBondContact O-N 2.8Å |
| 850 | R | 80.5 | Confident | 77 | Confident | 118 Ų | 118 | 103.4 Ų | 103.4 | 45% | 0.445 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.2 | -46.9 | 175.8 | -164 | -162.2 | -39.1 | -90.2 | -3.2 | 112.1 | Q846 N847 K852 E853 E854 | Q846-R850 WeakPolarHBondContact O-CB 3.35Å; Q846-R850 PolarHBondContact O-N 3.28Å; N847-R850 PolarHBondContact O-N 2.83Å; N847-R850 PolarHBondContact OD1-NH2 2.92Å; R850-K852 VanDerWaalsContact C-N 3.27Å; R850-K852 PolarHBondContact O-N 3.36Å; R850-E853 WeakPolarHBondContact O-CB 3.31Å; R850-E853 PolarHBondContact O-N 3Å; R850-E853 VanDerWaalsContact O-N 3.16Å; R850-E854 WeakPolarHBondContact O-CG 3.45Å; R850-E854 PolarHBondContact O-N 3.32Å |
| 851 | G | 78.4 | Confident | 76.9 | Confident | 37 Ų | 37 | 102.4 Ų | 102.4 | 38% | 0.381 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.1 | -30.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N847 L848 L849 Q855 | N847-G851 PolarHBondContact O-N 2.84Å; L848-G851 PolarHBondContact O-N 2.62Å; L849-G851 PolarHBondContact O-N 3.42Å; G851-Q855 WeakPolarHBondContact O-CB 3.4Å; G851-Q855 PolarHBondContact O-N 3.46Å; G851-Q855 VanDerWaalsContact O-N 3.13Å |
| 852 | K | 77.1 | Confident | 76.7 | Confident | 119 Ų | 119 | 99.8 Ų | 99.8 | 52% | 0.517 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -73.7 | -38.6 | 171.8 | -74 | -73.5 | 165.7 | -167 | 0 | 112.5 | L848 L849 R850 Q855 V856 | L848-K852 WeakPolarHBondContact O-CG 3.44Å; L848-K852 PolarHBondContact O-N 2.91Å; L849-K852 WeakPolarHBondContact O-CB 3.4Å; L849-K852 PolarHBondContact O-N 3.04Å; L849-K852 VanDerWaalsContact O-N 3.14Å; R850-K852 VanDerWaalsContact C-N 3.27Å; R850-K852 PolarHBondContact O-N 3.36Å; K852-Q855 PolarHBondContact O-N 3.27Å; K852-V856 WeakPolarHBondContact O-CG2 3.21Å; K852-V856 PolarHBondContact O-N 2.96Å |
| 853 | E | 73.9 | Confident | 76.4 | Confident | 126 Ų | 126 | 101.1 Ų | 101.1 | 59% | 0.589 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.9 | -42.9 | 175.7 | -167.8 | 168.5 | -151 | 0 | 0 | 111.7 | L849 R850 Q855 V856 N857 | L849-E853 PolarHBondContact O-N 2.8Å; R850-E853 WeakPolarHBondContact O-CB 3.31Å; R850-E853 PolarHBondContact O-N 3Å; R850-E853 VanDerWaalsContact O-N 3.16Å; E853-Q855 PolarHBondContact O-N 3.45Å; E853-V856 PolarHBondContact O-N 2.9Å; E853-N857 WeakPolarHBondContact O-CB 3.39Å; E853-N857 VanDerWaalsContact O-CG 3.3Å; E853-N857 PolarHBondContact O-N 3.08Å; E853-N857 PolarHBondContact O-ND2 2.99Å; E853-N857 VanDerWaalsContact O-ND2 3.1Å |
| 854 | E | 77.4 | Confident | 76.3 | Confident | 119 Ų | 119 | 101.2 Ų | 101.2 | 56% | 0.556 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.1 | -41.6 | 171.6 | -72.1 | 169.2 | -166.3 | 0 | 0 | 112.2 | R850 N857 S858 | R850-E854 WeakPolarHBondContact O-CG 3.45Å; R850-E854 PolarHBondContact O-N 3.32Å; E854-N857 PolarHBondContact O-N 3.46Å; E854-S858 WeakPolarHBondContact O-CB 3.42Å; E854-S858 PolarHBondContact O-N 3.01Å |
| 855 | Q | 76.6 | Confident | 75.6 | Confident | 105 Ų | 105 | 99 Ų | 99 | 49% | 0.491 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.1 | -39.3 | 176.3 | -174.6 | 166 | 73 | 0 | 0 | 112.2 | G851 K852 E853 M859 | G851-Q855 WeakPolarHBondContact O-CB 3.4Å; G851-Q855 PolarHBondContact O-N 3.46Å; G851-Q855 VanDerWaalsContact O-N 3.13Å; K852-Q855 PolarHBondContact O-N 3.27Å; E853-Q855 PolarHBondContact O-N 3.45Å; Q855-M859 WeakPolarHBondContact O-CG 3.35Å; Q855-M859 PolarHBondContact O-N 3.46Å; Q855-M859 VanDerWaalsContact O-N 3.08Å |
| 856 | V | 74.6 | Confident | 75 | Confident | 84 Ų | 84 | 101.3 Ų | 101.3 | 51% | 0.509 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.8 | -43.4 | 173.9 | 168.5 | 0 | 0 | 0 | 0 | 111.5 | K852 E853 S858 M859 K860 | K852-V856 WeakPolarHBondContact O-CG2 3.21Å; K852-V856 PolarHBondContact O-N 2.96Å; E853-V856 PolarHBondContact O-N 2.9Å; V856-S858 VanDerWaalsContact C-N 3.33Å; V856-S858 PolarHBondContact O-N 2.88Å; V856-M859 HydrophobicContact CG2-CE 4.32Å; V856-M859 PolarHBondContact O-N 3.46Å; V856-K860 WeakPolarHBondContact O-CB 3.35Å; V856-K860 PolarHBondContact O-N 2.88Å |
| 857 | N | 75.3 | Confident | 74 | Confident | 95 Ų | 95 | 100.5 Ų | 100.5 | 51% | 0.508 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.3 | -37.6 | 177.5 | -73.3 | -36.4 | 0 | 0 | 0 | 112.2 | E853 E854 K860 A861 | E853-N857 WeakPolarHBondContact O-CB 3.39Å; E853-N857 VanDerWaalsContact O-CG 3.3Å; E853-N857 PolarHBondContact O-N 3.08Å; E853-N857 PolarHBondContact O-ND2 2.99Å; E853-N857 VanDerWaalsContact O-ND2 3.1Å; E854-N857 PolarHBondContact O-N 3.46Å; N857-K860 PolarHBondContact O-N 3.38Å; N857-A861 PolarHBondContact O-N 3.34Å |
| 858 | S | 76 | Confident | 73.2 | Confident | 83 Ų | 83 | 103.9 Ų | 103.9 | 58% | 0.58 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64 | -45.9 | 173.4 | -174.9 | 0 | 0 | 0 | 0 | 112.5 | E854 V856 K860 A861 A862 | E854-S858 WeakPolarHBondContact O-CB 3.42Å; E854-S858 PolarHBondContact O-N 3.01Å; V856-S858 VanDerWaalsContact C-N 3.33Å; V856-S858 PolarHBondContact O-N 2.88Å; S858-K860 VanDerWaalsContact C-N 3.33Å; S858-K860 PolarHBondContact O-N 3.48Å; S858-A861 PolarHBondContact O-N 3.03Å; S858-A862 PolarHBondContact O-N 3.45Å |
| 859 | M | 72.5 | Confident | 71.7 | Confident | 110 Ų | 110 | 102.2 Ų | 102.2 | 54% | 0.542 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.6 | -39.8 | 174 | -72.5 | -168.4 | -56.8 | 0 | 0 | 112.4 | Q855 V856 A862 L863 | Q855-M859 WeakPolarHBondContact O-CG 3.35Å; Q855-M859 PolarHBondContact O-N 3.46Å; Q855-M859 VanDerWaalsContact O-N 3.08Å; V856-M859 HydrophobicContact CG2-CE 4.32Å; V856-M859 PolarHBondContact O-N 3.46Å; M859-A862 PolarHBondContact O-N 2.89Å; M859-L863 WeakPolarHBondContact O-CG 3.45Å; M859-L863 PolarHBondContact O-N 2.87Å |
| 860 | K | 77.4 | Confident | 70.6 | Confident | 121 Ų | 121 | 101.6 Ų | 101.6 | 53% | 0.526 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 178 | -172.3 | 178.4 | 177.2 | -174.4 | 0 | 111.7 | V856 N857 S858 A862 L863 E864 | V856-K860 WeakPolarHBondContact O-CB 3.35Å; V856-K860 PolarHBondContact O-N 2.88Å; N857-K860 PolarHBondContact O-N 3.38Å; S858-K860 VanDerWaalsContact C-N 3.33Å; S858-K860 PolarHBondContact O-N 3.48Å; K860-A862 PolarHBondContact O-N 2.98Å; K860-L863 PolarHBondContact O-N 3.46Å; K860-E864 WeakPolarHBondContact CE-OE1 3.49Å; K860-E864 WeakPolarHBondContact O-CG 3.36Å; K860-E864 PolarHBondContact O-N 2.91Å |
| 861 | A | 73.1 | Confident | 69.1 | Low | 55 Ų | 55 | 105.5 Ų | 105.5 | 46% | 0.455 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | N857 S858 L863 E864 D865 | N857-A861 PolarHBondContact O-N 3.34Å; S858-A861 PolarHBondContact O-N 3.03Å; A861-L863 VanDerWaalsContact C-N 3.34Å; A861-L863 PolarHBondContact O-N 3.25Å; A861-E864 PolarHBondContact O-N 3.24Å; A861-D865 PolarHBondContact O-N 2.95Å |
| 862 | A | 73.1 | Confident | 67.7 | Low | 61 Ų | 61 | 107 Ų | 107 | 50% | 0.504 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.1 | -33.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S858 M859 K860 R866 | S858-A862 PolarHBondContact O-N 3.45Å; M859-A862 PolarHBondContact O-N 2.89Å; K860-A862 PolarHBondContact O-N 2.98Å; A862-R866 PolarHBondContact O-N 3.33Å; A862-R866 VanDerWaalsContact O-N 3.13Å |
| 863 | L | 70.3 | Confident | 66.3 | Low | 108 Ų | 108 | 110.2 Ų | 110.2 | 57% | 0.565 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -71.1 | -44.7 | 173.2 | -72.5 | 169.3 | 0 | 0 | 0 | 111.7 | M859 K860 A861 D865 R866 D867 | M859-L863 WeakPolarHBondContact O-CG 3.45Å; M859-L863 PolarHBondContact O-N 2.87Å; K860-L863 PolarHBondContact O-N 3.46Å; A861-L863 VanDerWaalsContact C-N 3.34Å; A861-L863 PolarHBondContact O-N 3.25Å; L863-D865 PolarHBondContact O-N 3.43Å; L863-R866 PolarHBondContact O-N 2.9Å; L863-D867 WeakPolarHBondContact O-CB 3.37Å; L863-D867 PolarHBondContact O-N 3.16Å |
| 864 | E | 71.8 | Confident | 64.6 | Low | 98 Ų | 98 | 107.3 Ų | 107.3 | 46% | 0.458 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.6 | -30.2 | 175.9 | -73.5 | 177.5 | -167.5 | 0 | 0 | 112.6 | K860 A861 R868 | K860-E864 WeakPolarHBondContact CE-OE1 3.49Å; K860-E864 WeakPolarHBondContact O-CG 3.36Å; K860-E864 PolarHBondContact O-N 2.91Å; A861-E864 PolarHBondContact O-N 3.24Å; E864-R868 PolarHBondContact O-N 2.9Å; E864-R868 VanDerWaalsContact O-N 3.14Å |
| 865 | D | 66.8 | Low | 62.6 | Low | 94 Ų | 94 | 108.1 Ų | 108.1 | 50% | 0.503 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -78.1 | -38.2 | 175.1 | -132.7 | 41.5 | 0 | 0 | 0 | 113 | A861 L863 D867 R868 D869 | A861-D865 PolarHBondContact O-N 2.95Å; L863-D865 PolarHBondContact O-N 3.43Å; D865-D867 VanDerWaalsContact C-N 3.29Å; D865-D867 PolarHBondContact O-N 2.91Å; D865-R868 WeakPolarHBondContact O-CB 3.35Å; D865-R868 PolarHBondContact O-N 3.41Å; D865-R868 VanDerWaalsContact O-N 3.15Å; D865-R868 IonicContact OD1-CZ 2.66Å; D865-R868 IonicContact OD1-NE 2.66Å; D865-R868 PolarHBondContact OD1-NE 3.49Å; D865-R868 IonicContact OD1-NH2 2.84Å; D865-R868 PolarHBondContact OD1-NH2 3.29Å; D865-D869 WeakPolarHBondContact O-CB 3.27Å; D865-D869 PolarHBondContact O-N 3.23Å |
| 866 | R | 66.2 | Low | 60.3 | Low | 166 Ų | 166 | 109.6 Ų | 109.6 | 63% | 0.626 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -58.6 | -40.5 | 167.8 | -100.2 | 177.4 | 62.3 | 102.9 | -3.6 | 112.1 | A862 L863 R868 D869 L870 | A862-R866 PolarHBondContact O-N 3.33Å; A862-R866 VanDerWaalsContact O-N 3.13Å; L863-R866 PolarHBondContact O-N 2.9Å; R866-R868 VanDerWaalsContact C-N 3.28Å; R866-R868 PolarHBondContact O-N 2.88Å; R866-D869 PolarHBondContact O-N 3.39Å; R866-L870 WeakPolarHBondContact O-CB 3.42Å; R866-L870 VanDerWaalsContact O-CG 3.3Å; R866-L870 WeakPolarHBondContact O-CG 3.15Å; R866-L870 PolarHBondContact O-N 2.91Å |
| 867 | D | 54.8 | Low | 58.1 | Low | 86 Ų | 86 | 110.1 Ų | 110.1 | 46% | 0.46 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -76.1 | -12.2 | 178.2 | -84.1 | 0.9 | 0 | 0 | 0 | 114 | L863 D865 R871 | L863-D867 WeakPolarHBondContact O-CB 3.37Å; L863-D867 PolarHBondContact O-N 3.16Å; D865-D867 VanDerWaalsContact C-N 3.29Å; D865-D867 PolarHBondContact O-N 2.91Å; D867-R871 PolarHBondContact O-NE 2.78Å; D867-R871 PolarHBondContact O-NH2 3.29Å |
| 868 | R | 61.4 | Low | 56.2 | Low | 152 Ų | 152 | 114.3 Ų | 114.3 | 57% | 0.574 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -79.6 | -49.7 | 162.2 | -106.5 | -173 | -66.1 | -86.2 | -5.1 | 110.6 | E864 D865 R866 L870 R871 G872 | E864-R868 PolarHBondContact O-N 2.9Å; E864-R868 VanDerWaalsContact O-N 3.14Å; D865-R868 WeakPolarHBondContact O-CB 3.35Å; D865-R868 PolarHBondContact O-N 3.41Å; D865-R868 VanDerWaalsContact O-N 3.15Å; D865-R868 IonicContact OD1-CZ 2.66Å; D865-R868 IonicContact OD1-NE 2.66Å; D865-R868 PolarHBondContact OD1-NE 3.49Å; D865-R868 IonicContact OD1-NH2 2.84Å; D865-R868 PolarHBondContact OD1-NH2 3.29Å; R866-R868 VanDerWaalsContact C-N 3.28Å; R866-R868 PolarHBondContact O-N 2.88Å; R868-L870 PolarHBondContact O-N 3.47Å; R868-R871 WeakPolarHBondContact O-CB 3.18Å; R868-R871 PolarHBondContact O-N 3.27Å; R868-G872 PolarHBondContact O-N 2.85Å |
| 869 | D | 52.4 | Low | 54.2 | Low | 87 Ų | 87 | 115.9 Ų | 115.9 | 47% | 0.465 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -70 | -33.5 | -172.1 | -164.5 | 53.3 | 0 | 0 | 0 | 113 | D865 R866 R871 G872 R873 | D865-D869 WeakPolarHBondContact O-CB 3.27Å; D865-D869 PolarHBondContact O-N 3.23Å; R866-D869 PolarHBondContact O-N 3.39Å; D869-R871 VanDerWaalsContact C-N 3.3Å; D869-R871 PolarHBondContact O-N 2.96Å; D869-G872 PolarHBondContact O-N 2.88Å; D869-R873 IonicContact OD1-CZ 3.29Å; D869-R873 IonicContact OD1-NH2 3.65Å; D869-R873 PolarHBondContact OD1-NH2 3.39Å; D869-R873 IonicContact OD2-CZ 2.84Å; D869-R873 IonicContact OD2-NE 3.69Å; D869-R873 IonicContact OD2-NH2 2.6Å; D869-R873 PolarHBondContact OD2-NH2 2.93Å |
| 870 | L | 52.4 | Low | 52 | Low | 110 Ų | 110 | 116.2 Ų | 116.2 | 58% | 0.576 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -67.5 | -28.8 | 169.7 | -72 | 170.7 | 0 | 0 | 0 | 112.8 | R866 R868 | R866-L870 WeakPolarHBondContact O-CB 3.42Å; R866-L870 VanDerWaalsContact O-CG 3.3Å; R866-L870 WeakPolarHBondContact O-CG 3.15Å; R866-L870 PolarHBondContact O-N 2.91Å; R868-L870 PolarHBondContact O-N 3.47Å |
| 871 | R | 49.9 | Very low | 50.2 | Low | 199 Ų | 199 | 115.4 Ų | 115.4 | 75% | 0.751 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -78.7 | -24.2 | 179.5 | -137.3 | 174.4 | -56.8 | -113.2 | -5.6 | 112.8 | D867 R868 D869 | D867-R871 PolarHBondContact O-NE 2.78Å; D867-R871 PolarHBondContact O-NH2 3.29Å; R868-R871 WeakPolarHBondContact O-CB 3.18Å; R868-R871 PolarHBondContact O-N 3.27Å; D869-R871 VanDerWaalsContact C-N 3.3Å; D869-R871 PolarHBondContact O-N 2.96Å |
| 872 | G | 49.4 | Very low | 48.5 | Very low | 69 Ų | 69 | 118.2 Ų | 118.2 | 71% | 0.711 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -83.5 | -14.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114.8 | R868 D869 | R868-G872 PolarHBondContact O-N 2.85Å; D869-G872 PolarHBondContact O-N 2.88Å |
| 873 | R | 46.7 | Very low | 47.5 | Very low | 186 Ų | 186 | 121.1 Ų | 121.1 | 70% | 0.702 | 68% | 0.675 | S | S | * | * | trans | -103.7 | 27.6 | -166.3 | -136.1 | 175.1 | -75.8 | -106.5 | 6.6 | 114.2 | D869 | D869-R873 IonicContact OD1-CZ 3.29Å; D869-R873 IonicContact OD1-NH2 3.65Å; D869-R873 PolarHBondContact OD1-NH2 3.39Å; D869-R873 IonicContact OD2-CZ 2.84Å; D869-R873 IonicContact OD2-NE 3.69Å; D869-R873 IonicContact OD2-NH2 2.6Å; D869-R873 PolarHBondContact OD2-NH2 2.93Å | ||
| 874 | G | 39.3 | Very low | 46.2 | Very low | 65 Ų | 65 | 121.4 Ų | 121.4 | 67% | 0.67 | 67% | 0.673 | S | S | * | * | trans | -101.2 | 9 | -165.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 875 | T | 34.9 | Very low | 44.9 | Very low | 136 Ų | 136 | 124 Ų | 124 | 83% | 0.834 | 68% | 0.684 | S | S | * | * | trans | -151.9 | 87.3 | 179.1 | 47.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 876 | C | 27.7 | Very low | 44 | Very low | 137 Ų | 137 | 127.8 Ų | 127.8 | 93% | 0.926 | 70% | 0.698 | S | S | * | * | trans | 173.3 | 146.7 | 152.7 | -117.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 877 | A | 28.7 | Very low | 43.4 | Very low | 95 Ų | 95 | 125.9 Ų | 125.9 | 79% | 0.785 | 70% | 0.696 | S | S | * | * | cis | -151.7 | 178.4 | -2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 878 | Q | 34.7 | Very low | 43.3 | Very low | 182 Ų | 182 | 125.2 Ų | 125.2 | 85% | 0.85 | 69% | 0.692 | S | S | * | * | trans | -122.3 | 174.1 | -179 | 97.1 | -173.4 | 53.2 | 0 | 0 | 112.3 | ||||
| 879 | V | 34 | Very low | 43.4 | Very low | 117 Ų | 117 | 122.4 Ų | 122.4 | 71% | 0.709 | 69% | 0.686 | S | S | * | * | trans | 100.7 | 121.1 | 163.8 | -166 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 880 | C | 28 | Very low | 44 | Very low | 116 Ų | 116 | 121.5 Ų | 121.5 | 78% | 0.784 | 69% | 0.686 | S | S | * | * | trans | 55.2 | 153.4 | 151.4 | -68.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 881 | S | 37.8 | Very low | 45 | Very low | 104 Ų | 104 | 118.8 Ų | 118.8 | 73% | 0.727 | 67% | 0.674 | S | S | * | * | cis | -161.3 | 160.8 | -10.2 | -105.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 882 | T | 38.7 | Very low | 46.2 | Very low | 114 Ų | 114 | 114.6 Ų | 114.6 | 70% | 0.699 | 67% | 0.666 | S | S | * | * | trans | -52.8 | 147.1 | 171.9 | 37.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 883 | P | 52.2 | Low | 47.6 | Very low | 122 Ų | 122 | 117 Ų | 117 | 79% | 0.792 | 66% | 0.657 | S | S | * | * | -136.4 | 111.4 | 50.9 | 35.9 | -17 | 0 | 0 | 0 | 115 | |||||
| 884 | Q | 43.3 | Very low | 49.2 | Very low | 115 Ų | 115 | 114.2 Ų | 114.2 | 54% | 0.537 | 65% | 0.652 | S | S | . | * | trans | -142.3 | 16 | 175.2 | -74.9 | -172.4 | -56.2 | 0 | 0 | 113 | E886 E887 L888 | Q884-E886 PolarHBondContact O-N 3.14Å; Q884-E887 PolarHBondContact O-N 3.29Å; Q884-L888 HydrophobicContact CB-CD1 3.6Å; Q884-L888 HydrophobicContact CB-CG 3.82Å; Q884-L888 WeakPolarHBondContact O-CB 3.47Å; Q884-L888 WeakPolarHBondContact O-CG 3.43Å; Q884-L888 PolarHBondContact O-N 3.39Å | ||
| 885 | F | 43.8 | Very low | 51.1 | Low | 153 Ų | 153 | 117 Ų | 117 | 67% | 0.671 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -63.8 | -33.2 | -158.7 | -149.3 | -94.6 | 0 | 0 | 0 | 115.5 | E889 | F885-E889 WeakPolarHBondContact O-CB 3.38Å; F885-E889 PolarHBondContact O-N 3.38Å |
| 886 | E | 47.3 | Very low | 53.4 | Low | 172 Ų | 172 | 114.1 Ų | 114.1 | 80% | 0.804 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -80.1 | -38.1 | 178.1 | -67.9 | 177.7 | 151.4 | 0 | 0 | 112.9 | Q884 E889 S890 | Q884-E886 PolarHBondContact O-N 3.14Å; E886-E889 PolarHBondContact O-N 3.35Å; E886-S890 PolarHBondContact O-N 2.92Å; E886-S890 VanDerWaalsContact O-N 3.08Å |
| 887 | E | 53.5 | Low | 55.9 | Low | 126 Ų | 126 | 111.7 Ų | 111.7 | 59% | 0.589 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -68.8 | -37.8 | 171.4 | -170.7 | 175.2 | -158.4 | 0 | 0 | 110.6 | Q884 E889 S890 V891 | Q884-E887 PolarHBondContact O-N 3.29Å; E887-E889 VanDerWaalsContact C-N 3.31Å; E887-E889 PolarHBondContact O-N 3.13Å; E887-S890 PolarHBondContact O-N 2.94Å; E887-S890 PolarHBondContact O-OG 2.87Å; E887-V891 HydrophobicContact CG-CG2 4.46Å; E887-V891 WeakPolarHBondContact O-CB 3.5Å; E887-V891 WeakPolarHBondContact O-CG2 3.35Å; E887-V891 PolarHBondContact O-N 3.48Å |
| 888 | L | 53.9 | Low | 58.6 | Low | 73 Ų | 73 | 110.4 Ų | 110.4 | 38% | 0.382 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.7 | -28.5 | 168.5 | -81 | 166.9 | 0 | 0 | 0 | 112.1 | Q884 L892 | Q884-L888 HydrophobicContact CB-CD1 3.6Å; Q884-L888 HydrophobicContact CB-CG 3.82Å; Q884-L888 WeakPolarHBondContact O-CB 3.47Å; Q884-L888 WeakPolarHBondContact O-CG 3.43Å; Q884-L888 PolarHBondContact O-N 3.39Å; L888-L892 WeakPolarHBondContact O-CA 3.4Å; L888-L892 WeakPolarHBondContact O-CB 3.48Å; L888-L892 VanDerWaalsContact O-CD1 3.31Å; L888-L892 WeakPolarHBondContact O-CD1 3.44Å; L888-L892 WeakPolarHBondContact O-CG 3.31Å; L888-L892 PolarHBondContact O-N 3.49Å |
| 889 | E | 63.6 | Low | 60.7 | Low | 92 Ų | 92 | 105.7 Ų | 105.7 | 43% | 0.43 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -75.5 | -37 | 176 | -159.8 | -173.2 | 146.3 | 0 | 0 | 111.6 | F885 E886 E887 K893 | F885-E889 WeakPolarHBondContact O-CB 3.38Å; F885-E889 PolarHBondContact O-N 3.38Å; E886-E889 PolarHBondContact O-N 3.35Å; E887-E889 VanDerWaalsContact C-N 3.31Å; E887-E889 PolarHBondContact O-N 3.13Å; E889-K893 WeakPolarHBondContact O-CB 3.49Å; E889-K893 WeakPolarHBondContact O-CG 3.43Å; E889-K893 PolarHBondContact O-N 2.83Å; E889-K893 IonicContact OE1-NZ 2.78Å; E889-K893 PolarHBondContact OE1-NZ 2.99Å |
| 890 | S | 64.1 | Low | 63.3 | Low | 68 Ų | 68 | 104.6 Ų | 104.6 | 48% | 0.476 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.9 | -45.4 | 172.3 | 73.4 | 0 | 0 | 0 | 0 | 111.4 | E886 E887 K893 E894 | E886-S890 PolarHBondContact O-N 2.92Å; E886-S890 VanDerWaalsContact O-N 3.08Å; E887-S890 PolarHBondContact O-N 2.94Å; E887-S890 PolarHBondContact O-OG 2.87Å; S890-K893 PolarHBondContact O-N 3.34Å; S890-E894 WeakPolarHBondContact O-CB 3.46Å; S890-E894 PolarHBondContact O-N 3.23Å |
| 891 | V | 73.7 | Confident | 66 | Low | 53 Ų | 53 | 105.6 Ų | 105.6 | 32% | 0.321 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.2 | -34.9 | 175 | 172.9 | 0 | 0 | 0 | 0 | 111 | E887 E894 K895 | E887-V891 HydrophobicContact CG-CG2 4.46Å; E887-V891 WeakPolarHBondContact O-CB 3.5Å; E887-V891 WeakPolarHBondContact O-CG2 3.35Å; E887-V891 PolarHBondContact O-N 3.48Å; V891-E894 PolarHBondContact O-N 2.95Å; V891-K895 HydrophobicContact CG1-CG 3.93Å; V891-K895 WeakPolarHBondContact O-CB 3.36Å; V891-K895 WeakPolarHBondContact O-CG 3.37Å; V891-K895 PolarHBondContact O-N 2.76Å |
| 892 | L | 74.7 | Confident | 68.1 | Low | 111 Ų | 111 | 104.8 Ų | 104.8 | 58% | 0.581 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.8 | -43.4 | 171.9 | -80.9 | 164.4 | 0 | 0 | 0 | 110.4 | L888 E894 K895 D896 | L888-L892 WeakPolarHBondContact O-CA 3.4Å; L888-L892 WeakPolarHBondContact O-CB 3.48Å; L888-L892 VanDerWaalsContact O-CD1 3.31Å; L888-L892 WeakPolarHBondContact O-CD1 3.44Å; L888-L892 WeakPolarHBondContact O-CG 3.31Å; L888-L892 PolarHBondContact O-N 3.49Å; L892-E894 VanDerWaalsContact C-N 3.34Å; L892-E894 PolarHBondContact O-N 2.87Å; L892-K895 CarbonylContact O-C 3.49Å; L892-K895 PolarHBondContact O-N 3.14Å; L892-D896 WeakPolarHBondContact O-CA 3.4Å; L892-D896 WeakPolarHBondContact O-CB 3.45Å; L892-D896 PolarHBondContact O-N 3.45Å |
| 893 | K | 79.8 | Confident | 70.3 | Confident | 120 Ų | 120 | 105 Ų | 105 | 52% | 0.522 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.2 | -40.3 | 173.9 | -83.5 | 166.2 | 173.7 | 149.1 | 0 | 112.2 | E889 S890 N897 | E889-K893 WeakPolarHBondContact O-CB 3.49Å; E889-K893 WeakPolarHBondContact O-CG 3.43Å; E889-K893 PolarHBondContact O-N 2.83Å; E889-K893 IonicContact OE1-NZ 2.78Å; E889-K893 PolarHBondContact OE1-NZ 2.99Å; S890-K893 PolarHBondContact O-N 3.34Å; K893-N897 WeakPolarHBondContact O-CB 3.33Å; K893-N897 PolarHBondContact O-N 3.47Å; K893-N897 PolarHBondContact O-ND2 3.39Å |
| 894 | E | 79.5 | Confident | 71.9 | Confident | 127 Ų | 127 | 103.3 Ų | 103.3 | 59% | 0.593 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.3 | -43.3 | 175.6 | -172.8 | 172.1 | -165.5 | 0 | 0 | 111.8 | S890 V891 L892 N897 E898 | S890-E894 WeakPolarHBondContact O-CB 3.46Å; S890-E894 PolarHBondContact O-N 3.23Å; V891-E894 PolarHBondContact O-N 2.95Å; L892-E894 VanDerWaalsContact C-N 3.34Å; L892-E894 PolarHBondContact O-N 2.87Å; E894-N897 PolarHBondContact O-N 3.26Å; E894-E898 WeakPolarHBondContact O-CB 3.49Å; E894-E898 PolarHBondContact O-N 2.93Å |
| 895 | K | 80.3 | Confident | 73.9 | Confident | 125 Ų | 125 | 104.2 Ų | 104.2 | 54% | 0.543 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.3 | -31.7 | 175.2 | -68 | -68.5 | 176.2 | -169.6 | 0 | 112.5 | V891 L892 E898 I899 | V891-K895 HydrophobicContact CG1-CG 3.93Å; V891-K895 WeakPolarHBondContact O-CB 3.36Å; V891-K895 WeakPolarHBondContact O-CG 3.37Å; V891-K895 PolarHBondContact O-N 2.76Å; L892-K895 CarbonylContact O-C 3.49Å; L892-K895 PolarHBondContact O-N 3.14Å; K895-E898 CarbonylContact O-C 3.57Å; K895-E898 PolarHBondContact O-N 3.43Å; K895-I899 VanDerWaalsContact O-CB 3.27Å; K895-I899 WeakPolarHBondContact O-CB 3.44Å; K895-I899 WeakPolarHBondContact O-CD1 3.28Å; K895-I899 WeakPolarHBondContact O-CG1 3.48Å; K895-I899 PolarHBondContact O-N 2.59Å |
| 896 | D | 81.4 | Confident | 75.6 | Confident | 75 Ų | 75 | 102.1 Ų | 102.1 | 40% | 0.401 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -75.7 | -33.1 | 176.7 | -170.1 | 55.9 | 0 | 0 | 0 | 110.9 | L892 K900 | L892-D896 WeakPolarHBondContact O-CA 3.4Å; L892-D896 WeakPolarHBondContact O-CB 3.45Å; L892-D896 PolarHBondContact O-N 3.45Å; D896-K900 WeakPolarHBondContact O-CD 3.49Å; D896-K900 VanDerWaalsContact O-CG 3.27Å; D896-K900 WeakPolarHBondContact O-CG 3.41Å; D896-K900 PolarHBondContact O-N 3.35Å; D896-K900 WeakPolarHBondContact OD2-CE 3.31Å; D896-K900 IonicContact OD2-NZ 3.17Å; D896-K900 PolarHBondContact OD2-NZ 3.48Å |
| 897 | N | 81 | Confident | 77.5 | Confident | 86 Ų | 86 | 101 Ų | 101 | 46% | 0.46 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.9 | -37.4 | 166.7 | -71.1 | -25.5 | 0 | 0 | 0 | 112.1 | K893 E894 K900 R901 | K893-N897 WeakPolarHBondContact O-CB 3.33Å; K893-N897 PolarHBondContact O-N 3.47Å; K893-N897 PolarHBondContact O-ND2 3.39Å; E894-N897 PolarHBondContact O-N 3.26Å; N897-K900 PolarHBondContact O-N 2.86Å; N897-R901 WeakPolarHBondContact O-CG 3.28Å; N897-R901 PolarHBondContact O-N 3.2Å |
| 898 | E | 84.4 | Confident | 79 | Confident | 68 Ų | 68 | 99.2 Ų | 99.2 | 32% | 0.318 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.5 | -37.9 | 173.5 | -165.2 | 60.7 | -160.9 | 0 | 0 | 111.4 | E894 K895 R901 I902 | E894-E898 WeakPolarHBondContact O-CB 3.49Å; E894-E898 PolarHBondContact O-N 2.93Å; K895-E898 CarbonylContact O-C 3.57Å; K895-E898 PolarHBondContact O-N 3.43Å; E898-R901 CarbonylContact O-C 3.57Å; E898-R901 PolarHBondContact O-N 2.9Å; E898-R901 IonicContact OE2-CZ 2.78Å; E898-R901 IonicContact OE2-NE 2.6Å; E898-R901 PolarHBondContact OE2-NE 2.99Å; E898-R901 IonicContact OE2-NH2 2.74Å; E898-R901 PolarHBondContact OE2-NH2 3.28Å; E898-I902 HydrophobicContact CG-CD1 4.08Å; E898-I902 WeakPolarHBondContact O-CB 3.39Å; E898-I902 VanDerWaalsContact O-CG1 3.22Å; E898-I902 WeakPolarHBondContact O-CG1 3.44Å; E898-I902 PolarHBondContact O-N 2.91Å |
| 899 | I | 80.9 | Confident | 80.1 | Confident | 82 Ų | 82 | 99.5 Ų | 99.5 | 42% | 0.421 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.9 | -47.5 | 171.1 | -76.1 | 160.7 | 0 | 0 | 0 | 109.2 | K895 R901 I902 E903 | K895-I899 VanDerWaalsContact O-CB 3.27Å; K895-I899 WeakPolarHBondContact O-CB 3.44Å; K895-I899 WeakPolarHBondContact O-CD1 3.28Å; K895-I899 WeakPolarHBondContact O-CG1 3.48Å; K895-I899 PolarHBondContact O-N 2.59Å; I899-R901 VanDerWaalsContact C-N 3.33Å; I899-R901 PolarHBondContact O-N 3.22Å; I899-I902 CarbonylContact O-C 3.6Å; I899-I902 WeakPolarHBondContact O-CA 3.41Å; I899-I902 PolarHBondContact O-N 2.9Å; I899-E903 HydrophobicContact CG2-CG 4.15Å; I899-E903 WeakPolarHBondContact O-CB 3.5Å; I899-E903 WeakPolarHBondContact O-CG 3.49Å; I899-E903 PolarHBondContact O-N 3.47Å |
| 900 | K | 87 | Confident | 80.9 | Confident | 95 Ų | 95 | 101.1 Ų | 101.1 | 41% | 0.413 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.6 | -38.1 | 174.8 | -71.7 | 160.2 | -160.2 | 157.4 | 0 | 112.9 | D896 N897 I902 E903 V904 | D896-K900 WeakPolarHBondContact O-CD 3.49Å; D896-K900 VanDerWaalsContact O-CG 3.27Å; D896-K900 WeakPolarHBondContact O-CG 3.41Å; D896-K900 PolarHBondContact O-N 3.35Å; D896-K900 WeakPolarHBondContact OD2-CE 3.31Å; D896-K900 IonicContact OD2-NZ 3.17Å; D896-K900 PolarHBondContact OD2-NZ 3.48Å; N897-K900 PolarHBondContact O-N 2.86Å; K900-I902 VanDerWaalsContact C-N 3.35Å; K900-E903 PolarHBondContact O-N 2.88Å; K900-V904 WeakPolarHBondContact O-CG2 3.37Å; K900-V904 PolarHBondContact O-N 2.97Å |
| 901 | R | 84.4 | Confident | 81.8 | Confident | 137 Ų | 137 | 99.9 Ų | 99.9 | 52% | 0.517 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65 | -38.1 | 172.4 | -75.6 | -165.6 | -74.5 | -128.2 | 2.1 | 112 | N897 E898 I899 K905 | N897-R901 WeakPolarHBondContact O-CG 3.28Å; N897-R901 PolarHBondContact O-N 3.2Å; E898-R901 CarbonylContact O-C 3.57Å; E898-R901 PolarHBondContact O-N 2.9Å; E898-R901 IonicContact OE2-CZ 2.78Å; E898-R901 IonicContact OE2-NE 2.6Å; E898-R901 PolarHBondContact OE2-NE 2.99Å; E898-R901 IonicContact OE2-NH2 2.74Å; E898-R901 PolarHBondContact OE2-NH2 3.28Å; I899-R901 VanDerWaalsContact C-N 3.33Å; I899-R901 PolarHBondContact O-N 3.22Å; R901-K905 WeakPolarHBondContact O-CB 3.42Å; R901-K905 VanDerWaalsContact O-CG 3.31Å; R901-K905 WeakPolarHBondContact O-CG 3.21Å; R901-K905 PolarHBondContact O-N 2.74Å; R901-K905 VanDerWaalsContact O-N 3.15Å |
| 902 | I | 83.5 | Confident | 82.4 | Confident | 87 Ų | 87 | 101.3 Ų | 101.3 | 45% | 0.446 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -71 | -41.3 | 175.7 | -71.3 | 165.7 | 0 | 0 | 0 | 110.4 | E898 I899 K900 K905 L906 | E898-I902 HydrophobicContact CG-CD1 4.08Å; E898-I902 WeakPolarHBondContact O-CB 3.39Å; E898-I902 VanDerWaalsContact O-CG1 3.22Å; E898-I902 WeakPolarHBondContact O-CG1 3.44Å; E898-I902 PolarHBondContact O-N 2.91Å; I899-I902 CarbonylContact O-C 3.6Å; I899-I902 WeakPolarHBondContact O-CA 3.41Å; I899-I902 PolarHBondContact O-N 2.9Å; K900-I902 VanDerWaalsContact C-N 3.35Å; I902-K905 CarbonylContact O-C 3.33Å; I902-K905 PolarHBondContact O-N 3.23Å; I902-L906 VanDerWaalsContact O-CB 3.25Å; I902-L906 WeakPolarHBondContact O-CB 3.32Å; I902-L906 PolarHBondContact O-N 3.46Å |
| 903 | E | 83.8 | Confident | 82.6 | Confident | 117 Ų | 117 | 100.9 Ų | 100.9 | 55% | 0.547 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63 | -44 | 177.1 | -77 | 178.7 | 151.2 | 0 | 0 | 111.8 | I899 K900 L906 K907 | I899-E903 HydrophobicContact CG2-CG 4.15Å; I899-E903 WeakPolarHBondContact O-CB 3.5Å; I899-E903 WeakPolarHBondContact O-CG 3.49Å; I899-E903 PolarHBondContact O-N 3.47Å; K900-E903 PolarHBondContact O-N 2.88Å; E903-L906 PolarHBondContact O-N 3.48Å; E903-K907 WeakPolarHBondContact O-CB 3.46Å; E903-K907 PolarHBondContact O-N 3.25Å |
| 904 | V | 86.3 | Confident | 82.8 | Confident | 88 Ų | 88 | 98.2 Ų | 98.2 | 53% | 0.533 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.6 | -48.6 | 173.5 | 171.8 | 0 | 0 | 0 | 0 | 110.1 | K900 L906 K907 D908 | K900-V904 WeakPolarHBondContact O-CG2 3.37Å; K900-V904 PolarHBondContact O-N 2.97Å; V904-L906 VanDerWaalsContact C-N 3.32Å; V904-L906 PolarHBondContact O-N 3.5Å; V904-K907 PolarHBondContact O-N 2.78Å; V904-D908 VanDerWaalsContact O-CG 3.26Å; V904-D908 PolarHBondContact O-N 2.81Å |
| 905 | K | 84.7 | Confident | 83.2 | Confident | 134 Ų | 134 | 97.3 Ų | 97.3 | 58% | 0.583 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.7 | -39.4 | 175 | -74.9 | 174.4 | 179.6 | 176.8 | 0 | 112.7 | R901 I902 K907 D908 T909 | R901-K905 WeakPolarHBondContact O-CB 3.42Å; R901-K905 VanDerWaalsContact O-CG 3.31Å; R901-K905 WeakPolarHBondContact O-CG 3.21Å; R901-K905 PolarHBondContact O-N 2.74Å; R901-K905 VanDerWaalsContact O-N 3.15Å; I902-K905 CarbonylContact O-C 3.33Å; I902-K905 PolarHBondContact O-N 3.23Å; K905-K907 VanDerWaalsContact C-N 3.32Å; K905-D908 PolarHBondContact O-N 3.44Å; K905-T909 WeakPolarHBondContact O-CG2 3.44Å; K905-T909 PolarHBondContact O-N 2.86Å; K905-T909 PolarHBondContact O-OG1 2.71Å; K905-T909 VanDerWaalsContact O-OG1 3.09Å |
| 906 | L | 80 | Confident | 83.3 | Confident | 108 Ų | 108 | 97.7 Ų | 97.7 | 57% | 0.565 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.6 | -43.5 | 179.4 | -152.1 | 93.7 | 0 | 0 | 0 | 109.2 | I902 E903 V904 T909 E910 | I902-L906 VanDerWaalsContact O-CB 3.25Å; I902-L906 WeakPolarHBondContact O-CB 3.32Å; I902-L906 PolarHBondContact O-N 3.46Å; E903-L906 PolarHBondContact O-N 3.48Å; V904-L906 VanDerWaalsContact C-N 3.32Å; V904-L906 PolarHBondContact O-N 3.5Å; L906-T909 WeakPolarHBondContact CA-OG1 3.29Å; L906-T909 CarbonylContact O-C 3.58Å; L906-T909 PolarHBondContact O-N 2.68Å; L906-T909 PolarHBondContact O-OG1 3.05Å; L906-E910 VanDerWaalsContact O-CB 3.23Å; L906-E910 WeakPolarHBondContact O-CB 3.48Å; L906-E910 PolarHBondContact O-N 3.14Å |
| 907 | K | 87.3 | Confident | 83.2 | Confident | 149 Ų | 149 | 97 Ų | 97 | 65% | 0.648 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -68.4 | -38 | 178 | -168.7 | 167.9 | -171.9 | 169.1 | 0 | 112.8 | E903 V904 K905 E910 S911 | E903-K907 WeakPolarHBondContact O-CB 3.46Å; E903-K907 PolarHBondContact O-N 3.25Å; V904-K907 PolarHBondContact O-N 2.78Å; K905-K907 VanDerWaalsContact C-N 3.32Å; K907-E910 PolarHBondContact O-N 2.64Å; K907-S911 WeakPolarHBondContact O-CB 3.23Å; K907-S911 PolarHBondContact O-N 3.4Å |
| 908 | D | 84.9 | Confident | 83.4 | Confident | 89 Ų | 89 | 99.1 Ų | 99.1 | 48% | 0.476 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.1 | -46.8 | 170.9 | -68.7 | -23.8 | 0 | 0 | 0 | 110 | V904 K905 E910 S911 D912 | V904-D908 VanDerWaalsContact O-CG 3.26Å; V904-D908 PolarHBondContact O-N 2.81Å; K905-D908 PolarHBondContact O-N 3.44Å; D908-E910 VanDerWaalsContact C-N 3.34Å; D908-E910 PolarHBondContact O-N 3.16Å; D908-S911 WeakPolarHBondContact O-CB 3.29Å; D908-S911 PolarHBondContact O-N 3.42Å; D908-S911 PolarHBondContact O-OG 2.93Å; D908-D912 WeakPolarHBondContact O-CB 3.31Å; D908-D912 PolarHBondContact O-N 3.27Å |
| 909 | T | 77.7 | Confident | 83.5 | Confident | 79 Ų | 79 | 100.6 Ų | 100.6 | 49% | 0.485 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.6 | -30.5 | 174.8 | 57.8 | 0 | 0 | 0 | 0 | 113.5 | K905 L906 D912 V913 | K905-T909 WeakPolarHBondContact O-CG2 3.44Å; K905-T909 PolarHBondContact O-N 2.86Å; K905-T909 PolarHBondContact O-OG1 2.71Å; K905-T909 VanDerWaalsContact O-OG1 3.09Å; L906-T909 WeakPolarHBondContact CA-OG1 3.29Å; L906-T909 CarbonylContact O-C 3.58Å; L906-T909 PolarHBondContact O-N 2.68Å; L906-T909 PolarHBondContact O-OG1 3.05Å; T909-D912 PolarHBondContact O-N 3.46Å; T909-V913 VanDerWaalsContact O-CB 3.22Å; T909-V913 WeakPolarHBondContact O-CB 3.15Å; T909-V913 WeakPolarHBondContact O-CG2 3.34Å; T909-V913 PolarHBondContact O-N 3.05Å |
| 910 | E | 79.7 | Confident | 83.6 | Confident | 125 Ų | 125 | 101.6 Ų | 101.6 | 58% | 0.584 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -73.4 | -36.8 | 175.9 | -176.2 | 175.7 | -143.3 | 0 | 0 | 110.7 | L906 K907 D908 S914 | L906-E910 VanDerWaalsContact O-CB 3.23Å; L906-E910 WeakPolarHBondContact O-CB 3.48Å; L906-E910 PolarHBondContact O-N 3.14Å; K907-E910 PolarHBondContact O-N 2.64Å; D908-E910 VanDerWaalsContact C-N 3.34Å; D908-E910 PolarHBondContact O-N 3.16Å; E910-S914 WeakPolarHBondContact O-CB 3.49Å; E910-S914 PolarHBondContact O-N 3.41Å; E910-S914 PolarHBondContact O-OG 2.94Å |
| 911 | S | 83.5 | Confident | 83.4 | Confident | 43 Ų | 43 | 103.5 Ų | 103.5 | 30% | 0.301 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.7 | -47.5 | 166.5 | 132.4 | 0 | 0 | 0 | 0 | 110.9 | K907 D908 S914 K915 | K907-S911 WeakPolarHBondContact O-CB 3.23Å; K907-S911 PolarHBondContact O-N 3.4Å; D908-S911 WeakPolarHBondContact O-CB 3.29Å; D908-S911 PolarHBondContact O-N 3.42Å; D908-S911 PolarHBondContact O-OG 2.93Å; S911-S914 WeakPolarHBondContact O-CB 3.47Å; S911-S914 PolarHBondContact O-N 3.47Å; S911-K915 WeakPolarHBondContact O-CG 3.45Å; S911-K915 PolarHBondContact O-N 3.18Å; S911-K915 VanDerWaalsContact OG-CE 3.25Å; S911-K915 WeakPolarHBondContact OG-CE 3.43Å; S911-K915 PolarHBondContact OG-NZ 2.94Å |
| 912 | D | 85.8 | Confident | 83.3 | Confident | 83 Ų | 83 | 103.3 Ų | 103.3 | 44% | 0.444 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -74.9 | -32 | -176.3 | -69.7 | -10.8 | 0 | 0 | 0 | 112.2 | D908 T909 K915 M916 | D908-D912 WeakPolarHBondContact O-CB 3.31Å; D908-D912 PolarHBondContact O-N 3.27Å; T909-D912 PolarHBondContact O-N 3.46Å; D912-K915 PolarHBondContact O-N 2.85Å; D912-K915 IonicContact OD1-NZ 2.73Å; D912-K915 PolarHBondContact OD1-NZ 2.6Å; D912-M916 WeakPolarHBondContact O-CB 3.4Å; D912-M916 PolarHBondContact O-N 3.31Å |
| 913 | V | 78.3 | Confident | 83.3 | Confident | 101 Ų | 101 | 102.3 Ų | 102.3 | 61% | 0.612 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.1 | -35.9 | 168 | 166.1 | 0 | 0 | 0 | 0 | 111 | T909 M916 S917 | T909-V913 VanDerWaalsContact O-CB 3.22Å; T909-V913 WeakPolarHBondContact O-CB 3.15Å; T909-V913 WeakPolarHBondContact O-CG2 3.34Å; T909-V913 PolarHBondContact O-N 3.05Å; V913-M916 PolarHBondContact O-N 3.03Å; V913-S917 VanDerWaalsContact O-CB 3.31Å; V913-S917 WeakPolarHBondContact O-CB 3.32Å; V913-S917 PolarHBondContact O-N 3Å |
| 914 | S | 84.3 | Confident | 82.9 | Confident | 65 Ų | 65 | 102.4 Ų | 102.4 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.1 | -47.6 | 173.3 | -62.3 | 0 | 0 | 0 | 0 | 111.4 | E910 S911 M916 S917 E918 | E910-S914 WeakPolarHBondContact O-CB 3.49Å; E910-S914 PolarHBondContact O-N 3.41Å; E910-S914 PolarHBondContact O-OG 2.94Å; S911-S914 WeakPolarHBondContact O-CB 3.47Å; S911-S914 PolarHBondContact O-N 3.47Å; S914-M916 VanDerWaalsContact C-N 3.33Å; S914-M916 PolarHBondContact O-N 3.37Å; S914-S917 CarbonylContact O-C 3.58Å; S914-S917 WeakPolarHBondContact O-CA 3.43Å; S914-S917 WeakPolarHBondContact O-CB 3.17Å; S914-S917 PolarHBondContact O-N 3.35Å; S914-S917 VanDerWaalsContact O-N 3.09Å; S914-E918 PolarHBondContact O-N 2.9Å |
| 915 | K | 87.9 | Confident | 82.7 | Confident | 108 Ų | 108 | 103.4 Ų | 103.4 | 47% | 0.47 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.2 | -42 | 173.6 | -65 | 166.3 | -155.2 | 158.7 | 0 | 111.8 | S911 D912 S917 E918 L919 | S911-K915 WeakPolarHBondContact O-CG 3.45Å; S911-K915 PolarHBondContact O-N 3.18Å; S911-K915 VanDerWaalsContact OG-CE 3.25Å; S911-K915 WeakPolarHBondContact OG-CE 3.43Å; S911-K915 PolarHBondContact OG-NZ 2.94Å; D912-K915 PolarHBondContact O-N 2.85Å; D912-K915 IonicContact OD1-NZ 2.73Å; D912-K915 PolarHBondContact OD1-NZ 2.6Å; K915-S917 VanDerWaalsContact C-N 3.28Å; K915-S917 PolarHBondContact O-N 3.31Å; K915-E918 PolarHBondContact O-N 2.88Å; K915-L919 WeakPolarHBondContact O-CB 3.38Å; K915-L919 PolarHBondContact O-N 3.48Å |
| 916 | M | 82.4 | Confident | 82.4 | Confident | 133 Ų | 133 | 102.7 Ų | 102.7 | 66% | 0.655 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.8 | -36.4 | 175 | -165.8 | 78.4 | 70 | 0 | 0 | 111.3 | D912 V913 S914 L920 | D912-M916 WeakPolarHBondContact O-CB 3.4Å; D912-M916 PolarHBondContact O-N 3.31Å; V913-M916 PolarHBondContact O-N 3.03Å; S914-M916 VanDerWaalsContact C-N 3.33Å; S914-M916 PolarHBondContact O-N 3.37Å; M916-L920 WeakPolarHBondContact O-CB 3.49Å; M916-L920 PolarHBondContact O-N 2.92Å |
| 917 | S | 80.2 | Confident | 82.1 | Confident | 59 Ų | 59 | 102.1 Ų | 102.1 | 41% | 0.413 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -73 | -27.9 | 175 | -177.7 | 0 | 0 | 0 | 0 | 113.4 | V913 S914 K915 K921 | V913-S917 VanDerWaalsContact O-CB 3.31Å; V913-S917 WeakPolarHBondContact O-CB 3.32Å; V913-S917 PolarHBondContact O-N 3Å; S914-S917 CarbonylContact O-C 3.58Å; S914-S917 WeakPolarHBondContact O-CA 3.43Å; S914-S917 WeakPolarHBondContact O-CB 3.17Å; S914-S917 PolarHBondContact O-N 3.35Å; S914-S917 VanDerWaalsContact O-N 3.09Å; K915-S917 VanDerWaalsContact C-N 3.28Å; K915-S917 PolarHBondContact O-N 3.31Å; S917-K921 PolarHBondContact O-N 3.36Å; S917-K921 VanDerWaalsContact O-N 3.12Å |
| 918 | E | 85.3 | Confident | 82 | Confident | 132 Ų | 132 | 100.4 Ų | 100.4 | 62% | 0.617 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -74.4 | -47.2 | 171.3 | -76.7 | -177.1 | 143.2 | 0 | 0 | 111 | S914 K915 L920 K921 E922 | S914-E918 PolarHBondContact O-N 2.9Å; K915-E918 PolarHBondContact O-N 2.88Å; E918-L920 VanDerWaalsContact C-N 3.28Å; E918-L920 PolarHBondContact O-N 3.42Å; E918-K921 CarbonylContact O-C 3.46Å; E918-K921 WeakPolarHBondContact O-CA 3.14Å; E918-K921 WeakPolarHBondContact O-CB 3.45Å; E918-K921 PolarHBondContact O-N 3.18Å; E918-E922 PolarHBondContact O-N 3Å |
| 919 | L | 86.3 | Confident | 81.7 | Confident | 98 Ų | 98 | 102.7 Ų | 102.7 | 51% | 0.513 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58 | -39.2 | 170.7 | -80.2 | 163.8 | 0 | 0 | 0 | 112.1 | K915 K921 E922 V923 | K915-L919 WeakPolarHBondContact O-CB 3.38Å; K915-L919 PolarHBondContact O-N 3.48Å; L919-K921 VanDerWaalsContact C-N 3.32Å; L919-K921 PolarHBondContact O-N 2.95Å; L919-E922 PolarHBondContact O-N 3.43Å; L919-V923 WeakPolarHBondContact O-CB 3.38Å; L919-V923 VanDerWaalsContact O-CG2 3.28Å; L919-V923 WeakPolarHBondContact O-CG2 3.49Å; L919-V923 PolarHBondContact O-N 3.04Å |
| 920 | L | 82.8 | Confident | 81.7 | Confident | 104 Ų | 104 | 102.3 Ų | 102.3 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.5 | -34.1 | 174.9 | -170.8 | 69.9 | 0 | 0 | 0 | 111.9 | M916 E918 Q924 | M916-L920 WeakPolarHBondContact O-CB 3.49Å; M916-L920 PolarHBondContact O-N 2.92Å; E918-L920 VanDerWaalsContact C-N 3.28Å; E918-L920 PolarHBondContact O-N 3.42Å; L920-Q924 VanDerWaalsContact O-CB 3.27Å; L920-Q924 WeakPolarHBondContact O-CB 3.27Å; L920-Q924 VanDerWaalsContact O-CG 3.29Å; L920-Q924 WeakPolarHBondContact O-CG 3.37Å; L920-Q924 PolarHBondContact O-N 3.37Å |
| 921 | K | 83.1 | Confident | 81.7 | Confident | 135 Ų | 135 | 104 Ų | 104 | 59% | 0.587 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.9 | -43.6 | 172.3 | -88.9 | 178.8 | 176.6 | 173.4 | 0 | 112 | S917 E918 L919 Q924 E925 | S917-K921 PolarHBondContact O-N 3.36Å; S917-K921 VanDerWaalsContact O-N 3.12Å; E918-K921 CarbonylContact O-C 3.46Å; E918-K921 WeakPolarHBondContact O-CA 3.14Å; E918-K921 WeakPolarHBondContact O-CB 3.45Å; E918-K921 PolarHBondContact O-N 3.18Å; L919-K921 VanDerWaalsContact C-N 3.32Å; L919-K921 PolarHBondContact O-N 2.95Å; K921-Q924 PolarHBondContact O-N 3.5Å; K921-E925 PolarHBondContact O-N 3.05Å |
| 922 | E | 82.5 | Confident | 81.3 | Confident | 133 Ų | 133 | 105.9 Ų | 105.9 | 62% | 0.621 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.2 | -49.5 | 174.2 | -73.5 | -173.5 | 143.3 | 0 | 0 | 110.4 | E918 L919 Q924 E925 E926 | E918-E922 PolarHBondContact O-N 3Å; L919-E922 PolarHBondContact O-N 3.43Å; E922-Q924 VanDerWaalsContact C-N 3.26Å; E922-Q924 PolarHBondContact O-N 2.91Å; E922-E925 PolarHBondContact O-N 2.9Å; E922-E926 VanDerWaalsContact O-CB 3.25Å; E922-E926 WeakPolarHBondContact O-CB 3.45Å; E922-E926 PolarHBondContact O-N 3.5Å |
| 923 | V | 81.9 | Confident | 80.7 | Confident | 66 Ų | 66 | 107 Ų | 107 | 40% | 0.4 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.6 | -31.2 | 175.2 | 171.5 | 0 | 0 | 0 | 0 | 112 | L919 N927 | L919-V923 WeakPolarHBondContact O-CB 3.38Å; L919-V923 VanDerWaalsContact O-CG2 3.28Å; L919-V923 WeakPolarHBondContact O-CG2 3.49Å; L919-V923 PolarHBondContact O-N 3.04Å; V923-N927 VanDerWaalsContact O-CB 3.23Å; V923-N927 WeakPolarHBondContact O-CB 3.48Å; V923-N927 PolarHBondContact O-N 3.48Å; V923-N927 PolarHBondContact O-ND2 2.86Å |
| 924 | Q | 76 | Confident | 80.1 | Confident | 118 Ų | 118 | 107.3 Ų | 107.3 | 55% | 0.551 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -70.6 | -45.6 | 172.9 | -87.2 | -174.1 | -36 | 0 | 0 | 112.6 | L920 K921 E922 N927 K928 | L920-Q924 VanDerWaalsContact O-CB 3.27Å; L920-Q924 WeakPolarHBondContact O-CB 3.27Å; L920-Q924 VanDerWaalsContact O-CG 3.29Å; L920-Q924 WeakPolarHBondContact O-CG 3.37Å; L920-Q924 PolarHBondContact O-N 3.37Å; K921-Q924 PolarHBondContact O-N 3.5Å; E922-Q924 VanDerWaalsContact C-N 3.26Å; E922-Q924 PolarHBondContact O-N 2.91Å; Q924-N927 PolarHBondContact O-N 2.94Å; Q924-K928 VanDerWaalsContact O-CB 3.27Å; Q924-K928 WeakPolarHBondContact O-CB 3.36Å; Q924-K928 PolarHBondContact O-N 3.34Å |
| 925 | E | 81.6 | Confident | 79.1 | Confident | 110 Ų | 110 | 107.4 Ų | 107.4 | 51% | 0.514 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -70.8 | -31.9 | 177 | -67.7 | -61.8 | 137.7 | 0 | 0 | 111.6 | K921 E922 K928 F929 | K921-E925 PolarHBondContact O-N 3.05Å; E922-E925 PolarHBondContact O-N 2.9Å; E925-K928 CarbonylContact O-C 3.58Å; E925-K928 WeakPolarHBondContact O-CB 3.25Å; E925-K928 PolarHBondContact O-N 2.99Å; E925-K928 IonicContact OE1-NZ 2.7Å; E925-K928 PolarHBondContact OE1-NZ 2.87Å; E925-K928 WeakPolarHBondContact OE2-CD 3.26Å; E925-K928 IonicContact OE2-NZ 3.13Å; E925-K928 PolarHBondContact OE2-NZ 3.49Å; E925-F929 WeakPolarHBondContact O-CB 3.28Å; E925-F929 PolarHBondContact O-N 2.86Å |
| 926 | E | 79.3 | Confident | 77.7 | Confident | 119 Ų | 119 | 108.1 Ų | 108.1 | 56% | 0.556 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.9 | -42.1 | 170.1 | -168.7 | 177.2 | -138.3 | 0 | 0 | 111.2 | E922 K928 F929 L930 | E922-E926 VanDerWaalsContact O-CB 3.25Å; E922-E926 WeakPolarHBondContact O-CB 3.45Å; E922-E926 PolarHBondContact O-N 3.5Å; E926-K928 VanDerWaalsContact C-N 3.27Å; E926-K928 PolarHBondContact O-N 3.07Å; E926-F929 PolarHBondContact O-N 3.18Å; E926-L930 HydrophobicContact CG-CD1 4.25Å; E926-L930 WeakPolarHBondContact O-CB 3.37Å; E926-L930 VanDerWaalsContact O-CG 3.28Å; E926-L930 WeakPolarHBondContact O-CG 3.34Å; E926-L930 PolarHBondContact O-N 2.91Å |
| 927 | N | 72.5 | Confident | 76.5 | Confident | 95 Ų | 95 | 106.9 Ų | 106.9 | 51% | 0.508 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.7 | -35.5 | 169.5 | -94 | -85.8 | 0 | 0 | 0 | 112.3 | V923 Q924 K931 | V923-N927 VanDerWaalsContact O-CB 3.23Å; V923-N927 WeakPolarHBondContact O-CB 3.48Å; V923-N927 PolarHBondContact O-N 3.48Å; V923-N927 PolarHBondContact O-ND2 2.86Å; Q924-N927 PolarHBondContact O-N 2.94Å; N927-K931 WeakPolarHBondContact O-CB 3.26Å; N927-K931 PolarHBondContact O-N 2.96Å |
| 928 | K | 85.1 | Confident | 75.2 | Confident | 114 Ų | 114 | 111.3 Ų | 111.3 | 50% | 0.496 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -70.9 | -39.6 | 177.9 | -160.3 | -171.4 | -169.2 | -177.6 | 0 | 110.5 | Q924 E925 E926 K931 C932 | Q924-K928 VanDerWaalsContact O-CB 3.27Å; Q924-K928 WeakPolarHBondContact O-CB 3.36Å; Q924-K928 PolarHBondContact O-N 3.34Å; E925-K928 CarbonylContact O-C 3.58Å; E925-K928 WeakPolarHBondContact O-CB 3.25Å; E925-K928 PolarHBondContact O-N 2.99Å; E925-K928 IonicContact OE1-NZ 2.7Å; E925-K928 PolarHBondContact OE1-NZ 2.87Å; E925-K928 WeakPolarHBondContact OE2-CD 3.26Å; E925-K928 IonicContact OE2-NZ 3.13Å; E925-K928 PolarHBondContact OE2-NZ 3.49Å; E926-K928 VanDerWaalsContact C-N 3.27Å; E926-K928 PolarHBondContact O-N 3.07Å; K928-K931 PolarHBondContact O-N 3.38Å; K928-C932 WeakPolarHBondContact O-CB 3.32Å; K928-C932 PolarHBondContact O-N 3.31Å; K928-C932 PolarHBondContact O-SG 2.77Å; K928-C932 VanDerWaalsContact O-SG 3.35Å |
| 929 | F | 78.8 | Confident | 73.7 | Confident | 136 Ų | 136 | 112 Ų | 112 | 60% | 0.596 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.5 | -50.2 | 171.3 | -179.8 | -99 | 0 | 0 | 0 | 111.5 | E925 E926 K931 C932 Q933 | E925-F929 WeakPolarHBondContact O-CB 3.28Å; E925-F929 PolarHBondContact O-N 2.86Å; E926-F929 PolarHBondContact O-N 3.18Å; F929-K931 VanDerWaalsContact C-N 3.28Å; F929-K931 PolarHBondContact O-N 3.4Å; F929-C932 CarbonylContact O-C 3.59Å; F929-C932 WeakPolarHBondContact O-CB 3.34Å; F929-C932 PolarHBondContact O-N 2.92Å; F929-C932 VanDerWaalsContact O-N 3.15Å; F929-Q933 WeakPolarHBondContact O-CB 3.45Å; F929-Q933 PolarHBondContact O-N 2.88Å |
| 930 | L | 78.4 | Confident | 71.9 | Confident | 71 Ų | 71 | 113 Ų | 113 | 37% | 0.372 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.8 | -34.7 | 174.1 | -72.7 | 167.7 | 0 | 0 | 0 | 112.1 | E926 Q933 L934 | E926-L930 HydrophobicContact CG-CD1 4.25Å; E926-L930 WeakPolarHBondContact O-CB 3.37Å; E926-L930 VanDerWaalsContact O-CG 3.28Å; E926-L930 WeakPolarHBondContact O-CG 3.34Å; E926-L930 PolarHBondContact O-N 2.91Å; L930-Q933 PolarHBondContact O-N 2.71Å; L930-L934 VanDerWaalsContact O-CB 3.3Å; L930-L934 WeakPolarHBondContact O-CB 3.45Å; L930-L934 WeakPolarHBondContact O-CG 3.45Å; L930-L934 PolarHBondContact O-N 3.31Å |
| 931 | K | 80 | Confident | 70.2 | Confident | 160 Ų | 160 | 114.5 Ų | 114.5 | 70% | 0.696 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -73 | -35 | 175 | -170 | 171.3 | -173.5 | 174.3 | 0 | 112.3 | N927 K928 F929 S935 | N927-K931 WeakPolarHBondContact O-CB 3.26Å; N927-K931 PolarHBondContact O-N 2.96Å; K928-K931 PolarHBondContact O-N 3.38Å; F929-K931 VanDerWaalsContact C-N 3.28Å; F929-K931 PolarHBondContact O-N 3.4Å; K931-S935 WeakPolarHBondContact O-CB 3.42Å; K931-S935 PolarHBondContact O-N 2.93Å |
| 932 | C | 74.2 | Confident | 68.3 | Low | 84 Ų | 84 | 112 Ų | 112 | 57% | 0.568 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.3 | -41.4 | 168 | -75.4 | 0 | 0 | 0 | 0 | 111.5 | K928 F929 S935 H936 | K928-C932 WeakPolarHBondContact O-CB 3.32Å; K928-C932 PolarHBondContact O-N 3.31Å; K928-C932 PolarHBondContact O-SG 2.77Å; K928-C932 VanDerWaalsContact O-SG 3.35Å; F929-C932 CarbonylContact O-C 3.59Å; F929-C932 WeakPolarHBondContact O-CB 3.34Å; F929-C932 PolarHBondContact O-N 2.92Å; F929-C932 VanDerWaalsContact O-N 3.15Å; C932-S935 WeakPolarHBondContact O-CB 3.43Å; C932-S935 PolarHBondContact O-N 3.3Å; C932-H936 WeakPolarHBondContact O-CB 3.34Å; C932-H936 PolarHBondContact O-N 3.47Å |
| 933 | Q | 74.3 | Confident | 66.5 | Low | 106 Ų | 106 | 110.3 Ų | 110.3 | 50% | 0.495 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.2 | -43.9 | 176.5 | -168.4 | 179.6 | 65.2 | 0 | 0 | 111.4 | F929 L930 S935 H936 Q937 | F929-Q933 WeakPolarHBondContact O-CB 3.45Å; F929-Q933 PolarHBondContact O-N 2.88Å; L930-Q933 PolarHBondContact O-N 2.71Å; Q933-S935 PolarHBondContact O-N 3.25Å; Q933-H936 PolarHBondContact O-N 2.92Å; Q933-Q937 WeakPolarHBondContact O-CB 3.21Å; Q933-Q937 PolarHBondContact O-N 3.26Å |
| 934 | L | 66.1 | Low | 64.9 | Low | 107 Ų | 107 | 115 Ų | 115 | 56% | 0.56 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.8 | -39.8 | 170.8 | -85.3 | 163.4 | 0 | 0 | 0 | 112 | L930 H936 Q937 K938 | L930-L934 VanDerWaalsContact O-CB 3.3Å; L930-L934 WeakPolarHBondContact O-CB 3.45Å; L930-L934 WeakPolarHBondContact O-CG 3.45Å; L930-L934 PolarHBondContact O-N 3.31Å; L934-H936 VanDerWaalsContact C-N 3.34Å; L934-Q937 PolarHBondContact O-N 3.29Å; L934-K938 VanDerWaalsContact O-CB 3.3Å; L934-K938 WeakPolarHBondContact O-CB 3.29Å; L934-K938 PolarHBondContact O-N 3.47Å |
| 935 | S | 62.4 | Low | 63.5 | Low | 68 Ų | 68 | 113.6 Ų | 113.6 | 48% | 0.476 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.8 | -37.9 | 175.1 | -166.5 | 0 | 0 | 0 | 0 | 112 | K931 C932 Q933 K938 H939 | K931-S935 WeakPolarHBondContact O-CB 3.42Å; K931-S935 PolarHBondContact O-N 2.93Å; C932-S935 WeakPolarHBondContact O-CB 3.43Å; C932-S935 PolarHBondContact O-N 3.3Å; Q933-S935 PolarHBondContact O-N 3.25Å; S935-K938 PolarHBondContact O-N 2.77Å; S935-H939 PolarHBondContact O-N 3.03Å |
| 936 | H | 59.5 | Low | 62.1 | Low | 123 Ų | 123 | 110.8 Ų | 110.8 | 57% | 0.569 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.5 | -42.1 | 175 | -160.7 | 82.1 | 0 | 0 | 0 | 111.4 | C932 Q933 L934 K938 H939 Q940 | C932-H936 WeakPolarHBondContact O-CB 3.34Å; C932-H936 PolarHBondContact O-N 3.47Å; Q933-H936 PolarHBondContact O-N 2.92Å; L934-H936 VanDerWaalsContact C-N 3.34Å; H936-K938 VanDerWaalsContact C-N 3.31Å; H936-K938 PolarHBondContact O-N 3.38Å; H936-H939 PolarHBondContact O-N 3.5Å; H936-Q940 PolarHBondContact CD2-NE2 3.47Å; H936-Q940 VanDerWaalsContact CD2-NE2 3.28Å; H936-Q940 PolarHBondContact NE2-NE2 2.74Å; H936-Q940 WeakPolarHBondContact O-CG 3.5Å; H936-Q940 PolarHBondContact O-N 2.87Å |
| 937 | Q | 56.9 | Low | 60.9 | Low | 106 Ų | 106 | 112.8 Ų | 112.8 | 50% | 0.495 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.5 | -34.1 | 172.8 | -166.1 | 177.6 | 22.7 | 0 | 0 | 111.8 | Q933 L934 Q940 Q941 | Q933-Q937 WeakPolarHBondContact O-CB 3.21Å; Q933-Q937 PolarHBondContact O-N 3.26Å; L934-Q937 PolarHBondContact O-N 3.29Å; Q937-Q940 PolarHBondContact O-N 3.25Å; Q937-Q941 PolarHBondContact O-N 3.28Å |
| 938 | K | 52.7 | Low | 60.2 | Low | 152 Ų | 152 | 115.2 Ų | 115.2 | 66% | 0.661 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -71.4 | -34.2 | 174.2 | -142.5 | 176.2 | -171.3 | -176.6 | 0 | 112.5 | L934 S935 H936 Q941 A942 | L934-K938 VanDerWaalsContact O-CB 3.3Å; L934-K938 WeakPolarHBondContact O-CB 3.29Å; L934-K938 PolarHBondContact O-N 3.47Å; S935-K938 PolarHBondContact O-N 2.77Å; H936-K938 VanDerWaalsContact C-N 3.31Å; H936-K938 PolarHBondContact O-N 3.38Å; K938-Q941 PolarHBondContact O-N 3.07Å; K938-A942 WeakPolarHBondContact O-CB 3.45Å; K938-A942 PolarHBondContact O-N 3.03Å |
| 939 | H | 52.7 | Low | 59.2 | Low | 147 Ų | 147 | 114.6 Ų | 114.6 | 68% | 0.681 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -68.5 | -36.1 | 168.8 | -97.7 | 69.7 | 0 | 0 | 0 | 112.2 | S935 H936 A942 S943 | S935-H939 PolarHBondContact O-N 3.03Å; H936-H939 PolarHBondContact O-N 3.5Å; H939-A942 PolarHBondContact O-N 3.03Å; H939-S943 PolarHBondContact O-N 2.99Å |
| 940 | Q | 49.4 | Very low | 58.9 | Low | 119 Ų | 119 | 113.4 Ų | 113.4 | 56% | 0.556 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -70.1 | -33.2 | 172.3 | -70.5 | 178.9 | 5.5 | 0 | 0 | 112.5 | H936 Q937 S943 | H936-Q940 PolarHBondContact CD2-NE2 3.47Å; H936-Q940 VanDerWaalsContact CD2-NE2 3.28Å; H936-Q940 PolarHBondContact NE2-NE2 2.74Å; H936-Q940 WeakPolarHBondContact O-CG 3.5Å; H936-Q940 PolarHBondContact O-N 2.87Å; Q937-Q940 PolarHBondContact O-N 3.25Å; Q940-S943 VanDerWaalsContact O-CB 3.31Å; Q940-S943 WeakPolarHBondContact O-CB 3.32Å; Q940-S943 PolarHBondContact O-N 3.07Å |
| 941 | Q | 45.8 | Very low | 58.6 | Low | 135 Ų | 135 | 116 Ų | 116 | 63% | 0.631 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -73.8 | -26.1 | 171.4 | -86.8 | -175.3 | -28.8 | 0 | 0 | 113.7 | Q937 K938 S943 F944 | Q937-Q941 PolarHBondContact O-N 3.28Å; K938-Q941 PolarHBondContact O-N 3.07Å; Q941-S943 PolarHBondContact O-N 3.03Å; Q941-F944 PolarHBondContact O-N 3.37Å |
| 942 | A | 43.5 | Very low | 58.4 | Low | 82 Ų | 82 | 112 Ų | 112 | 68% | 0.678 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | 2.9 | 169 | 0 | 0 | 0 | 0 | 0 | 113.4 | K938 H939 | K938-A942 WeakPolarHBondContact O-CB 3.45Å; K938-A942 PolarHBondContact O-N 3.03Å; H939-A942 PolarHBondContact O-N 3.03Å |
| 943 | S | 45.8 | Very low | 58.7 | Low | 99 Ų | 99 | 111.4 Ų | 111.4 | 69% | 0.692 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | 6 | 173.1 | -169.7 | 0 | 0 | 0 | 0 | 113.4 | H939 Q940 Q941 | H939-S943 PolarHBondContact O-N 2.99Å; Q940-S943 VanDerWaalsContact O-CB 3.31Å; Q940-S943 WeakPolarHBondContact O-CB 3.32Å; Q940-S943 PolarHBondContact O-N 3.07Å; Q941-S943 PolarHBondContact O-N 3.03Å |
| 944 | F | 47.5 | Very low | 58.9 | Low | 163 Ų | 163 | 110.4 Ų | 110.4 | 72% | 0.715 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -78.6 | 140 | 163 | -84 | -88.4 | 0 | 0 | 0 | 109.5 | Q941 | Q941-F944 PolarHBondContact O-N 3.37Š|
| 945 | P | 46.7 | Very low | 59.7 | Low | 89 Ų | 89 | 108.6 Ų | 108.6 | 58% | 0.578 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 143.3 | -177.6 | 24.6 | -34.5 | 0 | 0 | 0 | 110.2 | E949 | P945-E949 WeakPolarHBondContact CA-OE2 3.28Å; P945-E949 HydrophobicContact CB-CB 4.13Å; P945-E949 WeakPolarHBondContact CB-OE2 3.5Å |
| 946 | S | 52.3 | Low | 60.9 | Low | 51 Ų | 51 | 111.7 Ų | 111.7 | 36% | 0.357 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -62.1 | 154.3 | -175.8 | 70.1 | 0 | 0 | 0 | 0 | 110.7 | E948 E949 L950 | S946-E948 PolarHBondContact O-N 3.09Å; S946-E948 WeakPolarHBondContact OG-CB 3.36Å; S946-E949 PolarHBondContact N-OE2 3.45Å; S946-E949 WeakPolarHBondContact O-CB 3.42Å; S946-E949 PolarHBondContact O-N 2.92Å; S946-E949 PolarHBondContact OG-N 3.01Å; S946-L950 PolarHBondContact O-N 3.01Å |
| 947 | Q | 53.3 | Low | 62.2 | Low | 161 Ų | 161 | 110.9 Ų | 110.9 | 75% | 0.752 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -56 | -23.9 | 174 | -174.6 | 173.8 | -17.5 | 0 | 0 | 112.3 | Q951 | Q947-Q951 PolarHBondContact O-N 3.41Å; Q947-Q951 VanDerWaalsContact O-N 3.11Å |
| 948 | E | 59 | Low | 63.6 | Low | 146 Ų | 146 | 111.6 Ų | 111.6 | 68% | 0.682 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -72.5 | -38.2 | 175.2 | -157.8 | 165.5 | -153.8 | 0 | 0 | 112.4 | S946 Q951 T952 | S946-E948 PolarHBondContact O-N 3.09Å; S946-E948 WeakPolarHBondContact OG-CB 3.36Å; E948-Q951 PolarHBondContact O-N 3.47Å; E948-T952 PolarHBondContact O-N 3.36Å; E948-T952 PolarHBondContact O-OG1 2.9Å |
| 949 | E | 64.4 | Low | 65.6 | Low | 102 Ų | 102 | 110.7 Ų | 110.7 | 48% | 0.477 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.2 | -38.8 | 173.1 | -73.7 | 170.2 | 145.9 | 0 | 0 | 111.7 | P945 S946 T952 V953 | P945-E949 WeakPolarHBondContact CA-OE2 3.28Å; P945-E949 HydrophobicContact CB-CB 4.13Å; P945-E949 WeakPolarHBondContact CB-OE2 3.5Å; S946-E949 PolarHBondContact N-OE2 3.45Å; S946-E949 WeakPolarHBondContact O-CB 3.42Å; S946-E949 PolarHBondContact O-N 2.92Å; S946-E949 PolarHBondContact OG-N 3.01Å; E949-T952 VanDerWaalsContact CA-OG1 3.27Å; E949-T952 WeakPolarHBondContact CA-OG1 3.18Å; E949-T952 PolarHBondContact O-N 2.91Å; E949-T952 PolarHBondContact O-OG1 2.74Å; E949-V953 WeakPolarHBondContact O-CG2 3.48Å; E949-V953 PolarHBondContact O-N 2.87Å |
| 950 | L | 71.9 | Confident | 67.5 | Low | 110 Ų | 110 | 108.2 Ų | 108.2 | 58% | 0.576 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.9 | -37.7 | 174.3 | -163.6 | 71.9 | 0 | 0 | 0 | 111.8 | S946 V953 I954 | S946-L950 PolarHBondContact O-N 3.01Å; L950-V953 PolarHBondContact O-N 2.84Å; L950-I954 HydrophobicContact CG-CD1 4.27Å; L950-I954 WeakPolarHBondContact O-CD1 3.41Å; L950-I954 VanDerWaalsContact O-CG1 3.26Å; L950-I954 WeakPolarHBondContact O-CG1 3.49Å; L950-I954 PolarHBondContact O-N 3.4Å |
| 951 | Q | 72.8 | Confident | 69.3 | Low | 127 Ų | 127 | 107.7 Ų | 107.7 | 59% | 0.593 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -68.3 | -35.7 | 174.7 | -83.5 | -176.9 | -70.4 | 0 | 0 | 113.1 | Q947 E948 I954 S955 | Q947-Q951 PolarHBondContact O-N 3.41Å; Q947-Q951 VanDerWaalsContact O-N 3.11Å; E948-Q951 PolarHBondContact O-N 3.47Å; Q951-I954 PolarHBondContact O-N 2.86Å; Q951-S955 WeakPolarHBondContact O-CB 3.45Å; Q951-S955 PolarHBondContact O-N 3.27Å |
| 952 | T | 76.1 | Confident | 71.5 | Confident | 75 Ų | 75 | 104.9 Ų | 104.9 | 46% | 0.46 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.8 | -42.3 | 173.8 | 44.1 | 0 | 0 | 0 | 0 | 111.6 | E948 E949 I954 S955 E956 | E948-T952 PolarHBondContact O-N 3.36Å; E948-T952 PolarHBondContact O-OG1 2.9Å; E949-T952 VanDerWaalsContact CA-OG1 3.27Å; E949-T952 WeakPolarHBondContact CA-OG1 3.18Å; E949-T952 PolarHBondContact O-N 2.91Å; E949-T952 PolarHBondContact O-OG1 2.74Å; T952-I954 PolarHBondContact O-N 3.4Å; T952-S955 PolarHBondContact O-N 3.05Å; T952-E956 WeakPolarHBondContact O-CG 3.36Å; T952-E956 PolarHBondContact O-N 2.95Å |
| 953 | V | 79.1 | Confident | 73.7 | Confident | 72 Ų | 72 | 105.1 Ų | 105.1 | 44% | 0.436 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 174 | 172.1 | 0 | 0 | 0 | 0 | 112.1 | E949 L950 E956 K957 | E949-V953 WeakPolarHBondContact O-CG2 3.48Å; E949-V953 PolarHBondContact O-N 2.87Å; L950-V953 PolarHBondContact O-N 2.84Å; V953-E956 PolarHBondContact O-N 3.42Å; V953-K957 WeakPolarHBondContact O-CB 3.38Å; V953-K957 VanDerWaalsContact O-CG 3.26Å; V953-K957 WeakPolarHBondContact O-CG 3.4Å; V953-K957 PolarHBondContact O-N 2.95Å |
| 954 | I | 79.1 | Confident | 75.9 | Confident | 84 Ų | 84 | 104.7 Ų | 104.7 | 43% | 0.431 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63 | -46.2 | 174 | -70 | 164.7 | 0 | 0 | 0 | 110.4 | L950 Q951 T952 E956 K957 E958 | L950-I954 HydrophobicContact CG-CD1 4.27Å; L950-I954 WeakPolarHBondContact O-CD1 3.41Å; L950-I954 VanDerWaalsContact O-CG1 3.26Å; L950-I954 WeakPolarHBondContact O-CG1 3.49Å; L950-I954 PolarHBondContact O-N 3.4Å; Q951-I954 PolarHBondContact O-N 2.86Å; T952-I954 PolarHBondContact O-N 3.4Å; I954-E956 VanDerWaalsContact C-N 3.35Å; I954-E956 PolarHBondContact O-N 2.94Å; I954-K957 PolarHBondContact O-N 2.86Å; I954-K957 VanDerWaalsContact O-N 3.17Å; I954-E958 HydrophobicContact CG2-CG 4.34Å; I954-E958 WeakPolarHBondContact O-CG 3.3Å; I954-E958 PolarHBondContact O-N 3.38Å |
| 955 | S | 82.9 | Confident | 77.7 | Confident | 70 Ų | 70 | 100.2 Ų | 100.2 | 49% | 0.49 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.1 | -39.6 | 177.1 | 178.3 | 0 | 0 | 0 | 0 | 112.9 | Q951 T952 K959 | Q951-S955 WeakPolarHBondContact O-CB 3.45Å; Q951-S955 PolarHBondContact O-N 3.27Å; T952-S955 PolarHBondContact O-N 3.05Å; S955-K959 WeakPolarHBondContact O-CB 3.48Å; S955-K959 PolarHBondContact O-N 2.91Å |
| 956 | E | 86.8 | Confident | 79.8 | Confident | 132 Ų | 132 | 101 Ų | 101 | 62% | 0.617 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.1 | -39.5 | 174.6 | -75.4 | -175.9 | 158.8 | 0 | 0 | 111.7 | T952 V953 I954 K959 E960 | T952-E956 WeakPolarHBondContact O-CG 3.36Å; T952-E956 PolarHBondContact O-N 2.95Å; V953-E956 PolarHBondContact O-N 3.42Å; I954-E956 VanDerWaalsContact C-N 3.35Å; I954-E956 PolarHBondContact O-N 2.94Å; E956-K959 PolarHBondContact O-N 3.39Å; E956-E960 WeakPolarHBondContact O-CB 3.32Å; E956-E960 PolarHBondContact O-N 3.18Å |
| 957 | K | 88 | Confident | 81.7 | Confident | 107 Ų | 107 | 104.1 Ų | 104.1 | 47% | 0.465 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71.1 | -37.6 | 176.7 | -67.5 | -70.7 | 154.7 | -161.5 | 0 | 112.7 | V953 I954 K959 E960 I961 | V953-K957 WeakPolarHBondContact O-CB 3.38Å; V953-K957 VanDerWaalsContact O-CG 3.26Å; V953-K957 WeakPolarHBondContact O-CG 3.4Å; V953-K957 PolarHBondContact O-N 2.95Å; I954-K957 PolarHBondContact O-N 2.86Å; I954-K957 VanDerWaalsContact O-N 3.17Å; K957-K959 VanDerWaalsContact C-N 3.3Å; K957-K959 PolarHBondContact O-N 2.98Å; K957-E960 WeakPolarHBondContact CD-OE2 3.34Å; K957-E960 WeakPolarHBondContact CE-OE2 3.39Å; K957-E960 IonicContact NZ-OE1 3.87Å; K957-E960 IonicContact NZ-OE2 3.22Å; K957-E960 PolarHBondContact NZ-OE2 3.37Å; K957-E960 PolarHBondContact O-N 2.89Å; K957-I961 WeakPolarHBondContact O-CB 3.29Å; K957-I961 WeakPolarHBondContact O-CD1 3.37Å; K957-I961 WeakPolarHBondContact O-CG1 3.48Å; K957-I961 PolarHBondContact O-N 3.22Å |
| 958 | E | 86.9 | Confident | 83.3 | Confident | 121 Ų | 121 | 102.1 Ų | 102.1 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.2 | -38.7 | 171.4 | -73.9 | 176.5 | 164 | 0 | 0 | 111.7 | I954 T962 | I954-E958 HydrophobicContact CG2-CG 4.34Å; I954-E958 WeakPolarHBondContact O-CG 3.3Å; I954-E958 PolarHBondContact O-N 3.38Å; E958-T962 PolarHBondContact O-N 3.29Å; E958-T962 PolarHBondContact O-OG1 2.92Å |
| 959 | K | 93 | Very high | 84.8 | Confident | 132 Ų | 132 | 99.2 Ų | 99.2 | 57% | 0.574 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.8 | -46.6 | 173.9 | -170.7 | -175 | 172.6 | -166.6 | 0 | 112 | S955 E956 K957 I961 T962 D963 | S955-K959 WeakPolarHBondContact O-CB 3.48Å; S955-K959 PolarHBondContact O-N 2.91Å; E956-K959 PolarHBondContact O-N 3.39Å; K957-K959 VanDerWaalsContact C-N 3.3Å; K957-K959 PolarHBondContact O-N 2.98Å; K959-I961 VanDerWaalsContact C-N 3.3Å; K959-I961 PolarHBondContact O-N 3.34Å; K959-T962 WeakPolarHBondContact CA-OG1 3.5Å; K959-T962 PolarHBondContact O-N 3.39Å; K959-T962 VanDerWaalsContact O-N 3.1Å; K959-T962 PolarHBondContact O-OG1 3.33Å; K959-D963 WeakPolarHBondContact O-CB 3.39Å; K959-D963 PolarHBondContact O-N 3.45Å |
| 960 | E | 93.7 | Very high | 86 | Confident | 96 Ų | 96 | 98 Ų | 98 | 45% | 0.449 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.9 | -39.1 | 176.8 | -167.7 | 175.5 | -149.5 | 0 | 0 | 111.4 | E956 K957 L964 | E956-E960 WeakPolarHBondContact O-CB 3.32Å; E956-E960 PolarHBondContact O-N 3.18Å; K957-E960 WeakPolarHBondContact CD-OE2 3.34Å; K957-E960 WeakPolarHBondContact CE-OE2 3.39Å; K957-E960 IonicContact NZ-OE1 3.87Å; K957-E960 IonicContact NZ-OE2 3.22Å; K957-E960 PolarHBondContact NZ-OE2 3.37Å; K957-E960 PolarHBondContact O-N 2.89Å; E960-L964 HydrophobicContact CG-CD1 4.34Å; E960-L964 WeakPolarHBondContact O-CB 3.41Å; E960-L964 VanDerWaalsContact O-CG 3.22Å; E960-L964 WeakPolarHBondContact O-CG 3.28Å; E960-L964 PolarHBondContact O-N 2.89Å |
| 961 | I | 87.8 | Confident | 86.9 | Confident | 107 Ų | 107 | 97.5 Ų | 97.5 | 55% | 0.549 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 172.6 | -70.8 | 163.7 | 0 | 0 | 0 | 111.3 | K957 K959 L964 C965 | K957-I961 WeakPolarHBondContact O-CB 3.29Å; K957-I961 WeakPolarHBondContact O-CD1 3.37Å; K957-I961 WeakPolarHBondContact O-CG1 3.48Å; K957-I961 PolarHBondContact O-N 3.22Å; K959-I961 VanDerWaalsContact C-N 3.3Å; K959-I961 PolarHBondContact O-N 3.34Å; I961-L964 PolarHBondContact O-N 2.88Å; I961-C965 WeakPolarHBondContact O-CB 3.33Å; I961-C965 PolarHBondContact O-N 3.23Å; I961-C965 PolarHBondContact O-SG 2.79Å |
| 962 | T | 91.1 | Very high | 87.8 | Confident | 77 Ų | 77 | 97 Ų | 97 | 47% | 0.472 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.8 | -38.4 | 178.6 | 29.7 | 0 | 0 | 0 | 0 | 112.4 | E958 K959 C965 N966 | E958-T962 PolarHBondContact O-N 3.29Å; E958-T962 PolarHBondContact O-OG1 2.92Å; K959-T962 WeakPolarHBondContact CA-OG1 3.5Å; K959-T962 PolarHBondContact O-N 3.39Å; K959-T962 VanDerWaalsContact O-N 3.1Å; K959-T962 PolarHBondContact O-OG1 3.33Å; T962-C965 PolarHBondContact O-N 3.25Å; T962-N966 VanDerWaalsContact O-CG 3.23Å; T962-N966 PolarHBondContact O-N 3.26Å; T962-N966 PolarHBondContact O-ND2 2.8Å |
| 963 | D | 90.4 | Very high | 88.6 | Confident | 86 Ų | 86 | 97.8 Ų | 97.8 | 46% | 0.46 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 173.5 | -72.6 | -26 | 0 | 0 | 0 | 111 | K959 N966 E967 | K959-D963 WeakPolarHBondContact O-CB 3.39Å; K959-D963 PolarHBondContact O-N 3.45Å; D963-N966 PolarHBondContact O-N 3.39Å; D963-E967 PolarHBondContact O-N 3.36Å |
| 964 | L | 90.4 | Very high | 89.1 | Confident | 90 Ų | 90 | 97.1 Ų | 97.1 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.6 | -38.1 | 173.1 | -73 | 169.4 | 0 | 0 | 0 | 113.2 | E960 I961 N966 E967 L968 | E960-L964 HydrophobicContact CG-CD1 4.34Å; E960-L964 WeakPolarHBondContact O-CB 3.41Å; E960-L964 VanDerWaalsContact O-CG 3.22Å; E960-L964 WeakPolarHBondContact O-CG 3.28Å; E960-L964 PolarHBondContact O-N 2.89Å; I961-L964 PolarHBondContact O-N 2.88Å; L964-N966 VanDerWaalsContact C-N 3.34Å; L964-E967 PolarHBondContact O-N 2.82Å; L964-L968 WeakPolarHBondContact O-CB 3.23Å; L964-L968 WeakPolarHBondContact O-CG 3.32Å; L964-L968 PolarHBondContact O-N 2.6Å |
| 965 | C | 85.8 | Confident | 89.5 | Confident | 70 Ų | 70 | 97.7 Ų | 97.7 | 47% | 0.473 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 173.4 | -71.1 | 0 | 0 | 0 | 0 | 111.7 | I961 T962 L968 E969 | I961-C965 WeakPolarHBondContact O-CB 3.33Å; I961-C965 PolarHBondContact O-N 3.23Å; I961-C965 PolarHBondContact O-SG 2.79Å; T962-C965 PolarHBondContact O-N 3.25Å; C965-L968 PolarHBondContact O-N 3.49Å; C965-E969 PolarHBondContact O-N 2.84Å |
| 966 | N | 90.5 | Very high | 89.6 | Confident | 105 Ų | 105 | 98.4 Ų | 98.4 | 56% | 0.561 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.2 | -39.3 | 176.5 | -70.4 | -37.7 | 0 | 0 | 0 | 111.7 | T962 D963 L964 E969 S970 | T962-N966 VanDerWaalsContact O-CG 3.23Å; T962-N966 PolarHBondContact O-N 3.26Å; T962-N966 PolarHBondContact O-ND2 2.8Å; D963-N966 PolarHBondContact O-N 3.39Å; L964-N966 VanDerWaalsContact C-N 3.34Å; N966-E969 PolarHBondContact O-N 2.91Å; N966-S970 VanDerWaalsContact O-CB 3.32Å; N966-S970 WeakPolarHBondContact O-CB 3.46Å; N966-S970 PolarHBondContact O-N 3.43Å |
| 967 | E | 93.3 | Very high | 89.8 | Confident | 117 Ų | 117 | 98 Ų | 98 | 55% | 0.547 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.9 | -40.8 | 175.7 | -170.4 | 168.8 | -152.4 | 0 | 0 | 111.9 | D963 L964 S970 L971 | D963-E967 PolarHBondContact O-N 3.36Å; L964-E967 PolarHBondContact O-N 2.82Å; E967-S970 WeakPolarHBondContact O-CB 3.36Å; E967-S970 PolarHBondContact O-N 3.23Å; E967-L971 HydrophobicContact CG-CD1 4.11Å; E967-L971 WeakPolarHBondContact O-CB 3.29Å; E967-L971 WeakPolarHBondContact O-CG 3.36Å; E967-L971 PolarHBondContact O-N 3.49Å |
| 968 | L | 86.5 | Confident | 89.5 | Confident | 118 Ų | 118 | 96.7 Ų | 96.7 | 62% | 0.618 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.3 | -44.1 | 172.8 | -78.4 | 170.5 | 0 | 0 | 0 | 112.5 | L964 C965 S970 L971 K972 | L964-L968 WeakPolarHBondContact O-CB 3.23Å; L964-L968 WeakPolarHBondContact O-CG 3.32Å; L964-L968 PolarHBondContact O-N 2.6Å; C965-L968 PolarHBondContact O-N 3.49Å; L968-S970 VanDerWaalsContact C-N 3.34Å; L968-L971 PolarHBondContact O-N 3.39Å; L968-K972 WeakPolarHBondContact O-CB 3.29Å; L968-K972 PolarHBondContact O-N 3.37Å |
| 969 | E | 89.8 | Confident | 89.6 | Confident | 85 Ų | 85 | 95.6 Ų | 95.6 | 40% | 0.397 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.8 | -35.6 | 176.7 | -165.4 | 62.6 | -133.2 | 0 | 0 | 111.1 | C965 N966 K972 N973 | C965-E969 PolarHBondContact O-N 2.84Å; N966-E969 PolarHBondContact O-N 2.91Å; E969-K972 IonicContact OE1-NZ 3.95Å; E969-K972 PolarHBondContact OE1-NZ 3.29Å; E969-K972 IonicContact OE2-NZ 2.66Å; E969-K972 PolarHBondContact OE2-NZ 2.88Å; E969-N973 WeakPolarHBondContact O-CB 3.4Å; E969-N973 PolarHBondContact O-N 3.3Å; E969-N973 PolarHBondContact O-ND2 3.19Å |
| 970 | S | 91 | Very high | 89.5 | Confident | 78 Ų | 78 | 95.2 Ų | 95.2 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.2 | -49.3 | 172.8 | -173.5 | 0 | 0 | 0 | 0 | 112.2 | N966 E967 L968 K972 N973 A974 | N966-S970 VanDerWaalsContact O-CB 3.32Å; N966-S970 WeakPolarHBondContact O-CB 3.46Å; N966-S970 PolarHBondContact O-N 3.43Å; E967-S970 WeakPolarHBondContact O-CB 3.36Å; E967-S970 PolarHBondContact O-N 3.23Å; L968-S970 VanDerWaalsContact C-N 3.34Å; S970-K972 PolarHBondContact O-N 3.49Å; S970-N973 PolarHBondContact O-N 3.31Å; S970-A974 PolarHBondContact O-N 3.42Å |
| 971 | L | 89.4 | Confident | 89.5 | Confident | 99 Ų | 99 | 95.4 Ų | 95.4 | 52% | 0.518 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 176.6 | -78.7 | 165.3 | 0 | 0 | 0 | 111.9 | E967 L968 N973 A974 V975 | E967-L971 HydrophobicContact CG-CD1 4.11Å; E967-L971 WeakPolarHBondContact O-CB 3.29Å; E967-L971 WeakPolarHBondContact O-CG 3.36Å; E967-L971 PolarHBondContact O-N 3.49Å; L968-L971 PolarHBondContact O-N 3.39Å; L971-N973 PolarHBondContact O-N 2.87Å; L971-A974 WeakPolarHBondContact O-CB 3.36Å; L971-A974 PolarHBondContact O-N 3.36Å; L971-V975 WeakPolarHBondContact O-CG2 3.34Å; L971-V975 PolarHBondContact O-N 2.77Å |
| 972 | K | 92.8 | Very high | 89.4 | Confident | 117 Ų | 117 | 93.6 Ų | 93.6 | 51% | 0.509 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58 | -45.8 | 174.1 | 174.4 | -176.9 | 164.6 | -143.5 | 0 | 111.5 | L968 E969 S970 V975 E976 | L968-K972 WeakPolarHBondContact O-CB 3.29Å; L968-K972 PolarHBondContact O-N 3.37Å; E969-K972 IonicContact OE1-NZ 3.95Å; E969-K972 PolarHBondContact OE1-NZ 3.29Å; E969-K972 IonicContact OE2-NZ 2.66Å; E969-K972 PolarHBondContact OE2-NZ 2.88Å; S970-K972 PolarHBondContact O-N 3.49Å; K972-V975 PolarHBondContact O-N 2.89Å; K972-E976 WeakPolarHBondContact O-CB 3.3Å; K972-E976 PolarHBondContact O-N 3Å |
| 973 | N | 92.6 | Very high | 89.3 | Confident | 91 Ų | 91 | 94.1 Ų | 94.1 | 49% | 0.487 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.2 | -37.7 | 175.4 | -78.9 | -60.2 | 0 | 0 | 0 | 112.7 | E969 S970 L971 E976 H977 | E969-N973 WeakPolarHBondContact O-CB 3.4Å; E969-N973 PolarHBondContact O-N 3.3Å; E969-N973 PolarHBondContact O-ND2 3.19Å; S970-N973 PolarHBondContact O-N 3.31Å; L971-N973 PolarHBondContact O-N 2.87Å; N973-E976 PolarHBondContact O-N 3.29Å; N973-H977 VanDerWaalsContact O-CB 3.27Å; N973-H977 WeakPolarHBondContact O-CB 3.42Å; N973-H977 PolarHBondContact O-N 3.05Å |
| 974 | A | 90.2 | Very high | 89.4 | Confident | 58 Ų | 58 | 93.6 Ų | 93.6 | 48% | 0.479 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S970 L971 H977 Q978 | S970-A974 PolarHBondContact O-N 3.42Å; L971-A974 WeakPolarHBondContact O-CB 3.36Å; L971-A974 PolarHBondContact O-N 3.36Å; A974-H977 PolarHBondContact O-N 3.39Å; A974-Q978 WeakPolarHBondContact O-CB 3.42Å; A974-Q978 PolarHBondContact O-N 3.39Å |
| 975 | V | 85.8 | Confident | 89.4 | Confident | 95 Ų | 95 | 93.2 Ų | 93.2 | 58% | 0.576 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65.1 | -44.5 | 174.5 | 170 | 0 | 0 | 0 | 0 | 111.2 | L971 K972 H977 Q978 R979 | L971-V975 WeakPolarHBondContact O-CG2 3.34Å; L971-V975 PolarHBondContact O-N 2.77Å; K972-V975 PolarHBondContact O-N 2.89Å; V975-H977 VanDerWaalsContact C-N 3.34Å; V975-H977 PolarHBondContact O-N 3.5Å; V975-Q978 PolarHBondContact O-N 3.44Å; V975-R979 WeakPolarHBondContact O-CB 3.47Å; V975-R979 PolarHBondContact O-N 3.14Å |
| 976 | E | 86.8 | Confident | 89.5 | Confident | 86 Ų | 86 | 98 Ų | 98 | 40% | 0.402 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.2 | -40.6 | 177.6 | -163.4 | 64 | -135.9 | 0 | 0 | 111.5 | K972 N973 R979 K980 | K972-E976 WeakPolarHBondContact O-CB 3.3Å; K972-E976 PolarHBondContact O-N 3Å; N973-E976 PolarHBondContact O-N 3.29Å; E976-R979 PolarHBondContact O-N 2.85Å; E976-K980 WeakPolarHBondContact O-CG 3.44Å; E976-K980 PolarHBondContact O-N 2.82Å |
| 977 | H | 89.3 | Confident | 89.6 | Confident | 123 Ų | 123 | 98.6 Ų | 98.6 | 57% | 0.569 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.3 | -42.8 | 173.1 | -178.5 | -88.8 | 0 | 0 | 0 | 112 | N973 A974 V975 R979 K980 K981 | N973-H977 VanDerWaalsContact O-CB 3.27Å; N973-H977 WeakPolarHBondContact O-CB 3.42Å; N973-H977 PolarHBondContact O-N 3.05Å; A974-H977 PolarHBondContact O-N 3.39Å; V975-H977 VanDerWaalsContact C-N 3.34Å; V975-H977 PolarHBondContact O-N 3.5Å; H977-R979 VanDerWaalsContact C-N 3.34Å; H977-R979 PolarHBondContact O-N 3.4Å; H977-K980 PolarHBondContact O-N 3.15Å; H977-K981 WeakPolarHBondContact O-CB 3.44Å; H977-K981 PolarHBondContact O-N 2.97Å |
| 978 | Q | 83.2 | Confident | 89.5 | Confident | 79 Ų | 79 | 98.6 Ų | 98.6 | 37% | 0.369 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.4 | -32.7 | 177.1 | -169.3 | 66.3 | -2.2 | 0 | 0 | 112.2 | A974 V975 K981 N982 | A974-Q978 WeakPolarHBondContact O-CB 3.42Å; A974-Q978 PolarHBondContact O-N 3.39Å; V975-Q978 PolarHBondContact O-N 3.44Å; Q978-K981 PolarHBondContact O-N 2.86Å; Q978-N982 WeakPolarHBondContact O-CB 3.49Å; Q978-N982 PolarHBondContact O-N 2.83Å |
| 979 | R | 88.9 | Confident | 89.6 | Confident | 99 Ų | 99 | 98.2 Ų | 98.2 | 37% | 0.374 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64 | -46.4 | 172.5 | -168.1 | -178.7 | -165.4 | 138.8 | 2.4 | 111.4 | V975 E976 H977 N982 N983 | V975-R979 WeakPolarHBondContact O-CB 3.47Å; V975-R979 PolarHBondContact O-N 3.14Å; E976-R979 PolarHBondContact O-N 2.85Å; H977-R979 VanDerWaalsContact C-N 3.34Å; H977-R979 PolarHBondContact O-N 3.4Å; R979-N982 PolarHBondContact O-N 3.34Å; R979-N983 PolarHBondContact O-N 2.9Å |
| 980 | K | 90.8 | Very high | 89.8 | Confident | 123 Ų | 123 | 101.7 Ų | 101.7 | 54% | 0.535 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.9 | -50.3 | 172.3 | -72.2 | 172.4 | -177.6 | 172.4 | 0 | 111.1 | E976 H977 N982 N983 D984 | E976-K980 WeakPolarHBondContact O-CG 3.44Å; E976-K980 PolarHBondContact O-N 2.82Å; H977-K980 PolarHBondContact O-N 3.15Å; K980-N982 VanDerWaalsContact C-N 3.27Å; K980-N982 PolarHBondContact O-N 3.01Å; K980-N983 WeakPolarHBondContact O-CA 3.27Å; K980-N983 WeakPolarHBondContact O-CB 3.33Å; K980-N983 PolarHBondContact O-N 3.17Å; K980-D984 PolarHBondContact O-N 2.92Å; K980-D984 VanDerWaalsContact O-OD1 3.11Å |
| 981 | K | 92.2 | Very high | 89.8 | Confident | 100 Ų | 100 | 103 Ų | 103 | 44% | 0.435 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59 | -34.7 | 177.1 | -168.5 | 176.7 | 179.1 | -177.2 | 0 | 113.1 | H977 Q978 L985 | H977-K981 WeakPolarHBondContact O-CB 3.44Å; H977-K981 PolarHBondContact O-N 2.97Å; Q978-K981 PolarHBondContact O-N 2.86Å; K981-L985 HydrophobicContact CG-CD1 4.48Å; K981-L985 WeakPolarHBondContact O-CB 3.31Å; K981-L985 WeakPolarHBondContact O-CD1 3.2Å; K981-L985 WeakPolarHBondContact O-CG 3.44Å; K981-L985 PolarHBondContact O-N 2.82Å; K981-L985 VanDerWaalsContact O-N 3.07Å |
| 982 | N | 85.8 | Confident | 89.8 | Confident | 70 Ų | 70 | 100.4 Ų | 100.4 | 37% | 0.374 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.9 | -40.5 | 173.8 | -163.6 | -95 | 0 | 0 | 0 | 111.8 | Q978 R979 K980 L985 R986 | Q978-N982 WeakPolarHBondContact O-CB 3.49Å; Q978-N982 PolarHBondContact O-N 2.83Å; R979-N982 PolarHBondContact O-N 3.34Å; K980-N982 VanDerWaalsContact C-N 3.27Å; K980-N982 PolarHBondContact O-N 3.01Å; N982-L985 PolarHBondContact O-N 3.27Å; N982-R986 WeakPolarHBondContact O-CG 3.4Å; N982-R986 PolarHBondContact O-N 2.69Å; N982-R986 PolarHBondContact OD1-NE 3.16Å; N982-R986 PolarHBondContact OD1-NH2 3.33Å |
| 983 | N | 89.8 | Confident | 89.6 | Confident | 88 Ų | 88 | 101 Ų | 101 | 47% | 0.471 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.8 | -48.1 | 174.1 | -69.7 | -9.9 | 0 | 0 | 0 | 111.6 | R979 K980 L985 R986 E987 | R979-N983 PolarHBondContact O-N 2.9Å; K980-N983 WeakPolarHBondContact O-CA 3.27Å; K980-N983 WeakPolarHBondContact O-CB 3.33Å; K980-N983 PolarHBondContact O-N 3.17Å; N983-L985 PolarHBondContact O-N 3.48Å; N983-R986 WeakPolarHBondContact O-CB 3.31Å; N983-R986 PolarHBondContact O-N 3.21Å; N983-E987 PolarHBondContact O-N 3.49Å |
| 984 | D | 92.8 | Very high | 89.5 | Confident | 74 Ų | 74 | 102 Ų | 102 | 40% | 0.396 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.6 | -35.4 | 174.8 | -67.4 | 13.6 | 0 | 0 | 0 | 112.2 | K980 K988 | K980-D984 PolarHBondContact O-N 2.92Å; K980-D984 VanDerWaalsContact O-OD1 3.11Å; D984-K988 WeakPolarHBondContact O-CB 3.43Å; D984-K988 WeakPolarHBondContact O-CD 3.29Å; D984-K988 VanDerWaalsContact O-CG 3.26Å; D984-K988 WeakPolarHBondContact O-CG 3.3Å; D984-K988 PolarHBondContact O-N 3.46Å |
| 985 | L | 90.6 | Very high | 89.5 | Confident | 82 Ų | 82 | 101.9 Ų | 101.9 | 43% | 0.429 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -72.5 | -39.1 | 175.3 | -77.3 | 169.2 | 0 | 0 | 0 | 111.7 | K981 N982 N983 N989 | K981-L985 HydrophobicContact CG-CD1 4.48Å; K981-L985 WeakPolarHBondContact O-CB 3.31Å; K981-L985 WeakPolarHBondContact O-CD1 3.2Å; K981-L985 WeakPolarHBondContact O-CG 3.44Å; K981-L985 PolarHBondContact O-N 2.82Å; K981-L985 VanDerWaalsContact O-N 3.07Å; N982-L985 PolarHBondContact O-N 3.27Å; N983-L985 PolarHBondContact O-N 3.48Å; L985-N989 WeakPolarHBondContact O-CB 3.44Å; L985-N989 PolarHBondContact O-N 3.45Å |
| 986 | R | 88.6 | Confident | 89.5 | Confident | 171 Ų | 171 | 103 Ų | 103 | 65% | 0.645 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.2 | -44.9 | 173.6 | -71.3 | 172.3 | -171.3 | -142 | -1 | 111.2 | N982 N983 N989 W990 | N982-R986 WeakPolarHBondContact O-CG 3.4Å; N982-R986 PolarHBondContact O-N 2.69Å; N982-R986 PolarHBondContact OD1-NE 3.16Å; N982-R986 PolarHBondContact OD1-NH2 3.33Å; N983-R986 WeakPolarHBondContact O-CB 3.31Å; N983-R986 PolarHBondContact O-N 3.21Å; R986-N989 PolarHBondContact O-N 2.92Å; R986-W990 VanDerWaalsContact O-CB 3.32Å; R986-W990 WeakPolarHBondContact O-CB 3.34Å; R986-W990 PolarHBondContact O-N 2.77Å |
| 987 | E | 90.9 | Very high | 89.4 | Confident | 118 Ų | 118 | 101.3 Ų | 101.3 | 55% | 0.551 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.9 | -52.4 | 176.8 | -173.1 | 172.3 | -142.2 | 0 | 0 | 110.9 | N983 N989 W990 E991 | N983-E987 PolarHBondContact O-N 3.49Å; E987-N989 VanDerWaalsContact C-N 3.28Å; E987-N989 PolarHBondContact O-N 3.15Å; E987-W990 WeakPolarHBondContact O-CB 3.5Å; E987-W990 PolarHBondContact O-N 3.04Å; E987-W990 VanDerWaalsContact O-N 3.14Å; E987-E991 WeakPolarHBondContact O-CG 3.29Å; E987-E991 PolarHBondContact O-N 3.29Å |
| 988 | K | 92 | Very high | 89.5 | Confident | 116 Ų | 116 | 99.1 Ų | 99.1 | 50% | 0.504 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.8 | -30.5 | 177.2 | -73.4 | 165.2 | -174.5 | 147.2 | 0 | 113.9 | D984 A992 | D984-K988 WeakPolarHBondContact O-CB 3.43Å; D984-K988 WeakPolarHBondContact O-CD 3.29Å; D984-K988 VanDerWaalsContact O-CG 3.26Å; D984-K988 WeakPolarHBondContact O-CG 3.3Å; D984-K988 PolarHBondContact O-N 3.46Å; K988-A992 VanDerWaalsContact O-CB 3.25Å; K988-A992 WeakPolarHBondContact O-CB 3.47Å; K988-A992 PolarHBondContact O-N 2.82Å |
| 989 | N | 88.3 | Confident | 89.7 | Confident | 110 Ų | 110 | 98.5 Ų | 98.5 | 59% | 0.588 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -79.1 | -32.8 | 177 | -156.1 | -1.4 | 0 | 0 | 0 | 111.2 | L985 R986 E987 A992 M993 | L985-N989 WeakPolarHBondContact O-CB 3.44Å; L985-N989 PolarHBondContact O-N 3.45Å; R986-N989 PolarHBondContact O-N 2.92Å; E987-N989 VanDerWaalsContact C-N 3.28Å; E987-N989 PolarHBondContact O-N 3.15Å; N989-A992 PolarHBondContact O-N 3.49Å; N989-M993 VanDerWaalsContact O-CB 3.31Å; N989-M993 WeakPolarHBondContact O-CB 3.18Å; N989-M993 PolarHBondContact O-N 3.36Å |
| 990 | W | 94.2 | Very high | 89.6 | Confident | 159 Ų | 159 | 100.4 Ų | 100.4 | 60% | 0.602 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.6 | -47.3 | 168.9 | 178.7 | 77.7 | 0 | 0 | 0 | 111.5 | R986 E987 A992 M993 E994 | R986-W990 VanDerWaalsContact O-CB 3.32Å; R986-W990 WeakPolarHBondContact O-CB 3.34Å; R986-W990 PolarHBondContact O-N 2.77Å; E987-W990 WeakPolarHBondContact O-CB 3.5Å; E987-W990 PolarHBondContact O-N 3.04Å; E987-W990 VanDerWaalsContact O-N 3.14Å; W990-A992 VanDerWaalsContact C-N 3.31Å; W990-A992 PolarHBondContact O-N 2.78Å; W990-M993 PolarHBondContact O-N 2.62Å; W990-M993 VanDerWaalsContact O-N 3.15Å; W990-E994 PolarHBondContact O-N 2.94Å |
| 991 | E | 90.1 | Very high | 89.6 | Confident | 106 Ų | 106 | 101.2 Ų | 101.2 | 50% | 0.495 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.8 | -41.8 | 171.8 | -71.3 | -178.4 | 152.7 | 0 | 0 | 111.9 | E987 E994 A995 | E987-E991 WeakPolarHBondContact O-CG 3.29Å; E987-E991 PolarHBondContact O-N 3.29Å; E991-E994 PolarHBondContact O-N 2.86Å; E991-A995 VanDerWaalsContact O-CB 3.28Å; E991-A995 WeakPolarHBondContact O-CB 3.39Å; E991-A995 PolarHBondContact O-N 3.4Å |
| 992 | A | 89.9 | Confident | 89.6 | Confident | 44 Ų | 44 | 101.1 Ų | 101.1 | 36% | 0.364 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.2 | -38.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K988 N989 W990 L996 | K988-A992 VanDerWaalsContact O-CB 3.25Å; K988-A992 WeakPolarHBondContact O-CB 3.47Å; K988-A992 PolarHBondContact O-N 2.82Å; N989-A992 PolarHBondContact O-N 3.49Å; W990-A992 VanDerWaalsContact C-N 3.31Å; W990-A992 PolarHBondContact O-N 2.78Å; A992-L996 WeakPolarHBondContact O-CB 3.24Å; A992-L996 VanDerWaalsContact O-CG 3.26Å; A992-L996 WeakPolarHBondContact O-CG 3.31Å; A992-L996 PolarHBondContact O-N 3.18Å |
| 993 | M | 88.9 | Confident | 89.8 | Confident | 128 Ų | 128 | 102.6 Ų | 102.6 | 63% | 0.631 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69 | -38.8 | 175.4 | -173.7 | 172.4 | -75.1 | 0 | 0 | 111.8 | N989 W990 L996 A997 | N989-M993 VanDerWaalsContact O-CB 3.31Å; N989-M993 WeakPolarHBondContact O-CB 3.18Å; N989-M993 PolarHBondContact O-N 3.36Å; W990-M993 PolarHBondContact O-N 2.62Å; W990-M993 VanDerWaalsContact O-N 3.15Å; M993-L996 PolarHBondContact O-N 3.13Å; M993-A997 WeakPolarHBondContact O-CB 3.39Å; M993-A997 PolarHBondContact O-N 3.44Å |
| 994 | E | 90.1 | Very high | 89.7 | Confident | 114 Ų | 114 | 103.6 Ų | 103.6 | 53% | 0.533 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.9 | -42.4 | 174 | -172.3 | 175.9 | -138 | 0 | 0 | 111.5 | W990 E991 L996 A997 S998 | W990-E994 PolarHBondContact O-N 2.94Å; E991-E994 PolarHBondContact O-N 2.86Å; E994-L996 PolarHBondContact O-N 3.46Å; E994-A997 PolarHBondContact O-N 2.79Å; E994-S998 VanDerWaalsContact O-CB 3.3Å; E994-S998 WeakPolarHBondContact O-CB 3.22Å; E994-S998 PolarHBondContact O-N 3.48Å |
| 995 | A | 89.9 | Confident | 89.5 | Confident | 55 Ų | 55 | 104.4 Ų | 104.4 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | E991 S998 T999 | E991-A995 VanDerWaalsContact O-CB 3.28Å; E991-A995 WeakPolarHBondContact O-CB 3.39Å; E991-A995 PolarHBondContact O-N 3.4Å; A995-S998 PolarHBondContact O-N 3.44Å; A995-T999 WeakPolarHBondContact O-CG2 3.31Å; A995-T999 PolarHBondContact O-N 2.81Å; A995-T999 PolarHBondContact O-OG1 2.86Å |
| 996 | L | 85.8 | Confident | 89.5 | Confident | 119 Ų | 119 | 107.6 Ų | 107.6 | 62% | 0.623 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.3 | -50.2 | 174.8 | -78.4 | 170.6 | 0 | 0 | 0 | 111.4 | A992 M993 E994 S998 T999 E1000 | A992-L996 WeakPolarHBondContact O-CB 3.24Å; A992-L996 VanDerWaalsContact O-CG 3.26Å; A992-L996 WeakPolarHBondContact O-CG 3.31Å; A992-L996 PolarHBondContact O-N 3.18Å; M993-L996 PolarHBondContact O-N 3.13Å; E994-L996 PolarHBondContact O-N 3.46Å; L996-S998 VanDerWaalsContact C-N 3.25Å; L996-S998 PolarHBondContact O-N 2.79Å; L996-T999 WeakPolarHBondContact CA-OG1 3.38Å; L996-T999 CarbonylContact O-C 3.54Å; L996-T999 PolarHBondContact O-N 2.95Å; L996-T999 PolarHBondContact O-OG1 2.91Å; L996-E1000 WeakPolarHBondContact O-CB 3.36Å; L996-E1000 PolarHBondContact O-N 3.45Å |
| 997 | A | 85.9 | Confident | 89.5 | Confident | 50 Ų | 50 | 103.5 Ų | 103.5 | 41% | 0.413 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.9 | -36.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | M993 E994 K1001 | M993-A997 WeakPolarHBondContact O-CB 3.39Å; M993-A997 PolarHBondContact O-N 3.44Å; E994-A997 PolarHBondContact O-N 2.79Å; A997-K1001 VanDerWaalsContact O-CB 3.29Å; A997-K1001 WeakPolarHBondContact O-CB 3.22Å; A997-K1001 PolarHBondContact O-N 2.86Å |
| 998 | S | 90.3 | Very high | 89.4 | Confident | 77 Ų | 77 | 102.1 Ų | 102.1 | 54% | 0.538 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.1 | -43.1 | 173 | -173.3 | 0 | 0 | 0 | 0 | 112.2 | E994 A995 L996 M1002 | E994-S998 VanDerWaalsContact O-CB 3.3Å; E994-S998 WeakPolarHBondContact O-CB 3.22Å; E994-S998 PolarHBondContact O-N 3.48Å; A995-S998 PolarHBondContact O-N 3.44Å; L996-S998 VanDerWaalsContact C-N 3.25Å; L996-S998 PolarHBondContact O-N 2.79Å; S998-M1002 WeakPolarHBondContact O-CB 3.47Å; S998-M1002 PolarHBondContact O-N 3.3Å |
| 999 | T | 87.9 | Confident | 89.3 | Confident | 65 Ų | 65 | 102.8 Ų | 102.8 | 40% | 0.399 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69 | -37.2 | 174.4 | 59.1 | 0 | 0 | 0 | 0 | 113.2 | A995 L996 M1002 L1003 | A995-T999 WeakPolarHBondContact O-CG2 3.31Å; A995-T999 PolarHBondContact O-N 2.81Å; A995-T999 PolarHBondContact O-OG1 2.86Å; L996-T999 WeakPolarHBondContact CA-OG1 3.38Å; L996-T999 CarbonylContact O-C 3.54Å; L996-T999 PolarHBondContact O-N 2.95Å; L996-T999 PolarHBondContact O-OG1 2.91Å; T999-M1002 PolarHBondContact O-N 2.77Å; T999-L1003 WeakPolarHBondContact O-CB 3.22Å; T999-L1003 VanDerWaalsContact O-CG 3.29Å; T999-L1003 WeakPolarHBondContact O-CG 3.07Å; T999-L1003 PolarHBondContact O-N 3.42Å |
| 1000 | E | 87.2 | Confident | 89.2 | Confident | 139 Ų | 139 | 99.8 Ų | 99.8 | 65% | 0.65 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.4 | -48.4 | 174.6 | -178.5 | 176 | -163.5 | 0 | 0 | 110.1 | L996 M1002 L1003 Q1004 | L996-E1000 WeakPolarHBondContact O-CB 3.36Å; L996-E1000 PolarHBondContact O-N 3.45Å; E1000-M1002 PolarHBondContact O-N 3.25Å; E1000-L1003 PolarHBondContact O-N 3.32Å; E1000-Q1004 VanDerWaalsContact O-CB 3.32Å; E1000-Q1004 WeakPolarHBondContact O-CB 3.23Å; E1000-Q1004 PolarHBondContact O-N 3.38Å |
| 1001 | K | 91.2 | Very high | 88.6 | Confident | 141 Ų | 141 | 95.1 Ų | 95.1 | 61% | 0.613 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -58.3 | -45.3 | 173.4 | -175 | 176.6 | 179.6 | 179.1 | 0 | 112.1 | A997 L1003 Q1004 D1005 | A997-K1001 VanDerWaalsContact O-CB 3.29Å; A997-K1001 WeakPolarHBondContact O-CB 3.22Å; A997-K1001 PolarHBondContact O-N 2.86Å; K1001-L1003 VanDerWaalsContact C-N 3.33Å; K1001-L1003 PolarHBondContact O-N 2.83Å; K1001-Q1004 PolarHBondContact O-N 3.21Å; K1001-D1005 WeakPolarHBondContact O-CB 3.43Å; K1001-D1005 PolarHBondContact O-N 3.09Å |
| 1002 | M | 92.4 | Very high | 88.5 | Confident | 97 Ų | 97 | 96.6 Ų | 96.6 | 48% | 0.478 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.1 | -39.5 | 176.9 | -169.3 | -139.7 | -59.2 | 0 | 0 | 112.4 | S998 T999 E1000 R1006 | S998-M1002 WeakPolarHBondContact O-CB 3.47Å; S998-M1002 PolarHBondContact O-N 3.3Å; T999-M1002 PolarHBondContact O-N 2.77Å; E1000-M1002 PolarHBondContact O-N 3.25Å; M1002-R1006 VanDerWaalsContact O-CB 3.29Å; M1002-R1006 WeakPolarHBondContact O-CB 3.45Å; M1002-R1006 PolarHBondContact O-N 3.28Å |
| 1003 | L | 90.1 | Very high | 88.4 | Confident | 101 Ų | 101 | 98.8 Ų | 98.8 | 53% | 0.529 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.5 | -41.7 | 176 | -73.4 | 172.9 | 0 | 0 | 0 | 111.1 | T999 E1000 K1001 R1006 V1007 | T999-L1003 WeakPolarHBondContact O-CB 3.22Å; T999-L1003 VanDerWaalsContact O-CG 3.29Å; T999-L1003 WeakPolarHBondContact O-CG 3.07Å; T999-L1003 PolarHBondContact O-N 3.42Å; E1000-L1003 PolarHBondContact O-N 3.32Å; K1001-L1003 VanDerWaalsContact C-N 3.33Å; K1001-L1003 PolarHBondContact O-N 2.83Å; L1003-R1006 CarbonylContact O-C 3.59Å; L1003-R1006 PolarHBondContact O-N 3.14Å; L1003-V1007 WeakPolarHBondContact O-CB 3.37Å; L1003-V1007 VanDerWaalsContact O-CG2 3.3Å; L1003-V1007 WeakPolarHBondContact O-CG2 3.4Å; L1003-V1007 PolarHBondContact O-N 2.89Å |
| 1004 | Q | 86.1 | Confident | 88.1 | Confident | 109 Ų | 109 | 101.2 Ų | 101.2 | 51% | 0.509 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 176.5 | -169.2 | 68 | -12.1 | 0 | 0 | 111.4 | E1000 K1001 R1006 V1007 N1008 | E1000-Q1004 VanDerWaalsContact O-CB 3.32Å; E1000-Q1004 WeakPolarHBondContact O-CB 3.23Å; E1000-Q1004 PolarHBondContact O-N 3.38Å; K1001-Q1004 PolarHBondContact O-N 3.21Å; Q1004-R1006 VanDerWaalsContact C-N 3.32Å; Q1004-R1006 PolarHBondContact O-N 3.31Å; Q1004-V1007 PolarHBondContact O-N 3.25Å; Q1004-N1008 VanDerWaalsContact O-CB 3.31Å; Q1004-N1008 WeakPolarHBondContact O-CB 3.25Å; Q1004-N1008 PolarHBondContact O-N 2.99Å; Q1004-N1008 PolarHBondContact O-ND2 3.2Å |
| 1005 | D | 89.8 | Confident | 87.8 | Confident | 91 Ų | 91 | 103.5 Ų | 103.5 | 49% | 0.487 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.4 | -38.5 | 173.4 | -74.4 | -22.6 | 0 | 0 | 0 | 111.6 | K1001 K1009 | K1001-D1005 WeakPolarHBondContact O-CB 3.43Å; K1001-D1005 PolarHBondContact O-N 3.09Å; D1005-K1009 VanDerWaalsContact O-CB 3.22Å; D1005-K1009 WeakPolarHBondContact O-CB 3.18Å; D1005-K1009 PolarHBondContact O-N 3.19Å |
| 1006 | R | 90.8 | Very high | 87.7 | Confident | 149 Ų | 149 | 105.9 Ų | 105.9 | 56% | 0.562 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.3 | -42.2 | 175.2 | -169.1 | -179.9 | -62.4 | -167.1 | 2.1 | 112.1 | M1002 L1003 Q1004 K1009 T1010 | M1002-R1006 VanDerWaalsContact O-CB 3.29Å; M1002-R1006 WeakPolarHBondContact O-CB 3.45Å; M1002-R1006 PolarHBondContact O-N 3.28Å; L1003-R1006 CarbonylContact O-C 3.59Å; L1003-R1006 PolarHBondContact O-N 3.14Å; Q1004-R1006 VanDerWaalsContact C-N 3.32Å; Q1004-R1006 PolarHBondContact O-N 3.31Å; R1006-K1009 PolarHBondContact O-N 2.85Å; R1006-T1010 WeakPolarHBondContact O-CB 3.44Å; R1006-T1010 PolarHBondContact O-N 2.8Å; R1006-T1010 PolarHBondContact O-OG1 2.8Å |
| 1007 | V | 87.8 | Confident | 87.6 | Confident | 86 Ų | 86 | 106.1 Ų | 106.1 | 52% | 0.521 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.2 | -45.4 | 175.4 | 167.1 | 0 | 0 | 0 | 0 | 110.3 | L1003 Q1004 K1009 T1010 S1011 | L1003-V1007 WeakPolarHBondContact O-CB 3.37Å; L1003-V1007 VanDerWaalsContact O-CG2 3.3Å; L1003-V1007 WeakPolarHBondContact O-CG2 3.4Å; L1003-V1007 PolarHBondContact O-N 2.89Å; Q1004-V1007 PolarHBondContact O-N 3.25Å; V1007-K1009 PolarHBondContact O-N 2.81Å; V1007-T1010 PolarHBondContact O-N 3.25Å; V1007-S1011 WeakPolarHBondContact O-CB 3.4Å; V1007-S1011 PolarHBondContact O-N 2.61Å |
| 1008 | N | 88.3 | Confident | 87.5 | Confident | 88 Ų | 88 | 107.4 Ų | 107.4 | 47% | 0.471 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 175.3 | -73.6 | -28.2 | 0 | 0 | 0 | 111.8 | Q1004 S1011 K1012 | Q1004-N1008 VanDerWaalsContact O-CB 3.31Å; Q1004-N1008 WeakPolarHBondContact O-CB 3.25Å; Q1004-N1008 PolarHBondContact O-N 2.99Å; Q1004-N1008 PolarHBondContact O-ND2 3.2Å; N1008-S1011 PolarHBondContact O-N 3.2Å; N1008-K1012 WeakPolarHBondContact O-CB 3.29Å; N1008-K1012 PolarHBondContact O-N 2.97Å |
| 1009 | K | 91.4 | Very high | 87.4 | Confident | 131 Ų | 131 | 108.9 Ų | 108.9 | 57% | 0.57 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.4 | -50.6 | 175 | 179.5 | 171 | 173.8 | 174.8 | 0 | 111.9 | D1005 R1006 V1007 S1011 K1012 E1013 | D1005-K1009 VanDerWaalsContact O-CB 3.22Å; D1005-K1009 WeakPolarHBondContact O-CB 3.18Å; D1005-K1009 PolarHBondContact O-N 3.19Å; R1006-K1009 PolarHBondContact O-N 2.85Å; V1007-K1009 PolarHBondContact O-N 2.81Å; K1009-S1011 VanDerWaalsContact C-N 3.3Å; K1009-S1011 PolarHBondContact O-N 2.67Å; K1009-K1012 PolarHBondContact O-N 3.29Å; K1009-K1012 VanDerWaalsContact O-N 3.15Å; K1009-E1013 WeakPolarHBondContact CE-OE1 3.38Å; K1009-E1013 HydrophobicContact CG-CG 4.4Å; K1009-E1013 WeakPolarHBondContact CG-OE1 3.2Å; K1009-E1013 IonicContact NZ-OE1 2.71Å; K1009-E1013 WeakPolarHBondContact O-CB 3.38Å; K1009-E1013 WeakPolarHBondContact O-CG 3.29Å; K1009-E1013 PolarHBondContact O-N 2.88Å |
| 1010 | T | 85.4 | Confident | 87.3 | Confident | 47 Ų | 47 | 108.2 Ų | 108.2 | 29% | 0.288 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.5 | -35.7 | 177.6 | -59.8 | 0 | 0 | 0 | 0 | 112 | R1006 V1007 R1014 | R1006-T1010 WeakPolarHBondContact O-CB 3.44Å; R1006-T1010 PolarHBondContact O-N 2.8Å; R1006-T1010 PolarHBondContact O-OG1 2.8Å; V1007-T1010 PolarHBondContact O-N 3.25Å; T1010-R1014 HydrophobicContact CG2-CG 4.43Å; T1010-R1014 VanDerWaalsContact O-CB 3.31Å; T1010-R1014 WeakPolarHBondContact O-CB 3.35Å; T1010-R1014 VanDerWaalsContact O-CG 3.24Å; T1010-R1014 WeakPolarHBondContact O-CG 3.49Å; T1010-R1014 PolarHBondContact O-N 3.42Å |
| 1011 | S | 81.5 | Confident | 87.1 | Confident | 61 Ų | 61 | 105.3 Ų | 105.3 | 43% | 0.427 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 173.7 | -176.1 | 0 | 0 | 0 | 0 | 111.7 | V1007 N1008 K1009 R1015 | V1007-S1011 WeakPolarHBondContact O-CB 3.4Å; V1007-S1011 PolarHBondContact O-N 2.61Å; N1008-S1011 PolarHBondContact O-N 3.2Å; K1009-S1011 VanDerWaalsContact C-N 3.3Å; K1009-S1011 PolarHBondContact O-N 2.67Å; S1011-R1015 WeakPolarHBondContact O-CB 3.48Å; S1011-R1015 PolarHBondContact O-N 2.94Å |
| 1012 | K | 87.8 | Confident | 87 | Confident | 136 Ų | 136 | 101.5 Ų | 101.5 | 59% | 0.591 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.4 | -44.6 | 175.5 | -171.6 | 176 | -179.1 | 178.5 | 0 | 112.4 | N1008 K1009 R1015 Q1016 | N1008-K1012 WeakPolarHBondContact O-CB 3.29Å; N1008-K1012 PolarHBondContact O-N 2.97Å; K1009-K1012 PolarHBondContact O-N 3.29Å; K1009-K1012 VanDerWaalsContact O-N 3.15Å; K1012-R1015 PolarHBondContact O-N 3.41Å; K1012-Q1016 WeakPolarHBondContact O-CG 3.34Å; K1012-Q1016 PolarHBondContact O-N 2.97Å |
| 1013 | E | 87 | Confident | 86.7 | Confident | 91 Ų | 91 | 102.1 Ų | 102.1 | 43% | 0.425 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 176.7 | -72.9 | 169.5 | 169 | 0 | 0 | 111.5 | K1009 R1015 Q1016 H1017 | K1009-E1013 WeakPolarHBondContact CE-OE1 3.38Å; K1009-E1013 HydrophobicContact CG-CG 4.4Å; K1009-E1013 WeakPolarHBondContact CG-OE1 3.2Å; K1009-E1013 IonicContact NZ-OE1 2.71Å; K1009-E1013 WeakPolarHBondContact O-CB 3.38Å; K1009-E1013 WeakPolarHBondContact O-CG 3.29Å; K1009-E1013 PolarHBondContact O-N 2.88Å; E1013-R1015 PolarHBondContact O-N 3.03Å; E1013-Q1016 PolarHBondContact O-N 2.9Å; E1013-H1017 WeakPolarHBondContact O-CB 3.09Å; E1013-H1017 PolarHBondContact O-N 2.89Å |
| 1014 | R | 82.4 | Confident | 86.5 | Confident | 179 Ų | 179 | 104 Ų | 104 | 68% | 0.675 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.9 | -43.1 | 172.6 | -76.7 | 177.2 | -173.2 | 174.6 | 4.2 | 112 | T1010 H1017 V1018 | T1010-R1014 HydrophobicContact CG2-CG 4.43Å; T1010-R1014 VanDerWaalsContact O-CB 3.31Å; T1010-R1014 WeakPolarHBondContact O-CB 3.35Å; T1010-R1014 VanDerWaalsContact O-CG 3.24Å; T1010-R1014 WeakPolarHBondContact O-CG 3.49Å; T1010-R1014 PolarHBondContact O-N 3.42Å; R1014-H1017 PolarHBondContact O-N 3.4Å; R1014-V1018 WeakPolarHBondContact O-CG2 3.38Å; R1014-V1018 PolarHBondContact O-N 2.94Å |
| 1015 | R | 85.5 | Confident | 86.4 | Confident | 162 Ų | 162 | 100.3 Ų | 100.3 | 61% | 0.611 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61 | -47.5 | 177.1 | -170.2 | -175.6 | -58 | -173.6 | 0.9 | 111.4 | S1011 K1012 E1013 H1017 V1018 E1019 | S1011-R1015 WeakPolarHBondContact O-CB 3.48Å; S1011-R1015 PolarHBondContact O-N 2.94Å; K1012-R1015 PolarHBondContact O-N 3.41Å; E1013-R1015 PolarHBondContact O-N 3.03Å; R1015-H1017 VanDerWaalsContact C-N 3.31Å; R1015-H1017 PolarHBondContact O-N 3.35Å; R1015-V1018 PolarHBondContact O-N 3.38Å; R1015-E1019 WeakPolarHBondContact CG-OE1 3.32Å; R1015-E1019 WeakPolarHBondContact O-CB 3.37Å; R1015-E1019 WeakPolarHBondContact O-CG 3.5Å; R1015-E1019 PolarHBondContact O-N 2.83Å |
| 1016 | Q | 87.1 | Confident | 86.3 | Confident | 105 Ų | 105 | 97.6 Ų | 97.6 | 49% | 0.491 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.2 | -37.1 | 176 | -72.3 | 178 | -33.3 | 0 | 0 | 112.4 | K1012 E1013 A1020 | K1012-Q1016 WeakPolarHBondContact O-CG 3.34Å; K1012-Q1016 PolarHBondContact O-N 2.97Å; E1013-Q1016 PolarHBondContact O-N 2.9Å; Q1016-A1020 VanDerWaalsContact O-CB 3.31Å; Q1016-A1020 WeakPolarHBondContact O-CB 2.79Å; Q1016-A1020 PolarHBondContact O-N 2.95Å |
| 1017 | H | 83.2 | Confident | 86 | Confident | 123 Ų | 123 | 94.4 Ų | 94.4 | 57% | 0.569 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -70.1 | -38.9 | 176.9 | -164.1 | 49.6 | 0 | 0 | 0 | 112.2 | E1013 R1014 R1015 A1020 I1021 | E1013-H1017 WeakPolarHBondContact O-CB 3.09Å; E1013-H1017 PolarHBondContact O-N 2.89Å; R1014-H1017 PolarHBondContact O-N 3.4Å; R1015-H1017 VanDerWaalsContact C-N 3.31Å; R1015-H1017 PolarHBondContact O-N 3.35Å; H1017-A1020 PolarHBondContact O-N 3.48Å; H1017-I1021 WeakPolarHBondContact O-CB 3.49Å; H1017-I1021 VanDerWaalsContact O-CG1 3.27Å; H1017-I1021 WeakPolarHBondContact O-CG1 3.21Å; H1017-I1021 PolarHBondContact O-N 2.83Å |
| 1018 | V | 84.7 | Confident | 85.9 | Confident | 77 Ų | 77 | 93.9 Ų | 93.9 | 47% | 0.467 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.1 | -53 | 170.4 | 170.9 | 0 | 0 | 0 | 0 | 110 | R1014 R1015 A1020 I1021 E1022 | R1014-V1018 WeakPolarHBondContact O-CG2 3.38Å; R1014-V1018 PolarHBondContact O-N 2.94Å; R1015-V1018 PolarHBondContact O-N 3.38Å; V1018-A1020 VanDerWaalsContact C-N 3.25Å; V1018-A1020 PolarHBondContact O-N 3.35Å; V1018-I1021 PolarHBondContact O-N 2.76Å; V1018-I1021 VanDerWaalsContact O-N 3.1Å; V1018-E1022 HydrophobicContact CG1-CG 4.12Å; V1018-E1022 WeakPolarHBondContact O-CB 3.19Å; V1018-E1022 VanDerWaalsContact O-CG 3.29Å; V1018-E1022 WeakPolarHBondContact O-CG 3.14Å; V1018-E1022 PolarHBondContact O-N 3.07Å |
| 1019 | E | 87 | Confident | 85.7 | Confident | 108 Ų | 108 | 91.6 Ų | 91.6 | 51% | 0.505 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -55.4 | -38.3 | 177.8 | -72.7 | 167.3 | -171.5 | 0 | 0 | 112.5 | R1015 L1023 | R1015-E1019 WeakPolarHBondContact CG-OE1 3.32Å; R1015-E1019 WeakPolarHBondContact O-CB 3.37Å; R1015-E1019 WeakPolarHBondContact O-CG 3.5Å; R1015-E1019 PolarHBondContact O-N 2.83Å; E1019-L1023 WeakPolarHBondContact O-CB 3.49Å; E1019-L1023 PolarHBondContact O-N 3.35Å |
| 1020 | A | 87.3 | Confident | 85.3 | Confident | 52 Ų | 52 | 89.6 Ų | 89.6 | 43% | 0.43 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.9 | -45.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q1016 H1017 V1018 E1022 L1023 E1024 | Q1016-A1020 VanDerWaalsContact O-CB 3.31Å; Q1016-A1020 WeakPolarHBondContact O-CB 2.79Å; Q1016-A1020 PolarHBondContact O-N 2.95Å; H1017-A1020 PolarHBondContact O-N 3.48Å; V1018-A1020 VanDerWaalsContact C-N 3.25Å; V1018-A1020 PolarHBondContact O-N 3.35Å; A1020-E1022 VanDerWaalsContact C-N 3.31Å; A1020-E1022 PolarHBondContact O-N 3.37Å; A1020-L1023 PolarHBondContact O-N 2.74Å; A1020-E1024 WeakPolarHBondContact O-CB 3.29Å; A1020-E1024 PolarHBondContact O-N 2.76Å |
| 1021 | I | 82.6 | Confident | 85.2 | Confident | 77 Ų | 77 | 95.4 Ų | 95.4 | 40% | 0.395 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64 | -37.9 | 175.8 | -69.7 | 165.2 | 0 | 0 | 0 | 110.8 | H1017 V1018 L1023 S1025 | H1017-I1021 WeakPolarHBondContact O-CB 3.49Å; H1017-I1021 VanDerWaalsContact O-CG1 3.27Å; H1017-I1021 WeakPolarHBondContact O-CG1 3.21Å; H1017-I1021 PolarHBondContact O-N 2.83Å; V1018-I1021 PolarHBondContact O-N 2.76Å; V1018-I1021 VanDerWaalsContact O-N 3.1Å; I1021-L1023 VanDerWaalsContact C-N 3.35Å; I1021-S1025 WeakPolarHBondContact O-CB 3.38Å; I1021-S1025 PolarHBondContact O-N 3.23Å; I1021-S1025 PolarHBondContact O-OG 3.21Å |
| 1022 | E | 88.2 | Confident | 85.1 | Confident | 62 Ų | 62 | 97 Ų | 97 | 29% | 0.29 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 175.1 | -71.7 | -167.6 | 164.6 | 0 | 0 | 111.8 | V1018 A1020 K1026 Y1044 | V1018-E1022 HydrophobicContact CG1-CG 4.12Å; V1018-E1022 WeakPolarHBondContact O-CB 3.19Å; V1018-E1022 VanDerWaalsContact O-CG 3.29Å; V1018-E1022 WeakPolarHBondContact O-CG 3.14Å; V1018-E1022 PolarHBondContact O-N 3.07Å; A1020-E1022 VanDerWaalsContact C-N 3.31Å; A1020-E1022 PolarHBondContact O-N 3.37Å; E1022-K1026 VanDerWaalsContact O-CB 3.32Å; E1022-K1026 WeakPolarHBondContact O-CB 3.46Å; E1022-K1026 WeakPolarHBondContact O-CG 3.27Å; E1022-K1026 PolarHBondContact O-N 3.32Å; E1022-Y1044 HydrophobicContact CB-CD1 4.18Å; E1022-Y1044 HydrophobicContact CB-CD2 3.56Å; E1022-Y1044 HydrophobicContact CB-CE1 4.38Å; E1022-Y1044 HydrophobicContact CB-CE2 3.82Å; E1022-Y1044 HydrophobicContact CB-CG 3.76Å; E1022-Y1044 VanDerWaalsContact CD-CD1 3.43Å; E1022-Y1044 HydrophobicContact CG-CD1 3.45Å; E1022-Y1044 VanDerWaalsContact CG-CD1 3.45Å; E1022-Y1044 HydrophobicContact CG-CD2 3.81Å; E1022-Y1044 HydrophobicContact CG-CE1 3.72Å; E1022-Y1044 HydrophobicContact CG-CE2 4.09Å; E1022-Y1044 HydrophobicContact CG-CG 3.49Å; E1022-Y1044 VanDerWaalsContact CG-CG 3.49Å; E1022-Y1044 VanDerWaalsContact O-CE2 3.23Å; E1022-Y1044 WeakPolarHBondContact O-CE2 3.32Å; E1022-Y1044 WeakPolarHBondContact OE1-CB 3.16Å; E1022-Y1044 VanDerWaalsContact OE1-CD1 3.25Å; E1022-Y1044 WeakPolarHBondContact OE1-CD1 3.38Å; E1022-Y1044 WeakPolarHBondContact OE2-CB 3.49Å |
| 1023 | L | 86.1 | Confident | 84.6 | Confident | 110 Ų | 110 | 93.7 Ų | 93.7 | 58% | 0.576 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -68.5 | -48.4 | 175.5 | -162.6 | 85.3 | 0 | 0 | 0 | 111.7 | E1019 A1020 I1021 S1025 K1026 D1027 | E1019-L1023 WeakPolarHBondContact O-CB 3.49Å; E1019-L1023 PolarHBondContact O-N 3.35Å; A1020-L1023 PolarHBondContact O-N 2.74Å; I1021-L1023 VanDerWaalsContact C-N 3.35Å; L1023-S1025 VanDerWaalsContact C-N 3.32Å; L1023-S1025 PolarHBondContact O-N 3.43Å; L1023-K1026 WeakPolarHBondContact O-CB 3.46Å; L1023-K1026 PolarHBondContact O-N 3.43Å; L1023-D1027 PolarHBondContact O-N 2.87Å |
| 1024 | E | 86.4 | Confident | 84.1 | Confident | 140 Ų | 140 | 94.7 Ų | 94.7 | 65% | 0.654 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61.7 | -41.2 | 178.2 | -175.3 | 174.9 | -162.2 | 0 | 0 | 111.3 | A1020 D1027 L1028 | A1020-E1024 WeakPolarHBondContact O-CB 3.29Å; A1020-E1024 PolarHBondContact O-N 2.76Å; E1024-D1027 PolarHBondContact O-N 2.9Å; E1024-L1028 WeakPolarHBondContact O-CB 3.49Å; E1024-L1028 PolarHBondContact O-N 2.87Å |
| 1025 | S | 84.1 | Confident | 83.4 | Confident | 31 Ų | 31 | 92 Ų | 92 | 22% | 0.217 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 174.8 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | I1021 L1023 D1027 L1029 Y1044 | I1021-S1025 WeakPolarHBondContact O-CB 3.38Å; I1021-S1025 PolarHBondContact O-N 3.23Å; I1021-S1025 PolarHBondContact O-OG 3.21Å; L1023-S1025 VanDerWaalsContact C-N 3.32Å; L1023-S1025 PolarHBondContact O-N 3.43Å; S1025-D1027 VanDerWaalsContact C-N 3.35Å; S1025-D1027 PolarHBondContact O-N 2.89Å; S1025-L1029 VanDerWaalsContact O-CB 3.29Å; S1025-L1029 WeakPolarHBondContact O-CB 3.38Å; S1025-L1029 WeakPolarHBondContact O-CG 3.31Å; S1025-L1029 PolarHBondContact O-N 3.37Å; S1025-Y1044 WeakPolarHBondContact CB-OH 3.48Å; S1025-Y1044 PolarHBondContact OG-OH 2.97Å |
| 1026 | K | 86.9 | Confident | 83 | Confident | 34 Ų | 34 | 84.9 Ų | 84.9 | 15% | 0.148 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -57.7 | -45.6 | 173 | -91.7 | 165.7 | 165.6 | 173.7 | 0 | 111.4 | E1022 L1023 K1030 L1042 Y1044 W1047 | E1022-K1026 VanDerWaalsContact O-CB 3.32Å; E1022-K1026 WeakPolarHBondContact O-CB 3.46Å; E1022-K1026 WeakPolarHBondContact O-CG 3.27Å; E1022-K1026 PolarHBondContact O-N 3.32Å; L1023-K1026 WeakPolarHBondContact O-CB 3.46Å; L1023-K1026 PolarHBondContact O-N 3.43Å; K1026-K1030 VanDerWaalsContact O-CG 3.24Å; K1026-K1030 WeakPolarHBondContact O-CG 3.31Å; K1026-K1030 PolarHBondContact O-N 3Å; K1026-K1030 VanDerWaalsContact O-N 3.11Å; K1026-L1042 PolarHBondContact NZ-O 2.94Å; K1026-Y1044 HydrophobicContact CD-CD2 4.01Å; K1026-Y1044 HydrophobicContact CG-CD2 4.08Å; K1026-Y1044 HydrophobicContact CG-CE2 4.15Å; K1026-W1047 HydrophobicContact CB-CH2 4.13Å; K1026-W1047 HydrophobicContact CB-CZ2 4.43Å; K1026-W1047 HydrophobicContact CB-CZ3 4.19Å; K1026-W1047 HydrophobicContact CD-CD2 4.24Å; K1026-W1047 HydrophobicContact CD-CE3 4.35Å; K1026-W1047 VanDerWaalsContact CE-CG 3.45Å; K1026-W1047 HydrophobicContact CG-CD2 3.71Å; K1026-W1047 HydrophobicContact CG-CE3 3.47Å; K1026-W1047 VanDerWaalsContact CG-CE3 3.47Å; K1026-W1047 HydrophobicContact CG-CG 4.48Å; K1026-W1047 HydrophobicContact CG-CH2 3.85Å; K1026-W1047 HydrophobicContact CG-CZ2 4.07Å; K1026-W1047 HydrophobicContact CG-CZ3 3.55Å; K1026-W1047 WeakPolarHBondContact O-CH2 3.35Å |
| 1027 | D | 85 | Confident | 82.5 | Confident | 82 Ų | 82 | 84.4 Ų | 84.4 | 44% | 0.439 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -77.7 | -35.7 | -177.7 | -74.9 | -8.6 | 0 | 0 | 0 | 113.1 | L1023 E1024 S1025 K1030 R1031 | L1023-D1027 PolarHBondContact O-N 2.87Å; E1024-D1027 PolarHBondContact O-N 2.9Å; S1025-D1027 VanDerWaalsContact C-N 3.35Å; S1025-D1027 PolarHBondContact O-N 2.89Å; D1027-K1030 PolarHBondContact O-N 3.41Å; D1027-K1030 IonicContact OD1-NZ 2.7Å; D1027-K1030 PolarHBondContact OD1-NZ 2.82Å; D1027-R1031 WeakPolarHBondContact O-CB 3.29Å; D1027-R1031 PolarHBondContact O-N 3.5Å |
| 1028 | L | 85.9 | Confident | 82.5 | Confident | 75 Ų | 75 | 79.3 Ų | 79.3 | 39% | 0.393 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -58.9 | -46.6 | 170.4 | 178.3 | 61.1 | 0 | 0 | 0 | 111.2 | E1024 R1031 L1032 | E1024-L1028 WeakPolarHBondContact O-CB 3.49Å; E1024-L1028 PolarHBondContact O-N 2.87Å; L1028-R1031 PolarHBondContact O-N 2.82Å; L1028-L1032 HydrophobicContact CD1-CD1 4.06Å; L1028-L1032 HydrophobicContact CD1-CG 4.26Å; L1028-L1032 HydrophobicContact CG-CD1 4.01Å; L1028-L1032 VanDerWaalsContact O-CG 3.31Å; L1028-L1032 WeakPolarHBondContact O-CG 3.24Å; L1028-L1032 PolarHBondContact O-N 3.36Å |
| 1029 | L | 83.9 | Confident | 82.1 | Confident | 41 Ų | 41 | 79 Ų | 79 | 22% | 0.215 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -66.1 | -43.1 | 179.3 | -74.1 | 171.4 | 0 | 0 | 0 | 112.2 | S1025 R1031 L1032 F1033 W1047 L1048 F1051 | S1025-L1029 VanDerWaalsContact O-CB 3.29Å; S1025-L1029 WeakPolarHBondContact O-CB 3.38Å; S1025-L1029 WeakPolarHBondContact O-CG 3.31Å; S1025-L1029 PolarHBondContact O-N 3.37Å; L1029-R1031 VanDerWaalsContact C-N 3.28Å; L1029-R1031 PolarHBondContact O-N 3.43Å; L1029-L1032 PolarHBondContact O-N 2.87Å; L1029-F1033 PolarHBondContact O-N 2.85Å; L1029-W1047 HydrophobicContact CB-CH2 4.2Å; L1029-W1047 HydrophobicContact CB-CZ3 4.41Å; L1029-W1047 HydrophobicContact CD1-CZ3 4.04Å; L1029-L1048 HydrophobicContact CD1-CD2 3.47Å; L1029-L1048 VanDerWaalsContact CD1-CD2 3.47Å; L1029-F1051 HydrophobicContact CB-CD1 4.35Å; L1029-F1051 HydrophobicContact CB-CE1 3.8Å; L1029-F1051 HydrophobicContact CB-CE2 4.17Å; L1029-F1051 HydrophobicContact CB-CZ 3.69Å; L1029-F1051 HydrophobicContact CD1-CD1 4.36Å; L1029-F1051 HydrophobicContact CD1-CE1 4.43Å; L1029-F1051 HydrophobicContact CD2-CE1 3.91Å; L1029-F1051 HydrophobicContact CG-CE1 4.26Å; L1029-F1051 VanDerWaalsContact O-CZ 3.31Å; L1029-F1051 WeakPolarHBondContact O-CZ 3.31Å |
| 1030 | K | 82.8 | Confident | 81.5 | Confident | 88 Ų | 88 | 79.1 Ų | 79.1 | 38% | 0.383 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -57.4 | -40.1 | 171.2 | -69.7 | 167 | -157.9 | 162.9 | 0 | 112.1 | K1026 D1027 F1033 P1034 W1047 | K1026-K1030 VanDerWaalsContact O-CG 3.24Å; K1026-K1030 WeakPolarHBondContact O-CG 3.31Å; K1026-K1030 PolarHBondContact O-N 3Å; K1026-K1030 VanDerWaalsContact O-N 3.11Å; D1027-K1030 PolarHBondContact O-N 3.41Å; D1027-K1030 IonicContact OD1-NZ 2.7Å; D1027-K1030 PolarHBondContact OD1-NZ 2.82Å; K1030-F1033 CarbonylContact O-C 3.47Å; K1030-P1034 WeakPolarHBondContact O-CA 3.49Å; K1030-W1047 HydrophobicContact CG-CH2 4.43Å; K1030-W1047 HydrophobicContact CG-CZ2 4.19Å |
| 1031 | R | 83.9 | Confident | 81 | Confident | 170 Ų | 170 | 83.3 Ų | 83.3 | 64% | 0.642 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -69.9 | -35.5 | 179 | -173.4 | 177.5 | 64.5 | 78 | -5.6 | 112.6 | D1027 L1028 L1029 | D1027-R1031 WeakPolarHBondContact O-CB 3.29Å; D1027-R1031 PolarHBondContact O-N 3.5Å; L1028-R1031 PolarHBondContact O-N 2.82Å; L1029-R1031 VanDerWaalsContact C-N 3.28Å; L1029-R1031 PolarHBondContact O-N 3.43Å |
| 1032 | L | 79.8 | Confident | 81 | Confident | 95 Ų | 95 | 82.2 Ų | 82.2 | 50% | 0.497 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -76 | -30.1 | 177.6 | -70.1 | 172.1 | 0 | 0 | 0 | 112.8 | L1028 L1029 | L1028-L1032 HydrophobicContact CD1-CD1 4.06Å; L1028-L1032 HydrophobicContact CD1-CG 4.26Å; L1028-L1032 HydrophobicContact CG-CD1 4.01Å; L1028-L1032 VanDerWaalsContact O-CG 3.31Å; L1028-L1032 WeakPolarHBondContact O-CG 3.24Å; L1028-L1032 PolarHBondContact O-N 3.36Å; L1029-L1032 PolarHBondContact O-N 2.87Å |
| 1033 | F | 77.2 | Confident | 80.8 | Confident | 65 Ų | 65 | 83 Ų | 83 | 29% | 0.285 | 45% | 0.45 | S | S | . | . | trans | -130.9 | 74.5 | 176.3 | -55.3 | -88.1 | 0 | 0 | 0 | 112.1 | L1029 K1030 T1035 V1036 F1051 V1059 | L1029-F1033 PolarHBondContact O-N 2.85Å; K1030-F1033 CarbonylContact O-C 3.47Å; F1033-T1035 PolarHBondContact O-N 3.32Å; F1033-T1035 VanDerWaalsContact O-N 3.09Å; F1033-V1036 HydrophobicContact CB-CB 4.13Å; F1033-V1036 HydrophobicContact CB-CG2 3.84Å; F1033-V1036 PolarHBondContact O-N 2.77Å; F1033-F1051 HydrophobicContact CB-CZ 3.92Å; F1033-F1051 AromaticContact CD2-CE1 3.98Å; F1033-F1051 HydrophobicContact CD2-CE1 3.98Å; F1033-F1051 AromaticContact CD2-CZ 3.82Å; F1033-F1051 HydrophobicContact CD2-CZ 3.82Å; F1033-F1051 HydrophobicContact CG-CZ 4.24Å; F1033-V1059 HydrophobicContact CD1-CG2 4.47Å; F1033-V1059 HydrophobicContact CE1-CG2 3.57Å; F1033-V1059 HydrophobicContact CZ-CG2 4.13Å | ||
| 1034 | P | 77.1 | Confident | 80.7 | Confident | 112 Ų | 112 | 80 Ų | 80 | 73% | 0.727 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -23.6 | -174.1 | -24.8 | 35.4 | 0 | 0 | 0 | 114.9 | K1030 V1036 | K1030-P1034 WeakPolarHBondContact O-CA 3.49Å; P1034-V1036 VanDerWaalsContact C-N 3.33Å |
| 1035 | T | 66.1 | Low | 80.6 | Confident | 123 Ų | 123 | 76.2 Ų | 76.2 | 76% | 0.755 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -9.4 | 176.7 | 34.6 | 0 | 0 | 0 | 0 | 114 | F1033 | F1033-T1035 PolarHBondContact O-N 3.32Å; F1033-T1035 VanDerWaalsContact O-N 3.09Å |
| 1036 | V | 77.8 | Confident | 80.7 | Confident | 12 Ų | 12 | 79.1 Ų | 79.1 | 7% | 0.073 | 43% | 0.431 | C | S | . | . | trans | -95.7 | 97.5 | -177.8 | 177.3 | 0 | 0 | 0 | 0 | 111 | F1033 P1034 V1038 F1051 K1054 A1055 | F1033-V1036 HydrophobicContact CB-CB 4.13Å; F1033-V1036 HydrophobicContact CB-CG2 3.84Å; F1033-V1036 PolarHBondContact O-N 2.77Å; P1034-V1036 VanDerWaalsContact C-N 3.33Å; V1036-V1038 HydrophobicContact CG1-CG2 4.3Å; V1036-F1051 HydrophobicContact CB-CD2 4.43Å; V1036-F1051 HydrophobicContact CB-CE2 3.92Å; V1036-F1051 HydrophobicContact CB-CZ 4.32Å; V1036-F1051 HydrophobicContact CG1-CD2 3.64Å; V1036-F1051 HydrophobicContact CG1-CE2 3.62Å; V1036-F1051 HydrophobicContact CG1-CG 4.24Å; V1036-F1051 HydrophobicContact CG1-CZ 4.2Å; V1036-K1054 HydrophobicContact CG1-CB 3.59Å; V1036-K1054 HydrophobicContact CG1-CD 4.43Å; V1036-A1055 HydrophobicContact CG2-CB 4.4Å | ||
| 1037 | S | 77.4 | Confident | 81 | Confident | 95 Ų | 95 | 77.8 Ų | 77.8 | 66% | 0.664 | 43% | 0.425 | S | S | * | . | trans | -91.7 | 130.5 | 176.2 | -180 | 0 | 0 | 0 | 0 | 112.8 | K1054 | S1037-K1054 WeakPolarHBondContact O-CD 3.27Å; S1037-K1054 PolarHBondContact O-NZ 3.45Å | ||
| 1038 | V | 81.5 | Confident | 81 | Confident | 17 Ų | 17 | 76.5 Ų | 76.5 | 10% | 0.103 | 42% | 0.417 | C | S | . | . | trans | -137.4 | 136.4 | 178.8 | -178.9 | 0 | 0 | 0 | 0 | 109.8 | V1036 S1040 L1042 W1047 F1051 K1054 | V1036-V1038 HydrophobicContact CG1-CG2 4.3Å; V1038-S1040 PolarHBondContact O-N 3.18Å; V1038-L1042 HydrophobicContact CG1-CD1 4.3Å; V1038-W1047 HydrophobicContact CG1-CG 4.21Å; V1038-F1051 HydrophobicContact CG2-CB 4.01Å; V1038-F1051 HydrophobicContact CG2-CD2 4.09Å; V1038-K1054 HydrophobicContact CG2-CD 4.14Å | ||
| 1039 | P | 77.9 | Confident | 80.9 | Confident | 71 Ų | 71 | 80.5 Ų | 80.5 | 46% | 0.461 | 43% | 0.427 | S | S | . | . | trans | -56 | 133.2 | -179.7 | -26.4 | 35.4 | 0 | 0 | 0 | 114.1 | N1041 L1042 W1047 | P1039-N1041 VanDerWaalsContact C-N 3.31Å; P1039-N1041 WeakPolarHBondContact CB-OD1 3.35Å; P1039-N1041 PolarHBondContact O-N 3.2Å; P1039-L1042 HydrophobicContact CB-CD1 4.43Å; P1039-W1047 VanDerWaalsContact O-CD1 3.32Å | ||
| 1040 | S | 73.6 | Confident | 80.9 | Confident | 109 Ų | 109 | 79.9 Ų | 79.9 | 76% | 0.762 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -17.2 | -172.4 | -45 | 0 | 0 | 0 | 0 | 115 | V1038 L1042 | V1038-S1040 PolarHBondContact O-N 3.18Å; S1040-L1042 VanDerWaalsContact C-N 3.31Å; S1040-L1042 PolarHBondContact O-N 2.83Å |
| 1041 | N | 77.6 | Confident | 81 | Confident | 140 Ų | 140 | 76 Ų | 76 | 75% | 0.749 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 6.8 | -172.5 | 64.3 | -43 | 0 | 0 | 0 | 114.4 | P1039 | P1039-N1041 VanDerWaalsContact C-N 3.31Å; P1039-N1041 WeakPolarHBondContact CB-OD1 3.35Å; P1039-N1041 PolarHBondContact O-N 3.2Å |
| 1042 | L | 81.2 | Confident | 81 | Confident | 55 Ų | 55 | 72.4 Ų | 72.4 | 29% | 0.288 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -90.5 | 145.7 | -179.2 | -61.2 | 174.7 | 0 | 0 | 0 | 111.8 | K1026 V1038 P1039 S1040 E1046 W1047 | K1026-L1042 PolarHBondContact NZ-O 2.94Å; V1038-L1042 HydrophobicContact CG1-CD1 4.3Å; P1039-L1042 HydrophobicContact CB-CD1 4.43Å; S1040-L1042 VanDerWaalsContact C-N 3.31Å; S1040-L1042 PolarHBondContact O-N 2.83Å; L1042-E1046 HydrophobicContact CB-CB 4.29Å; L1042-W1047 HydrophobicContact CB-CB 4.09Å |
| 1043 | N | 84.4 | Confident | 81.1 | Confident | 78 Ų | 78 | 76 Ų | 76 | 42% | 0.417 | 42% | 0.416 | S | S | . | . | trans | -60 | 156.8 | 171.2 | 74.4 | 54.6 | 0 | 0 | 0 | 110.4 | S1045 E1046 W1047 | N1043-S1045 VanDerWaalsContact C-N 3.28Å; N1043-S1045 PolarHBondContact O-N 3.41Å; N1043-S1045 PolarHBondContact OD1-N 2.7Å; N1043-S1045 PolarHBondContact OD1-OG 2.89Å; N1043-E1046 PolarHBondContact ND2-OE1 2.96Å; N1043-E1046 PolarHBondContact ND2-OE2 3.49Å; N1043-E1046 PolarHBondContact O-N 3.29Å; N1043-E1046 PolarHBondContact OD1-N 3.27Å; N1043-W1047 VanDerWaalsContact O-CB 3.29Å; N1043-W1047 WeakPolarHBondContact O-CB 3.28Å; N1043-W1047 PolarHBondContact O-N 3.27Å | ||
| 1044 | Y | 84.8 | Confident | 81.2 | Confident | 46 Ų | 46 | 77.7 Ų | 77.7 | 18% | 0.18 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -58 | -38.5 | -170.8 | -179.2 | -110.7 | 0 | 0 | 0 | 113.5 | E1022 S1025 K1026 W1047 L1048 | E1022-Y1044 HydrophobicContact CB-CD1 4.18Å; E1022-Y1044 HydrophobicContact CB-CD2 3.56Å; E1022-Y1044 HydrophobicContact CB-CE1 4.38Å; E1022-Y1044 HydrophobicContact CB-CE2 3.82Å; E1022-Y1044 HydrophobicContact CB-CG 3.76Å; E1022-Y1044 VanDerWaalsContact CD-CD1 3.43Å; E1022-Y1044 HydrophobicContact CG-CD1 3.45Å; E1022-Y1044 VanDerWaalsContact CG-CD1 3.45Å; E1022-Y1044 HydrophobicContact CG-CD2 3.81Å; E1022-Y1044 HydrophobicContact CG-CE1 3.72Å; E1022-Y1044 HydrophobicContact CG-CE2 4.09Å; E1022-Y1044 HydrophobicContact CG-CG 3.49Å; E1022-Y1044 VanDerWaalsContact CG-CG 3.49Å; E1022-Y1044 VanDerWaalsContact O-CE2 3.23Å; E1022-Y1044 WeakPolarHBondContact O-CE2 3.32Å; E1022-Y1044 WeakPolarHBondContact OE1-CB 3.16Å; E1022-Y1044 VanDerWaalsContact OE1-CD1 3.25Å; E1022-Y1044 WeakPolarHBondContact OE1-CD1 3.38Å; E1022-Y1044 WeakPolarHBondContact OE2-CB 3.49Å; S1025-Y1044 WeakPolarHBondContact CB-OH 3.48Å; S1025-Y1044 PolarHBondContact OG-OH 2.97Å; K1026-Y1044 HydrophobicContact CD-CD2 4.01Å; K1026-Y1044 HydrophobicContact CG-CD2 4.08Å; K1026-Y1044 HydrophobicContact CG-CE2 4.15Å; Y1044-W1047 PolarHBondContact O-N 3.29Å; Y1044-L1048 HydrophobicContact CD1-CD1 3.88Å; Y1044-L1048 HydrophobicContact CD1-CG 4.48Å; Y1044-L1048 HydrophobicContact CD2-CG 4.39Å; Y1044-L1048 HydrophobicContact CE1-CD1 3.33Å; Y1044-L1048 HydrophobicContact CE1-CG 4.14Å; Y1044-L1048 HydrophobicContact CE2-CD1 4.08Å; Y1044-L1048 HydrophobicContact CE2-CD2 4.38Å; Y1044-L1048 HydrophobicContact CE2-CG 4Å; Y1044-L1048 HydrophobicContact CG-CD1 4.47Å; Y1044-L1048 VanDerWaalsContact CZ-CD1 3.45Å; Y1044-L1048 WeakPolarHBondContact O-CB 3.48Å; Y1044-L1048 WeakPolarHBondContact O-CG 3.27Å; Y1044-L1048 PolarHBondContact O-N 2.97Å |
| 1045 | S | 84.8 | Confident | 81 | Confident | 62 Ų | 62 | 72.9 Ų | 72.9 | 43% | 0.434 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -69.2 | -35.2 | 179.7 | 83.3 | 0 | 0 | 0 | 0 | 113.9 | N1043 R1049 | N1043-S1045 VanDerWaalsContact C-N 3.28Å; N1043-S1045 PolarHBondContact O-N 3.41Å; N1043-S1045 PolarHBondContact OD1-N 2.7Å; N1043-S1045 PolarHBondContact OD1-OG 2.89Å; S1045-R1049 WeakPolarHBondContact O-CB 3.49Å; S1045-R1049 PolarHBondContact O-N 3.23Å |
| 1046 | E | 85.3 | Confident | 81.3 | Confident | 92 Ų | 92 | 73.4 Ų | 73.4 | 43% | 0.43 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -77.7 | -40.2 | 175.6 | -76.9 | 164.8 | -158 | 0 | 0 | 111.4 | L1042 N1043 R1049 G1050 | L1042-E1046 HydrophobicContact CB-CB 4.29Å; N1043-E1046 PolarHBondContact ND2-OE1 2.96Å; N1043-E1046 PolarHBondContact ND2-OE2 3.49Å; N1043-E1046 PolarHBondContact O-N 3.29Å; N1043-E1046 PolarHBondContact OD1-N 3.27Å; E1046-R1049 PolarHBondContact O-N 2.78Å; E1046-G1050 PolarHBondContact O-N 3.33Å |
| 1047 | W | 92.2 | Very high | 80.7 | Confident | 6 Ų | 6 | 76.6 Ų | 76.6 | 2% | 0.023 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -59.8 | -49.2 | 175 | -173.1 | 91.8 | 0 | 0 | 0 | 110.9 | K1026 L1029 K1030 V1038 P1039 L1042 N1043 Y1044 R1049 G1050 F1051 | K1026-W1047 HydrophobicContact CB-CH2 4.13Å; K1026-W1047 HydrophobicContact CB-CZ2 4.43Å; K1026-W1047 HydrophobicContact CB-CZ3 4.19Å; K1026-W1047 HydrophobicContact CD-CD2 4.24Å; K1026-W1047 HydrophobicContact CD-CE3 4.35Å; K1026-W1047 VanDerWaalsContact CE-CG 3.45Å; K1026-W1047 HydrophobicContact CG-CD2 3.71Å; K1026-W1047 HydrophobicContact CG-CE3 3.47Å; K1026-W1047 VanDerWaalsContact CG-CE3 3.47Å; K1026-W1047 HydrophobicContact CG-CG 4.48Å; K1026-W1047 HydrophobicContact CG-CH2 3.85Å; K1026-W1047 HydrophobicContact CG-CZ2 4.07Å; K1026-W1047 HydrophobicContact CG-CZ3 3.55Å; K1026-W1047 WeakPolarHBondContact O-CH2 3.35Å; L1029-W1047 HydrophobicContact CB-CH2 4.2Å; L1029-W1047 HydrophobicContact CB-CZ3 4.41Å; L1029-W1047 HydrophobicContact CD1-CZ3 4.04Å; K1030-W1047 HydrophobicContact CG-CH2 4.43Å; K1030-W1047 HydrophobicContact CG-CZ2 4.19Å; V1038-W1047 HydrophobicContact CG1-CG 4.21Å; P1039-W1047 VanDerWaalsContact O-CD1 3.32Å; L1042-W1047 HydrophobicContact CB-CB 4.09Å; N1043-W1047 VanDerWaalsContact O-CB 3.29Å; N1043-W1047 WeakPolarHBondContact O-CB 3.28Å; N1043-W1047 PolarHBondContact O-N 3.27Å; Y1044-W1047 PolarHBondContact O-N 3.29Å; W1047-R1049 VanDerWaalsContact C-N 3.34Å; W1047-R1049 PolarHBondContact O-N 3.05Å; W1047-G1050 PolarHBondContact O-N 2.89Å; W1047-F1051 HydrophobicContact CE3-CB 4.31Å; W1047-F1051 HydrophobicContact CH2-CB 4.34Å; W1047-F1051 AromaticContact CH2-CD2 3.64Å; W1047-F1051 HydrophobicContact CH2-CD2 3.64Å; W1047-F1051 HydrophobicContact CH2-CE2 4.18Å; W1047-F1051 HydrophobicContact CH2-CG 4.05Å; W1047-F1051 AromaticContact CZ2-CD2 4Å; W1047-F1051 HydrophobicContact CZ2-CD2 4Å; W1047-F1051 HydrophobicContact CZ3-CB 4.11Å; W1047-F1051 HydrophobicContact CZ3-CD2 4.2Å; W1047-F1051 HydrophobicContact CZ3-CG 4.13Å; W1047-F1051 VanDerWaalsContact O-CB 3.29Å; W1047-F1051 WeakPolarHBondContact O-CB 3.33Å; W1047-F1051 PolarHBondContact O-N 3.49Å |
| 1048 | L | 85.7 | Confident | 79.9 | Confident | 54 Ų | 54 | 75.3 Ų | 75.3 | 28% | 0.283 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -58.3 | -44.2 | 175.8 | -85.9 | 179.2 | 0 | 0 | 0 | 112 | L1029 Y1044 F1051 E1052 | L1029-L1048 HydrophobicContact CD1-CD2 3.47Å; L1029-L1048 VanDerWaalsContact CD1-CD2 3.47Å; Y1044-L1048 HydrophobicContact CD1-CD1 3.88Å; Y1044-L1048 HydrophobicContact CD1-CG 4.48Å; Y1044-L1048 HydrophobicContact CD2-CG 4.39Å; Y1044-L1048 HydrophobicContact CE1-CD1 3.33Å; Y1044-L1048 HydrophobicContact CE1-CG 4.14Å; Y1044-L1048 HydrophobicContact CE2-CD1 4.08Å; Y1044-L1048 HydrophobicContact CE2-CD2 4.38Å; Y1044-L1048 HydrophobicContact CE2-CG 4Å; Y1044-L1048 HydrophobicContact CG-CD1 4.47Å; Y1044-L1048 VanDerWaalsContact CZ-CD1 3.45Å; Y1044-L1048 WeakPolarHBondContact O-CB 3.48Å; Y1044-L1048 WeakPolarHBondContact O-CG 3.27Å; Y1044-L1048 PolarHBondContact O-N 2.97Å; L1048-F1051 WeakPolarHBondContact O-CB 3.41Å; L1048-F1051 PolarHBondContact O-N 2.96Å; L1048-E1052 VanDerWaalsContact O-CB 3.29Å; L1048-E1052 WeakPolarHBondContact O-CB 3.39Å; L1048-E1052 PolarHBondContact O-N 2.97Å |
| 1049 | R | 84.7 | Confident | 78.8 | Confident | 159 Ų | 159 | 78 Ų | 78 | 60% | 0.6 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -67.1 | -38.4 | -179.4 | -159.8 | -175.6 | -42.7 | -166.3 | 8 | 112.2 | S1045 E1046 W1047 K1053 | S1045-R1049 WeakPolarHBondContact O-CB 3.49Å; S1045-R1049 PolarHBondContact O-N 3.23Å; E1046-R1049 PolarHBondContact O-N 2.78Å; W1047-R1049 VanDerWaalsContact C-N 3.34Å; W1047-R1049 PolarHBondContact O-N 3.05Å; R1049-K1053 WeakPolarHBondContact O-CB 3.48Å; R1049-K1053 PolarHBondContact O-N 2.83Å; R1049-K1053 VanDerWaalsContact O-N 3.14Å |
| 1050 | G | 82.6 | Confident | 77.6 | Confident | 28 Ų | 28 | 79.2 Ų | 79.2 | 29% | 0.289 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67.3 | -36.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E1046 W1047 K1054 | E1046-G1050 PolarHBondContact O-N 3.33Å; W1047-G1050 PolarHBondContact O-N 2.89Å; G1050-K1054 PolarHBondContact O-N 3.45Å |
| 1051 | F | 86.3 | Confident | 76.7 | Confident | 7 Ų | 7 | 77.1 Ų | 77.1 | 3% | 0.031 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -68.3 | -52.2 | 174.9 | -173.3 | -85.9 | 0 | 0 | 0 | 111.5 | L1029 F1033 V1036 V1038 W1047 L1048 K1053 K1054 A1055 | L1029-F1051 HydrophobicContact CB-CD1 4.35Å; L1029-F1051 HydrophobicContact CB-CE1 3.8Å; L1029-F1051 HydrophobicContact CB-CE2 4.17Å; L1029-F1051 HydrophobicContact CB-CZ 3.69Å; L1029-F1051 HydrophobicContact CD1-CD1 4.36Å; L1029-F1051 HydrophobicContact CD1-CE1 4.43Å; L1029-F1051 HydrophobicContact CD2-CE1 3.91Å; L1029-F1051 HydrophobicContact CG-CE1 4.26Å; L1029-F1051 VanDerWaalsContact O-CZ 3.31Å; L1029-F1051 WeakPolarHBondContact O-CZ 3.31Å; F1033-F1051 HydrophobicContact CB-CZ 3.92Å; F1033-F1051 AromaticContact CD2-CE1 3.98Å; F1033-F1051 HydrophobicContact CD2-CE1 3.98Å; F1033-F1051 AromaticContact CD2-CZ 3.82Å; F1033-F1051 HydrophobicContact CD2-CZ 3.82Å; F1033-F1051 HydrophobicContact CG-CZ 4.24Å; V1036-F1051 HydrophobicContact CB-CD2 4.43Å; V1036-F1051 HydrophobicContact CB-CE2 3.92Å; V1036-F1051 HydrophobicContact CB-CZ 4.32Å; V1036-F1051 HydrophobicContact CG1-CD2 3.64Å; V1036-F1051 HydrophobicContact CG1-CE2 3.62Å; V1036-F1051 HydrophobicContact CG1-CG 4.24Å; V1036-F1051 HydrophobicContact CG1-CZ 4.2Å; V1038-F1051 HydrophobicContact CG2-CB 4.01Å; V1038-F1051 HydrophobicContact CG2-CD2 4.09Å; W1047-F1051 HydrophobicContact CE3-CB 4.31Å; W1047-F1051 HydrophobicContact CH2-CB 4.34Å; W1047-F1051 AromaticContact CH2-CD2 3.64Å; W1047-F1051 HydrophobicContact CH2-CD2 3.64Å; W1047-F1051 HydrophobicContact CH2-CE2 4.18Å; W1047-F1051 HydrophobicContact CH2-CG 4.05Å; W1047-F1051 AromaticContact CZ2-CD2 4Å; W1047-F1051 HydrophobicContact CZ2-CD2 4Å; W1047-F1051 HydrophobicContact CZ3-CB 4.11Å; W1047-F1051 HydrophobicContact CZ3-CD2 4.2Å; W1047-F1051 HydrophobicContact CZ3-CG 4.13Å; W1047-F1051 VanDerWaalsContact O-CB 3.29Å; W1047-F1051 WeakPolarHBondContact O-CB 3.33Å; W1047-F1051 PolarHBondContact O-N 3.49Å; L1048-F1051 WeakPolarHBondContact O-CB 3.41Å; L1048-F1051 PolarHBondContact O-N 2.96Å; F1051-K1053 VanDerWaalsContact C-N 3.32Å; F1051-K1053 PolarHBondContact O-N 3.38Å; F1051-K1054 PolarHBondContact O-N 3.43Å; F1051-A1055 HydrophobicContact CD1-CB 4.24Å; F1051-A1055 HydrophobicContact CE1-CB 3.97Å; F1051-A1055 WeakPolarHBondContact O-CB 3.44Å; F1051-A1055 PolarHBondContact O-N 2.84Å |
| 1052 | E | 83.2 | Confident | 75.3 | Confident | 95 Ų | 95 | 76.4 Ų | 76.4 | 44% | 0.444 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -53.4 | -47.2 | 177.5 | -176.5 | -168.1 | -171.7 | 0 | 0 | 111.5 | L1048 K1054 A1055 K1056 | L1048-E1052 VanDerWaalsContact O-CB 3.29Å; L1048-E1052 WeakPolarHBondContact O-CB 3.39Å; L1048-E1052 PolarHBondContact O-N 2.97Å; E1052-K1054 VanDerWaalsContact C-N 3.26Å; E1052-K1054 PolarHBondContact O-N 2.85Å; E1052-A1055 PolarHBondContact O-N 3.39Å; E1052-K1056 HydrophobicContact CG-CD 4.15Å; E1052-K1056 HydrophobicContact CG-CG 4.5Å; E1052-K1056 WeakPolarHBondContact O-CB 3.26Å; E1052-K1056 WeakPolarHBondContact O-CG 3.32Å; E1052-K1056 PolarHBondContact O-N 2.68Å; E1052-K1056 WeakPolarHBondContact OE1-CE 3.39Å; E1052-K1056 IonicContact OE1-NZ 3.56Å; E1052-K1056 PolarHBondContact OE1-NZ 3.41Å |
| 1053 | K | 82.1 | Confident | 73.5 | Confident | 171 Ų | 171 | 79.8 Ų | 79.8 | 74% | 0.743 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -61.2 | -33.4 | 179.2 | -171.5 | 174.5 | -178.9 | 179.1 | 0 | 112.8 | R1049 F1051 | R1049-K1053 WeakPolarHBondContact O-CB 3.48Å; R1049-K1053 PolarHBondContact O-N 2.83Å; R1049-K1053 VanDerWaalsContact O-N 3.14Å; F1051-K1053 VanDerWaalsContact C-N 3.32Å; F1051-K1053 PolarHBondContact O-N 3.38Å |
| 1054 | K | 78.6 | Confident | 71.6 | Confident | 99 Ų | 99 | 82.8 Ų | 82.8 | 43% | 0.43 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -83.7 | -40.9 | 176.8 | -74.4 | 175.4 | 171.6 | 173.2 | 0 | 112.5 | V1036 S1037 V1038 G1050 F1051 E1052 K1056 A1057 C1058 | V1036-K1054 HydrophobicContact CG1-CB 3.59Å; V1036-K1054 HydrophobicContact CG1-CD 4.43Å; S1037-K1054 WeakPolarHBondContact O-CD 3.27Å; S1037-K1054 PolarHBondContact O-NZ 3.45Å; V1038-K1054 HydrophobicContact CG2-CD 4.14Å; G1050-K1054 PolarHBondContact O-N 3.45Å; F1051-K1054 PolarHBondContact O-N 3.43Å; E1052-K1054 VanDerWaalsContact C-N 3.26Å; E1052-K1054 PolarHBondContact O-N 2.85Å; K1054-K1056 VanDerWaalsContact C-N 3.34Å; K1054-K1056 PolarHBondContact O-N 2.82Å; K1054-A1057 WeakPolarHBondContact O-CB 3.42Å; K1054-A1057 PolarHBondContact O-N 2.86Å; K1054-A1057 VanDerWaalsContact O-N 3.09Å; K1054-C1058 PolarHBondContact O-N 3.27Å |
| 1055 | A | 74.4 | Confident | 70 | Confident | 11 Ų | 11 | 83.4 Ų | 83.4 | 9% | 0.091 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1036 F1051 E1052 A1057 C1058 V1059 | V1036-A1055 HydrophobicContact CG2-CB 4.4Å; F1051-A1055 HydrophobicContact CD1-CB 4.24Å; F1051-A1055 HydrophobicContact CE1-CB 3.97Å; F1051-A1055 WeakPolarHBondContact O-CB 3.44Å; F1051-A1055 PolarHBondContact O-N 2.84Å; E1052-A1055 PolarHBondContact O-N 3.39Å; A1055-A1057 PolarHBondContact O-N 2.99Å; A1055-C1058 PolarHBondContact O-N 3.07Å; A1055-V1059 WeakPolarHBondContact O-CG2 3.36Å; A1055-V1059 PolarHBondContact O-N 2.86Å |
| 1056 | K | 70.8 | Confident | 68.5 | Low | 135 Ų | 135 | 86.4 Ų | 86.4 | 59% | 0.587 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.7 | -28.3 | 173.3 | -76.8 | 179.5 | -178.5 | 174 | 0 | 113.6 | E1052 K1054 | E1052-K1056 HydrophobicContact CG-CD 4.15Å; E1052-K1056 HydrophobicContact CG-CG 4.5Å; E1052-K1056 WeakPolarHBondContact O-CB 3.26Å; E1052-K1056 WeakPolarHBondContact O-CG 3.32Å; E1052-K1056 PolarHBondContact O-N 2.68Å; E1052-K1056 WeakPolarHBondContact OE1-CE 3.39Å; E1052-K1056 IonicContact OE1-NZ 3.56Å; E1052-K1056 PolarHBondContact OE1-NZ 3.41Å; K1054-K1056 VanDerWaalsContact C-N 3.34Å; K1054-K1056 PolarHBondContact O-N 2.82Å |
| 1057 | A | 65.8 | Low | 67.2 | Low | 79 Ų | 79 | 85.3 Ų | 85.3 | 65% | 0.653 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -75.5 | -27.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | K1054 A1055 | K1054-A1057 WeakPolarHBondContact O-CB 3.42Å; K1054-A1057 PolarHBondContact O-N 2.86Å; K1054-A1057 VanDerWaalsContact O-N 3.09Å; A1055-A1057 PolarHBondContact O-N 2.99Å |
| 1058 | C | 60.4 | Low | 65.6 | Low | 67 Ų | 67 | 88.5 Ų | 88.5 | 45% | 0.453 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -84.3 | -31.3 | 176.3 | -64.4 | 0 | 0 | 0 | 0 | 113.6 | K1054 A1055 A1060 | K1054-C1058 PolarHBondContact O-N 3.27Å; A1055-C1058 PolarHBondContact O-N 3.07Å; C1058-A1060 VanDerWaalsContact C-N 3.32Å; C1058-A1060 PolarHBondContact O-N 3.22Å |
| 1059 | V | 58.7 | Low | 64.5 | Low | 75 Ų | 75 | 91.8 Ų | 91.8 | 46% | 0.455 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -80.3 | -10.1 | -175.3 | 174.1 | 0 | 0 | 0 | 0 | 113.3 | F1033 A1055 G1061 | F1033-V1059 HydrophobicContact CD1-CG2 4.47Å; F1033-V1059 HydrophobicContact CE1-CG2 3.57Å; F1033-V1059 HydrophobicContact CZ-CG2 4.13Å; A1055-V1059 WeakPolarHBondContact O-CG2 3.36Å; A1055-V1059 PolarHBondContact O-N 2.86Å; V1059-G1061 PolarHBondContact O-N 3.42Å |
| 1060 | A | 51.9 | Low | 63.7 | Low | 96 Ų | 96 | 88.9 Ų | 88.9 | 79% | 0.793 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | 12.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | C1058 | C1058-A1060 VanDerWaalsContact C-N 3.32Å; C1058-A1060 PolarHBondContact O-N 3.22Å |
| 1061 | G | 55.1 | Low | 63.1 | Low | 64 Ų | 64 | 93.2 Ų | 93.2 | 66% | 0.66 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.1 | -10.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | V1059 | V1059-G1061 PolarHBondContact O-N 3.42Š|
| 1062 | T | 49.3 | Very low | 62.1 | Low | 126 Ų | 126 | 98.5 Ų | 98.5 | 77% | 0.773 | 58% | 0.576 | S | S | * | * | trans | -145.5 | 138.9 | -177 | 48.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1063 | S | 43.4 | Very low | 61.5 | Low | 125 Ų | 125 | 99.7 Ų | 99.7 | 87% | 0.874 | 58% | 0.581 | S | S | * | * | trans | -137.6 | 130.5 | 173.6 | -178.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1064 | D | 44 | Very low | 61.1 | Low | 141 Ų | 141 | 100.1 Ų | 100.1 | 75% | 0.754 | 58% | 0.579 | S | S | * | * | trans | -135.2 | 136.4 | 175.8 | -166 | -0.9 | 0 | 0 | 0 | 109 | ||||
| 1065 | A | 51.8 | Low | 60.9 | Low | 60 Ų | 60 | 101.3 Ų | 101.3 | 50% | 0.496 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -99.5 | -17.3 | -152.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | V1068 | A1065-V1068 PolarHBondContact O-N 2.87Š|
| 1066 | E | 52 | Low | 61.2 | Low | 125 Ų | 125 | 106.8 Ų | 106.8 | 58% | 0.584 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -76.7 | -27.8 | -171.3 | -139.2 | 61.7 | -123.1 | 0 | 0 | 113.1 | V1068 K1069 | E1066-V1068 PolarHBondContact O-N 2.97Å; E1066-K1069 IonicContact OE1-NZ 3.32Å; E1066-K1069 PolarHBondContact OE1-NZ 2.89Å; E1066-K1069 IonicContact OE2-NZ 2.84Å |
| 1067 | A | 58 | Low | 61.6 | Low | 68 Ų | 68 | 105.4 Ų | 105.4 | 56% | 0.562 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -68.4 | -22.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1071 | A1067-L1071 WeakPolarHBondContact O-CG 3.34Å; A1067-L1071 PolarHBondContact O-N 3.49Å |
| 1068 | V | 58.9 | Low | 62.1 | Low | 74 Ų | 74 | 104 Ų | 104 | 45% | 0.448 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.4 | -44.2 | -176.4 | -178.5 | 0 | 0 | 0 | 0 | 111.2 | A1065 E1066 V1070 L1071 E1072 | A1065-V1068 PolarHBondContact O-N 2.87Å; E1066-V1068 PolarHBondContact O-N 2.97Å; V1068-V1070 PolarHBondContact O-N 3.3Å; V1068-L1071 PolarHBondContact O-N 3.31Å; V1068-L1071 VanDerWaalsContact O-N 3.15Å; V1068-E1072 HydrophobicContact CG1-CG 4.36Å; V1068-E1072 WeakPolarHBondContact O-CG 3.44Å; V1068-E1072 PolarHBondContact O-N 2.79Å |
| 1069 | K | 63.5 | Low | 62.8 | Low | 123 Ų | 123 | 103.5 Ų | 103.5 | 54% | 0.535 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64 | -36.4 | -175.6 | -61.6 | 173.3 | -169.7 | 159.1 | 0 | 113.4 | E1066 E1072 H1073 | E1066-K1069 IonicContact OE1-NZ 3.32Å; E1066-K1069 PolarHBondContact OE1-NZ 2.89Å; E1066-K1069 IonicContact OE2-NZ 2.84Å; K1069-E1072 PolarHBondContact O-N 3.36Å; K1069-H1073 PolarHBondContact O-N 3.39Å |
| 1070 | V | 67.3 | Low | 64.1 | Low | 98 Ų | 98 | 104.7 Ų | 104.7 | 59% | 0.594 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -70.9 | -34.8 | 177.6 | 178.8 | 0 | 0 | 0 | 0 | 111 | V1068 R1074 | V1068-V1070 PolarHBondContact O-N 3.3Å; V1070-R1074 PolarHBondContact O-N 2.84Å |
| 1071 | L | 68.9 | Low | 65.6 | Low | 119 Ų | 119 | 106 Ų | 106 | 62% | 0.623 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -71.1 | -37.7 | 174.1 | -68.8 | 171.4 | 0 | 0 | 0 | 111.7 | A1067 V1068 H1073 R1074 L1075 | A1067-L1071 WeakPolarHBondContact O-CG 3.34Å; A1067-L1071 PolarHBondContact O-N 3.49Å; V1068-L1071 PolarHBondContact O-N 3.31Å; V1068-L1071 VanDerWaalsContact O-N 3.15Å; L1071-H1073 PolarHBondContact O-N 3.41Å; L1071-R1074 PolarHBondContact O-N 3.39Å; L1071-L1075 VanDerWaalsContact O-CB 3.23Å; L1071-L1075 WeakPolarHBondContact O-CB 3.15Å; L1071-L1075 PolarHBondContact O-N 3.24Å |
| 1072 | E | 65.5 | Low | 67 | Low | 118 Ų | 118 | 108.3 Ų | 108.3 | 55% | 0.551 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -60.2 | -42.3 | 174.4 | -74.7 | 176.5 | 145 | 0 | 0 | 112.6 | V1068 K1069 L1075 K1076 | V1068-E1072 HydrophobicContact CG1-CG 4.36Å; V1068-E1072 WeakPolarHBondContact O-CG 3.44Å; V1068-E1072 PolarHBondContact O-N 2.79Å; K1069-E1072 PolarHBondContact O-N 3.36Å; E1072-L1075 PolarHBondContact O-N 2.79Å; E1072-K1076 PolarHBondContact O-N 3.48Å |
| 1073 | H | 71.7 | Confident | 69 | Low | 119 Ų | 119 | 106.3 Ų | 106.3 | 55% | 0.551 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.7 | -49.3 | 176.6 | -168.8 | -78.6 | 0 | 0 | 0 | 112.2 | K1069 L1071 L1075 K1076 E1077 | K1069-H1073 PolarHBondContact O-N 3.39Å; L1071-H1073 PolarHBondContact O-N 3.41Å; H1073-L1075 VanDerWaalsContact C-N 3.3Å; H1073-L1075 PolarHBondContact O-N 2.74Å; H1073-K1076 WeakPolarHBondContact O-CB 3.5Å; H1073-K1076 PolarHBondContact O-N 2.97Å; H1073-K1076 VanDerWaalsContact O-N 3.09Å; H1073-E1077 VanDerWaalsContact CE1-CD 3.4Å; H1073-E1077 IonicContact CE1-OE1 3.03Å; H1073-E1077 PolarHBondContact CE1-OE1 3.39Å; H1073-E1077 VanDerWaalsContact CE1-OE1 3.29Å; H1073-E1077 IonicContact CE1-OE2 3.24Å; H1073-E1077 VanDerWaalsContact ND1-CD 3.35Å; H1073-E1077 IonicContact ND1-OE1 2.67Å; H1073-E1077 IonicContact ND1-OE2 3.49Å; H1073-E1077 PolarHBondContact ND1-OE2 2.84Å; H1073-E1077 PolarHBondContact O-N 3.1Å; H1073-E1077 VanDerWaalsContact O-N 3.07Å |
| 1074 | R | 73.8 | Confident | 71.1 | Confident | 181 Ų | 181 | 106.2 Ų | 106.2 | 68% | 0.683 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65 | -33.4 | 178 | -80.3 | -173.7 | 163.8 | -161.6 | -4.2 | 112.9 | V1070 L1071 K1076 A1078 | V1070-R1074 PolarHBondContact O-N 2.84Å; L1071-R1074 PolarHBondContact O-N 3.39Å; R1074-K1076 VanDerWaalsContact C-N 3.3Å; R1074-A1078 VanDerWaalsContact O-CB 3.29Å; R1074-A1078 WeakPolarHBondContact O-CB 3.1Å; R1074-A1078 PolarHBondContact O-N 2.95Å |
| 1075 | L | 73.6 | Confident | 73.4 | Confident | 124 Ų | 124 | 104 Ų | 104 | 65% | 0.649 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.9 | -38.4 | 173 | -177.3 | 64.1 | 0 | 0 | 0 | 111 | L1071 E1072 H1073 S1079 | L1071-L1075 VanDerWaalsContact O-CB 3.23Å; L1071-L1075 WeakPolarHBondContact O-CB 3.15Å; L1071-L1075 PolarHBondContact O-N 3.24Å; E1072-L1075 PolarHBondContact O-N 2.79Å; H1073-L1075 VanDerWaalsContact C-N 3.3Å; H1073-L1075 PolarHBondContact O-N 2.74Å; L1075-S1079 WeakPolarHBondContact O-CB 3.37Å; L1075-S1079 PolarHBondContact O-N 3.24Å |
| 1076 | K | 81.1 | Confident | 75.1 | Confident | 126 Ų | 126 | 105.6 Ų | 105.6 | 55% | 0.548 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.7 | -50.8 | 176.4 | -160.8 | -173.1 | -177.5 | -119.8 | 0 | 112.1 | E1072 H1073 R1074 A1078 S1079 E1080 | E1072-K1076 PolarHBondContact O-N 3.48Å; H1073-K1076 WeakPolarHBondContact O-CB 3.5Å; H1073-K1076 PolarHBondContact O-N 2.97Å; H1073-K1076 VanDerWaalsContact O-N 3.09Å; R1074-K1076 VanDerWaalsContact C-N 3.3Å; K1076-A1078 VanDerWaalsContact C-N 3.31Å; K1076-A1078 PolarHBondContact O-N 3.15Å; K1076-S1079 WeakPolarHBondContact O-CA 3.15Å; K1076-S1079 WeakPolarHBondContact O-CB 3.19Å; K1076-S1079 PolarHBondContact O-N 2.85Å; K1076-S1079 PolarHBondContact O-OG 3.22Å; K1076-E1080 WeakPolarHBondContact CE-OE1 3.36Å; K1076-E1080 IonicContact NZ-OE1 3.6Å; K1076-E1080 PolarHBondContact NZ-OE1 2.85Å; K1076-E1080 PolarHBondContact O-N 3.43Å |
| 1077 | E | 79.5 | Confident | 77.1 | Confident | 105 Ų | 105 | 105.6 Ų | 105.6 | 49% | 0.491 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -57.9 | -43.1 | 176.6 | -67.2 | 171.3 | 131 | 0 | 0 | 111.8 | H1073 S1079 E1080 M1081 | H1073-E1077 VanDerWaalsContact CE1-CD 3.4Å; H1073-E1077 IonicContact CE1-OE1 3.03Å; H1073-E1077 PolarHBondContact CE1-OE1 3.39Å; H1073-E1077 VanDerWaalsContact CE1-OE1 3.29Å; H1073-E1077 IonicContact CE1-OE2 3.24Å; H1073-E1077 VanDerWaalsContact ND1-CD 3.35Å; H1073-E1077 IonicContact ND1-OE1 2.67Å; H1073-E1077 IonicContact ND1-OE2 3.49Å; H1073-E1077 PolarHBondContact ND1-OE2 2.84Å; H1073-E1077 PolarHBondContact O-N 3.1Å; H1073-E1077 VanDerWaalsContact O-N 3.07Å; E1077-S1079 VanDerWaalsContact C-N 3.33Å; E1077-S1079 PolarHBondContact O-N 3.48Å; E1077-E1080 PolarHBondContact O-N 2.92Å; E1077-M1081 PolarHBondContact O-N 3.39Å |
| 1078 | A | 75.4 | Confident | 78.5 | Confident | 49 Ų | 49 | 106.5 Ų | 106.5 | 41% | 0.405 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.3 | -36.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R1074 K1076 H1082 | R1074-A1078 VanDerWaalsContact O-CB 3.29Å; R1074-A1078 WeakPolarHBondContact O-CB 3.1Å; R1074-A1078 PolarHBondContact O-N 2.95Å; K1076-A1078 VanDerWaalsContact C-N 3.31Å; K1076-A1078 PolarHBondContact O-N 3.15Å; A1078-H1082 VanDerWaalsContact O-CB 3.32Å; A1078-H1082 WeakPolarHBondContact O-CB 3.12Å; A1078-H1082 PolarHBondContact O-N 2.94Å |
| 1079 | S | 74.8 | Confident | 80.1 | Confident | 58 Ų | 58 | 106.1 Ų | 106.1 | 41% | 0.406 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.1 | -40.6 | 176.5 | 76.9 | 0 | 0 | 0 | 0 | 112.5 | L1075 K1076 E1077 H1082 T1083 | L1075-S1079 WeakPolarHBondContact O-CB 3.37Å; L1075-S1079 PolarHBondContact O-N 3.24Å; K1076-S1079 WeakPolarHBondContact O-CA 3.15Å; K1076-S1079 WeakPolarHBondContact O-CB 3.19Å; K1076-S1079 PolarHBondContact O-N 2.85Å; K1076-S1079 PolarHBondContact O-OG 3.22Å; E1077-S1079 VanDerWaalsContact C-N 3.33Å; E1077-S1079 PolarHBondContact O-N 3.48Å; S1079-H1082 WeakPolarHBondContact O-CB 3.35Å; S1079-H1082 PolarHBondContact O-N 2.89Å; S1079-T1083 WeakPolarHBondContact O-CG2 3.39Å; S1079-T1083 PolarHBondContact O-N 2.81Å |
| 1080 | E | 86.6 | Confident | 81.5 | Confident | 100 Ų | 100 | 104.3 Ų | 104.3 | 47% | 0.467 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.6 | -45 | 177.5 | -69.6 | 172.8 | -171.1 | 0 | 0 | 110 | K1076 E1077 H1082 T1083 L1084 | K1076-E1080 WeakPolarHBondContact CE-OE1 3.36Å; K1076-E1080 IonicContact NZ-OE1 3.6Å; K1076-E1080 PolarHBondContact NZ-OE1 2.85Å; K1076-E1080 PolarHBondContact O-N 3.43Å; E1077-E1080 PolarHBondContact O-N 2.92Å; E1080-H1082 VanDerWaalsContact C-N 3.35Å; E1080-H1082 PolarHBondContact O-N 3.42Å; E1080-T1083 PolarHBondContact O-N 2.89Å; E1080-T1083 VanDerWaalsContact O-N 3.16Å; E1080-T1083 PolarHBondContact O-OG1 2.97Å; E1080-L1084 PolarHBondContact O-N 2.88Å; E1080-L1084 VanDerWaalsContact O-N 3.14Å |
| 1081 | M | 83.3 | Confident | 82.8 | Confident | 122 Ų | 122 | 106.7 Ų | 106.7 | 60% | 0.601 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.2 | -39.3 | 172.6 | -174.8 | 174.4 | 63.6 | 0 | 0 | 112.9 | E1077 L1084 L1085 | E1077-M1081 PolarHBondContact O-N 3.39Å; M1081-L1084 PolarHBondContact O-N 3.25Å; M1081-L1085 HydrophobicContact CG-CD1 4.19Å; M1081-L1085 PolarHBondContact O-N 3.45Å |
| 1082 | H | 84.7 | Confident | 84 | Confident | 113 Ų | 113 | 107.5 Ų | 107.5 | 52% | 0.523 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 173.9 | -177.6 | -73.1 | 0 | 0 | 0 | 111.6 | A1078 S1079 E1080 L1084 L1085 Q1086 | A1078-H1082 VanDerWaalsContact O-CB 3.32Å; A1078-H1082 WeakPolarHBondContact O-CB 3.12Å; A1078-H1082 PolarHBondContact O-N 2.94Å; S1079-H1082 WeakPolarHBondContact O-CB 3.35Å; S1079-H1082 PolarHBondContact O-N 2.89Å; E1080-H1082 VanDerWaalsContact C-N 3.35Å; E1080-H1082 PolarHBondContact O-N 3.42Å; H1082-L1084 PolarHBondContact O-N 2.92Å; H1082-L1085 PolarHBondContact O-N 2.97Å; H1082-Q1086 PolarHBondContact CE1-OE1 3.31Å; H1082-Q1086 VanDerWaalsContact O-CB 3.29Å; H1082-Q1086 WeakPolarHBondContact O-CB 3.08Å; H1082-Q1086 PolarHBondContact O-N 3.23Å |
| 1083 | T | 90.6 | Very high | 85.5 | Confident | 85 Ų | 85 | 107.3 Ų | 107.3 | 52% | 0.521 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.6 | -36.9 | 176.9 | 60.2 | 0 | 0 | 0 | 0 | 113.1 | S1079 E1080 Q1086 L1087 | S1079-T1083 WeakPolarHBondContact O-CG2 3.39Å; S1079-T1083 PolarHBondContact O-N 2.81Å; E1080-T1083 PolarHBondContact O-N 2.89Å; E1080-T1083 VanDerWaalsContact O-N 3.16Å; E1080-T1083 PolarHBondContact O-OG1 2.97Å; T1083-Q1086 PolarHBondContact O-N 3.48Å; T1083-L1087 PolarHBondContact O-N 2.96Å |
| 1084 | L | 89 | Confident | 86.6 | Confident | 122 Ų | 122 | 105.4 Ų | 105.4 | 64% | 0.639 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.4 | -44.8 | 176.9 | -173.6 | 65 | 0 | 0 | 0 | 111.8 | E1080 M1081 H1082 Q1086 L1087 E1088 | E1080-L1084 PolarHBondContact O-N 2.88Å; E1080-L1084 VanDerWaalsContact O-N 3.14Å; M1081-L1084 PolarHBondContact O-N 3.25Å; H1082-L1084 PolarHBondContact O-N 2.92Å; L1084-Q1086 VanDerWaalsContact C-N 3.31Å; L1084-Q1086 PolarHBondContact O-N 3.37Å; L1084-L1087 WeakPolarHBondContact O-CB 3.37Å; L1084-L1087 PolarHBondContact O-N 3.11Å; L1084-E1088 PolarHBondContact O-N 3Å |
| 1085 | L | 91.3 | Very high | 87.7 | Confident | 94 Ų | 94 | 100.4 Ų | 100.4 | 49% | 0.492 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.8 | -36.2 | 174.9 | -75.5 | 167.6 | 0 | 0 | 0 | 112.2 | M1081 H1082 E1088 C1089 | M1081-L1085 HydrophobicContact CG-CD1 4.19Å; M1081-L1085 PolarHBondContact O-N 3.45Å; H1082-L1085 PolarHBondContact O-N 2.97Å; L1085-E1088 PolarHBondContact O-N 3.44Å; L1085-C1089 WeakPolarHBondContact O-CB 3.47Å; L1085-C1089 PolarHBondContact O-N 3.04Å; L1085-C1089 PolarHBondContact O-SG 2.98Å |
| 1086 | Q | 88.5 | Confident | 88.5 | Confident | 94 Ų | 94 | 100 Ų | 100 | 44% | 0.439 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.6 | -46.2 | 173.4 | -172.3 | 105.9 | 15.4 | 0 | 0 | 110.8 | H1082 T1083 L1084 E1088 C1089 E1090 | H1082-Q1086 PolarHBondContact CE1-OE1 3.31Å; H1082-Q1086 VanDerWaalsContact O-CB 3.29Å; H1082-Q1086 WeakPolarHBondContact O-CB 3.08Å; H1082-Q1086 PolarHBondContact O-N 3.23Å; T1083-Q1086 PolarHBondContact O-N 3.48Å; L1084-Q1086 VanDerWaalsContact C-N 3.31Å; L1084-Q1086 PolarHBondContact O-N 3.37Å; Q1086-E1088 PolarHBondContact O-N 2.8Å; Q1086-C1089 PolarHBondContact O-N 3.09Å; Q1086-E1090 WeakPolarHBondContact O-CG 3.37Å; Q1086-E1090 PolarHBondContact O-N 3.43Å |
| 1087 | L | 93.1 | Very high | 89.1 | Confident | 125 Ų | 125 | 96.8 Ų | 96.8 | 65% | 0.654 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.2 | -41.9 | 175.5 | -100 | 154.8 | 0 | 0 | 0 | 112.5 | T1083 L1084 E1090 K1091 | T1083-L1087 PolarHBondContact O-N 2.96Å; L1084-L1087 WeakPolarHBondContact O-CB 3.37Å; L1084-L1087 PolarHBondContact O-N 3.11Å; L1087-E1090 PolarHBondContact O-N 3.19Å; L1087-K1091 PolarHBondContact O-N 2.82Å |
| 1088 | E | 88.6 | Confident | 89.8 | Confident | 88 Ų | 88 | 98 Ų | 98 | 41% | 0.411 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.5 | -42.2 | 175.2 | -149 | -169.1 | 154.4 | 0 | 0 | 111.5 | L1084 L1085 Q1086 K1091 Y1092 | L1084-E1088 PolarHBondContact O-N 3Å; L1085-E1088 PolarHBondContact O-N 3.44Å; Q1086-E1088 PolarHBondContact O-N 2.8Å; E1088-K1091 WeakPolarHBondContact O-CB 3.47Å; E1088-K1091 PolarHBondContact O-N 2.7Å; E1088-Y1092 HydrophobicContact CB-CE2 4.42Å; E1088-Y1092 HydrophobicContact CG-CD2 4.24Å; E1088-Y1092 HydrophobicContact CG-CE2 3.58Å; E1088-Y1092 WeakPolarHBondContact O-CD2 3.5Å; E1088-Y1092 PolarHBondContact O-N 3.44Å; E1088-Y1092 WeakPolarHBondContact OE1-CE2 3.43Å; E1088-Y1092 VanDerWaalsContact OE1-CZ 3.3Å; E1088-Y1092 PolarHBondContact OE1-OH 2.99Å |
| 1089 | C | 91.4 | Very high | 90.7 | Very high | 65 Ų | 65 | 98.6 Ų | 98.6 | 44% | 0.439 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63 | -40.9 | 175 | -70 | 0 | 0 | 0 | 0 | 112.9 | L1085 Q1086 K1091 Y1092 K1093 | L1085-C1089 WeakPolarHBondContact O-CB 3.47Å; L1085-C1089 PolarHBondContact O-N 3.04Å; L1085-C1089 PolarHBondContact O-SG 2.98Å; Q1086-C1089 PolarHBondContact O-N 3.09Å; C1089-K1091 VanDerWaalsContact C-N 3.32Å; C1089-Y1092 PolarHBondContact O-N 2.82Å; C1089-K1093 WeakPolarHBondContact O-CG 3.37Å; C1089-K1093 PolarHBondContact O-N 3.32Å |
| 1090 | E | 92.9 | Very high | 91.6 | Very high | 85 Ų | 85 | 101.1 Ų | 101.1 | 40% | 0.397 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.3 | -36.2 | 173.9 | -66.2 | -48.7 | 137.1 | 0 | 0 | 111.7 | Q1086 L1087 K1093 S1094 | Q1086-E1090 WeakPolarHBondContact O-CG 3.37Å; Q1086-E1090 PolarHBondContact O-N 3.43Å; L1087-E1090 PolarHBondContact O-N 3.19Å; E1090-K1093 PolarHBondContact O-N 3.45Å; E1090-K1093 IonicContact OE1-NZ 2.86Å; E1090-K1093 PolarHBondContact OE1-NZ 2.95Å; E1090-K1093 WeakPolarHBondContact OE2-CD 3.41Å; E1090-K1093 IonicContact OE2-NZ 2.67Å; E1090-S1094 WeakPolarHBondContact O-CB 3.37Å; E1090-S1094 PolarHBondContact O-N 3.41Å |
| 1091 | K | 93.6 | Very high | 92 | Very high | 148 Ų | 148 | 97.6 Ų | 97.6 | 64% | 0.643 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.1 | -45.2 | 172.4 | -171.5 | -179.4 | 179 | -176.5 | 0 | 111.8 | L1087 E1088 C1089 S1094 V1095 | L1087-K1091 PolarHBondContact O-N 2.82Å; E1088-K1091 WeakPolarHBondContact O-CB 3.47Å; E1088-K1091 PolarHBondContact O-N 2.7Å; C1089-K1091 VanDerWaalsContact C-N 3.32Å; K1091-S1094 PolarHBondContact O-N 3.46Å; K1091-V1095 WeakPolarHBondContact O-CG2 3.13Å; K1091-V1095 PolarHBondContact O-N 3.37Å |
| 1092 | Y | 95.3 | Very high | 92.6 | Very high | 137 Ų | 137 | 96.3 Ų | 96.3 | 54% | 0.537 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 174.8 | -70.5 | -58.3 | 0 | 0 | 0 | 112.2 | E1088 C1089 S1094 V1095 L1096 | E1088-Y1092 HydrophobicContact CB-CE2 4.42Å; E1088-Y1092 HydrophobicContact CG-CD2 4.24Å; E1088-Y1092 HydrophobicContact CG-CE2 3.58Å; E1088-Y1092 WeakPolarHBondContact O-CD2 3.5Å; E1088-Y1092 PolarHBondContact O-N 3.44Å; E1088-Y1092 WeakPolarHBondContact OE1-CE2 3.43Å; E1088-Y1092 VanDerWaalsContact OE1-CZ 3.3Å; E1088-Y1092 PolarHBondContact OE1-OH 2.99Å; C1089-Y1092 PolarHBondContact O-N 2.82Å; Y1092-S1094 VanDerWaalsContact C-N 3.33Å; Y1092-S1094 PolarHBondContact O-N 2.92Å; Y1092-V1095 PolarHBondContact O-N 3.28Å; Y1092-L1096 WeakPolarHBondContact O-CB 3.29Å; Y1092-L1096 VanDerWaalsContact O-CG 3.28Å; Y1092-L1096 WeakPolarHBondContact O-CG 3.37Å; Y1092-L1096 PolarHBondContact O-N 2.86Å |
| 1093 | K | 96.3 | Very high | 93.1 | Very high | 113 Ų | 113 | 96.3 Ų | 96.3 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.1 | -42.6 | 173.2 | -73.6 | 170.2 | -174.8 | 174.8 | 0 | 112.1 | C1089 E1090 L1096 A1097 | C1089-K1093 WeakPolarHBondContact O-CG 3.37Å; C1089-K1093 PolarHBondContact O-N 3.32Å; E1090-K1093 PolarHBondContact O-N 3.45Å; E1090-K1093 IonicContact OE1-NZ 2.86Å; E1090-K1093 PolarHBondContact OE1-NZ 2.95Å; E1090-K1093 WeakPolarHBondContact OE2-CD 3.41Å; E1090-K1093 IonicContact OE2-NZ 2.67Å; K1093-L1096 PolarHBondContact O-N 3.49Å; K1093-A1097 WeakPolarHBondContact O-CB 3.26Å; K1093-A1097 PolarHBondContact O-N 3.07Å |
| 1094 | S | 95.1 | Very high | 93.3 | Very high | 80 Ų | 80 | 95.6 Ų | 95.6 | 56% | 0.559 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.1 | -44.8 | 177.7 | -170.7 | 0 | 0 | 0 | 0 | 112 | E1090 K1091 Y1092 A1097 E1098 | E1090-S1094 WeakPolarHBondContact O-CB 3.37Å; E1090-S1094 PolarHBondContact O-N 3.41Å; K1091-S1094 PolarHBondContact O-N 3.46Å; Y1092-S1094 VanDerWaalsContact C-N 3.33Å; Y1092-S1094 PolarHBondContact O-N 2.92Å; S1094-A1097 PolarHBondContact O-N 3.28Å; S1094-E1098 PolarHBondContact O-N 3.01Å |
| 1095 | V | 96.4 | Very high | 93.6 | Very high | 76 Ų | 76 | 96.7 Ų | 96.7 | 46% | 0.461 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.4 | -41.6 | 176.3 | 174 | 0 | 0 | 0 | 0 | 110.8 | K1091 Y1092 E1098 T1099 | K1091-V1095 WeakPolarHBondContact O-CG2 3.13Å; K1091-V1095 PolarHBondContact O-N 3.37Å; Y1092-V1095 PolarHBondContact O-N 3.28Å; V1095-E1098 PolarHBondContact O-N 3.42Å; V1095-T1099 HydrophobicContact CG1-CG2 4.43Å; V1095-T1099 WeakPolarHBondContact O-CG2 3.29Å; V1095-T1099 PolarHBondContact O-N 3.4Å; V1095-T1099 PolarHBondContact O-OG1 3.17Å |
| 1096 | L | 91.9 | Very high | 93.8 | Very high | 114 Ų | 114 | 97.4 Ų | 97.4 | 60% | 0.597 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60 | -47.8 | 175.5 | -75.8 | 169.3 | 0 | 0 | 0 | 111.3 | Y1092 K1093 E1098 T1099 E1100 | Y1092-L1096 WeakPolarHBondContact O-CB 3.29Å; Y1092-L1096 VanDerWaalsContact O-CG 3.28Å; Y1092-L1096 WeakPolarHBondContact O-CG 3.37Å; Y1092-L1096 PolarHBondContact O-N 2.86Å; K1093-L1096 PolarHBondContact O-N 3.49Å; L1096-E1098 VanDerWaalsContact C-N 3.32Å; L1096-E1098 PolarHBondContact O-N 2.96Å; L1096-T1099 WeakPolarHBondContact CA-OG1 3.42Å; L1096-T1099 PolarHBondContact O-N 2.82Å; L1096-T1099 PolarHBondContact O-OG1 2.76Å; L1096-E1100 WeakPolarHBondContact O-CB 3.49Å; L1096-E1100 PolarHBondContact O-N 2.92Å |
| 1097 | A | 93.4 | Very high | 94.1 | Very high | 59 Ų | 59 | 98.2 Ų | 98.2 | 49% | 0.488 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.7 | -36.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | K1093 S1094 G1101 | K1093-A1097 WeakPolarHBondContact O-CB 3.26Å; K1093-A1097 PolarHBondContact O-N 3.07Å; S1094-A1097 PolarHBondContact O-N 3.28Å; A1097-G1101 PolarHBondContact O-N 3.37Å |
| 1098 | E | 92.6 | Very high | 94.2 | Very high | 130 Ų | 130 | 98.4 Ų | 98.4 | 61% | 0.607 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67.2 | -45.8 | 173.5 | -174.3 | 173.2 | -166.5 | 0 | 0 | 111.7 | S1094 V1095 L1096 E1100 G1101 I1102 | S1094-E1098 PolarHBondContact O-N 3.01Å; V1095-E1098 PolarHBondContact O-N 3.42Å; L1096-E1098 VanDerWaalsContact C-N 3.32Å; L1096-E1098 PolarHBondContact O-N 2.96Å; E1098-E1100 PolarHBondContact O-N 3.47Å; E1098-G1101 PolarHBondContact O-N 2.89Å; E1098-I1102 HydrophobicContact CG-CD1 4.35Å; E1098-I1102 WeakPolarHBondContact O-CG1 3.2Å; E1098-I1102 PolarHBondContact O-N 2.72Å |
| 1099 | T | 94.8 | Very high | 94.3 | Very high | 63 Ų | 63 | 97.5 Ų | 97.5 | 39% | 0.387 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.9 | -38.7 | 176.1 | 56.6 | 0 | 0 | 0 | 0 | 112.4 | V1095 L1096 I1102 L1103 | V1095-T1099 HydrophobicContact CG1-CG2 4.43Å; V1095-T1099 WeakPolarHBondContact O-CG2 3.29Å; V1095-T1099 PolarHBondContact O-N 3.4Å; V1095-T1099 PolarHBondContact O-OG1 3.17Å; L1096-T1099 WeakPolarHBondContact CA-OG1 3.42Å; L1096-T1099 PolarHBondContact O-N 2.82Å; L1096-T1099 PolarHBondContact O-OG1 2.76Å; T1099-I1102 PolarHBondContact O-N 2.76Å; T1099-L1103 WeakPolarHBondContact O-CB 3.19Å; T1099-L1103 VanDerWaalsContact O-CG 3.31Å; T1099-L1103 WeakPolarHBondContact O-CG 3.45Å; T1099-L1103 PolarHBondContact O-N 3.02Å |
| 1100 | E | 94.4 | Very high | 94.4 | Very high | 110 Ų | 110 | 97.6 Ų | 97.6 | 51% | 0.514 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 172.6 | -166.2 | -168 | 152.2 | 0 | 0 | 110.6 | L1096 E1098 I1102 L1103 Q1104 | L1096-E1100 WeakPolarHBondContact O-CB 3.49Å; L1096-E1100 PolarHBondContact O-N 2.92Å; E1098-E1100 PolarHBondContact O-N 3.47Å; E1100-I1102 VanDerWaalsContact C-N 3.29Å; E1100-I1102 PolarHBondContact O-N 2.78Å; E1100-L1103 PolarHBondContact O-N 2.95Å; E1100-Q1104 HydrophobicContact CG-CG 4.46Å; E1100-Q1104 WeakPolarHBondContact O-CB 3.48Å; E1100-Q1104 WeakPolarHBondContact O-CG 3.24Å; E1100-Q1104 PolarHBondContact O-N 3.2Å; E1100-Q1104 PolarHBondContact OE1-NE2 2.88Å |
| 1101 | G | 95.6 | Very high | 94.5 | Very high | 26 Ų | 26 | 98.1 Ų | 98.1 | 27% | 0.268 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.5 | -35.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.6 | A1097 E1098 K1105 | A1097-G1101 PolarHBondContact O-N 3.37Å; E1098-G1101 PolarHBondContact O-N 2.89Å; G1101-K1105 VanDerWaalsContact O-CG 3.3Å; G1101-K1105 WeakPolarHBondContact O-CG 3.1Å; G1101-K1105 PolarHBondContact O-N 3.48Å |
| 1102 | I | 95.4 | Very high | 94.5 | Very high | 96 Ų | 96 | 96.9 Ų | 96.9 | 49% | 0.492 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.7 | -46.8 | 172.8 | -67.3 | 166.8 | 0 | 0 | 0 | 110.6 | E1098 T1099 E1100 Q1104 K1105 L1106 | E1098-I1102 HydrophobicContact CG-CD1 4.35Å; E1098-I1102 WeakPolarHBondContact O-CG1 3.2Å; E1098-I1102 PolarHBondContact O-N 2.72Å; T1099-I1102 PolarHBondContact O-N 2.76Å; E1100-I1102 VanDerWaalsContact C-N 3.29Å; E1100-I1102 PolarHBondContact O-N 2.78Å; I1102-Q1104 PolarHBondContact O-N 2.92Å; I1102-K1105 WeakPolarHBondContact O-CB 3.45Å; I1102-K1105 PolarHBondContact O-N 3.37Å; I1102-K1105 VanDerWaalsContact O-N 3.1Å; I1102-L1106 PolarHBondContact O-N 3.3Å |
| 1103 | L | 95.1 | Very high | 94.3 | Very high | 113 Ų | 113 | 93.9 Ų | 93.9 | 59% | 0.592 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60 | -44 | 177.8 | -73 | 170.4 | 0 | 0 | 0 | 111.8 | T1099 E1100 K1105 L1106 Q1107 | T1099-L1103 WeakPolarHBondContact O-CB 3.19Å; T1099-L1103 VanDerWaalsContact O-CG 3.31Å; T1099-L1103 WeakPolarHBondContact O-CG 3.45Å; T1099-L1103 PolarHBondContact O-N 3.02Å; E1100-L1103 PolarHBondContact O-N 2.95Å; L1103-K1105 VanDerWaalsContact C-N 3.3Å; L1103-K1105 PolarHBondContact O-N 2.85Å; L1103-L1106 PolarHBondContact O-N 2.87Å; L1103-Q1107 WeakPolarHBondContact O-CB 3.44Å; L1103-Q1107 PolarHBondContact O-N 3.24Å |
| 1104 | Q | 95.2 | Very high | 94 | Very high | 69 Ų | 69 | 94.4 Ų | 94.4 | 32% | 0.322 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.1 | -32.4 | 174.9 | -68.4 | -178.4 | 15.2 | 0 | 0 | 112.6 | E1100 I1102 R1108 | E1100-Q1104 HydrophobicContact CG-CG 4.46Å; E1100-Q1104 WeakPolarHBondContact O-CB 3.48Å; E1100-Q1104 WeakPolarHBondContact O-CG 3.24Å; E1100-Q1104 PolarHBondContact O-N 3.2Å; E1100-Q1104 PolarHBondContact OE1-NE2 2.88Å; I1102-Q1104 PolarHBondContact O-N 2.92Å; Q1104-R1108 VanDerWaalsContact O-CG 3.29Å; Q1104-R1108 WeakPolarHBondContact O-CG 3.12Å; Q1104-R1108 PolarHBondContact O-N 2.66Å; Q1104-R1108 VanDerWaalsContact O-N 3.13Å; Q1104-R1108 PolarHBondContact O-NH1 3.49Å |
| 1105 | K | 94.6 | Very high | 93.8 | Very high | 146 Ų | 146 | 93.7 Ų | 93.7 | 64% | 0.635 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -69.6 | -42.9 | 173.7 | -76.7 | 169.5 | -176.9 | 173.5 | 0 | 111.1 | G1101 I1102 L1103 S1109 | G1101-K1105 VanDerWaalsContact O-CG 3.3Å; G1101-K1105 WeakPolarHBondContact O-CG 3.1Å; G1101-K1105 PolarHBondContact O-N 3.48Å; I1102-K1105 WeakPolarHBondContact O-CB 3.45Å; I1102-K1105 PolarHBondContact O-N 3.37Å; I1102-K1105 VanDerWaalsContact O-N 3.1Å; L1103-K1105 VanDerWaalsContact C-N 3.3Å; L1103-K1105 PolarHBondContact O-N 2.85Å; K1105-S1109 WeakPolarHBondContact O-CB 3.48Å; K1105-S1109 PolarHBondContact O-N 3.32Å |
| 1106 | L | 95.1 | Very high | 93.8 | Very high | 108 Ų | 108 | 94.9 Ų | 94.9 | 57% | 0.565 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.6 | -46.7 | 176 | -175.3 | 63.3 | 0 | 0 | 0 | 111 | I1102 L1103 R1108 S1109 V1110 | I1102-L1106 PolarHBondContact O-N 3.3Å; L1103-L1106 PolarHBondContact O-N 2.87Å; L1106-R1108 PolarHBondContact O-N 2.83Å; L1106-S1109 WeakPolarHBondContact O-CB 3.4Å; L1106-S1109 PolarHBondContact O-N 2.87Å; L1106-S1109 VanDerWaalsContact O-N 3.13Å; L1106-V1110 WeakPolarHBondContact O-CG2 3.49Å; L1106-V1110 PolarHBondContact O-N 2.95Å |
| 1107 | Q | 94.3 | Very high | 93.8 | Very high | 112 Ų | 112 | 96.6 Ų | 96.6 | 52% | 0.523 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -55.2 | -53.9 | 175.6 | 179.4 | 179.5 | -11 | 0 | 0 | 111.5 | L1103 S1109 V1110 E1111 | L1103-Q1107 WeakPolarHBondContact O-CB 3.44Å; L1103-Q1107 PolarHBondContact O-N 3.24Å; Q1107-S1109 PolarHBondContact O-N 3.43Å; Q1107-V1110 PolarHBondContact O-N 2.92Å; Q1107-V1110 VanDerWaalsContact O-N 3.08Å; Q1107-E1111 HydrophobicContact CG-CG 4.32Å; Q1107-E1111 VanDerWaalsContact CG-OE1 3.29Å; Q1107-E1111 WeakPolarHBondContact CG-OE1 3.28Å; Q1107-E1111 PolarHBondContact NE2-OE1 2.95Å; Q1107-E1111 WeakPolarHBondContact O-CG 3.49Å; Q1107-E1111 PolarHBondContact O-N 2.84Å |
| 1108 | R | 95.4 | Very high | 93.9 | Very high | 129 Ų | 129 | 100.7 Ų | 100.7 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.9 | -35.6 | 177.2 | -69.7 | 178.3 | -156.9 | 99.3 | -2.3 | 112.6 | Q1104 L1106 Q1112 | Q1104-R1108 VanDerWaalsContact O-CG 3.29Å; Q1104-R1108 WeakPolarHBondContact O-CG 3.12Å; Q1104-R1108 PolarHBondContact O-N 2.66Å; Q1104-R1108 VanDerWaalsContact O-N 3.13Å; Q1104-R1108 PolarHBondContact O-NH1 3.49Å; L1106-R1108 PolarHBondContact O-N 2.83Å; R1108-Q1112 VanDerWaalsContact O-CB 3.26Å; R1108-Q1112 WeakPolarHBondContact O-CB 3.32Å; R1108-Q1112 PolarHBondContact O-N 2.6Å |
| 1109 | S | 92.4 | Very high | 94 | Very high | 68 Ų | 68 | 98.7 Ų | 98.7 | 48% | 0.476 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68 | -38.8 | 176.6 | -168.8 | 0 | 0 | 0 | 0 | 112.2 | K1105 L1106 Q1107 E1113 | K1105-S1109 WeakPolarHBondContact O-CB 3.48Å; K1105-S1109 PolarHBondContact O-N 3.32Å; L1106-S1109 WeakPolarHBondContact O-CB 3.4Å; L1106-S1109 PolarHBondContact O-N 2.87Å; L1106-S1109 VanDerWaalsContact O-N 3.13Å; Q1107-S1109 PolarHBondContact O-N 3.43Å; S1109-E1113 WeakPolarHBondContact O-CB 3.5Å; S1109-E1113 PolarHBondContact O-N 2.88Å; S1109-E1113 VanDerWaalsContact O-N 3.11Å |
| 1110 | V | 91.8 | Very high | 93.9 | Very high | 68 Ų | 68 | 101.1 Ų | 101.1 | 41% | 0.412 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.8 | -49.6 | 175.5 | 172.4 | 0 | 0 | 0 | 0 | 110.2 | L1106 Q1107 Q1112 E1113 E1114 | L1106-V1110 WeakPolarHBondContact O-CG2 3.49Å; L1106-V1110 PolarHBondContact O-N 2.95Å; Q1107-V1110 PolarHBondContact O-N 2.92Å; Q1107-V1110 VanDerWaalsContact O-N 3.08Å; V1110-Q1112 VanDerWaalsContact C-N 3.28Å; V1110-Q1112 PolarHBondContact O-N 3.49Å; V1110-E1113 PolarHBondContact O-N 2.69Å; V1110-E1114 HydrophobicContact CG1-CG 4.25Å; V1110-E1114 WeakPolarHBondContact O-CG 3.27Å; V1110-E1114 PolarHBondContact O-N 2.85Å |
| 1111 | E | 95.5 | Very high | 93.4 | Very high | 95 Ų | 95 | 98.5 Ų | 98.5 | 44% | 0.444 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -56.2 | -40.8 | 176.5 | -70.7 | 168.9 | 173.9 | 0 | 0 | 112.2 | Q1107 S1115 | Q1107-E1111 HydrophobicContact CG-CG 4.32Å; Q1107-E1111 VanDerWaalsContact CG-OE1 3.29Å; Q1107-E1111 WeakPolarHBondContact CG-OE1 3.28Å; Q1107-E1111 PolarHBondContact NE2-OE1 2.95Å; Q1107-E1111 WeakPolarHBondContact O-CG 3.49Å; Q1107-E1111 PolarHBondContact O-N 2.84Å; E1111-S1115 WeakPolarHBondContact O-CB 3.39Å; E1111-S1115 PolarHBondContact O-N 3.29Å |
| 1112 | Q | 94.7 | Very high | 93.2 | Very high | 123 Ų | 123 | 100.7 Ų | 100.7 | 58% | 0.575 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67.4 | -38.7 | 176 | -169.3 | -178.1 | 18 | 0 | 0 | 112.1 | R1108 V1110 S1115 K1116 | R1108-Q1112 VanDerWaalsContact O-CB 3.26Å; R1108-Q1112 WeakPolarHBondContact O-CB 3.32Å; R1108-Q1112 PolarHBondContact O-N 2.6Å; V1110-Q1112 VanDerWaalsContact C-N 3.28Å; V1110-Q1112 PolarHBondContact O-N 3.49Å; Q1112-S1115 WeakPolarHBondContact O-CB 3.37Å; Q1112-S1115 PolarHBondContact O-N 3.36Å; Q1112-K1116 WeakPolarHBondContact O-CG 3.35Å; Q1112-K1116 PolarHBondContact O-N 3.46Å; Q1112-K1116 VanDerWaalsContact O-N 3.14Å |
| 1113 | E | 89.8 | Confident | 93.1 | Very high | 73 Ų | 73 | 100.9 Ų | 100.9 | 34% | 0.341 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -71.9 | -43.7 | 179 | -161.3 | 56.8 | -148.2 | 0 | 0 | 111.1 | S1109 V1110 S1115 K1116 W1117 | S1109-E1113 WeakPolarHBondContact O-CB 3.5Å; S1109-E1113 PolarHBondContact O-N 2.88Å; S1109-E1113 VanDerWaalsContact O-N 3.11Å; V1110-E1113 PolarHBondContact O-N 2.69Å; E1113-S1115 VanDerWaalsContact C-N 3.27Å; E1113-S1115 PolarHBondContact O-N 2.8Å; E1113-K1116 WeakPolarHBondContact O-CB 3.37Å; E1113-K1116 PolarHBondContact O-N 3.43Å; E1113-K1116 VanDerWaalsContact O-N 3.11Å; E1113-K1116 WeakPolarHBondContact OE2-CD 3.48Å; E1113-K1116 WeakPolarHBondContact OE2-CE 3.26Å; E1113-K1116 IonicContact OE2-NZ 3.15Å; E1113-K1116 PolarHBondContact OE2-NZ 2.95Å; E1113-W1117 PolarHBondContact O-N 3.14Å; E1113-W1117 PolarHBondContact OE1-NE1 2.84Å |
| 1114 | E | 89.9 | Confident | 92.7 | Very high | 125 Ų | 125 | 98.5 Ų | 98.5 | 58% | 0.584 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -54.5 | -42.5 | 169.8 | -73.1 | -177.9 | 172.2 | 0 | 0 | 111.8 | V1110 K1116 W1117 K1118 | V1110-E1114 HydrophobicContact CG1-CG 4.25Å; V1110-E1114 WeakPolarHBondContact O-CG 3.27Å; V1110-E1114 PolarHBondContact O-N 2.85Å; E1114-K1116 PolarHBondContact O-N 2.8Å; E1114-W1117 PolarHBondContact O-N 2.78Å; E1114-K1118 VanDerWaalsContact O-CB 3.26Å; E1114-K1118 WeakPolarHBondContact O-CB 3.41Å; E1114-K1118 PolarHBondContact O-N 2.67Å |
| 1115 | S | 92.5 | Very high | 92.4 | Very high | 64 Ų | 64 | 100.4 Ų | 100.4 | 45% | 0.448 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 175.3 | -171.3 | 0 | 0 | 0 | 0 | 112.4 | E1111 Q1112 E1113 K1118 I1119 | E1111-S1115 WeakPolarHBondContact O-CB 3.39Å; E1111-S1115 PolarHBondContact O-N 3.29Å; Q1112-S1115 WeakPolarHBondContact O-CB 3.37Å; Q1112-S1115 PolarHBondContact O-N 3.36Å; E1113-S1115 VanDerWaalsContact C-N 3.27Å; E1113-S1115 PolarHBondContact O-N 2.8Å; S1115-K1118 PolarHBondContact O-N 2.73Å; S1115-I1119 WeakPolarHBondContact O-CG1 3.35Å; S1115-I1119 PolarHBondContact O-N 3.49Å |
| 1116 | K | 95.5 | Very high | 92.5 | Very high | 102 Ų | 102 | 100.1 Ų | 100.1 | 44% | 0.443 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.3 | -47.3 | 174.9 | -65.8 | 172.6 | -155.8 | 161 | 0 | 111.8 | Q1112 E1113 E1114 K1118 I1119 K1120 | Q1112-K1116 WeakPolarHBondContact O-CG 3.35Å; Q1112-K1116 PolarHBondContact O-N 3.46Å; Q1112-K1116 VanDerWaalsContact O-N 3.14Å; E1113-K1116 WeakPolarHBondContact O-CB 3.37Å; E1113-K1116 PolarHBondContact O-N 3.43Å; E1113-K1116 VanDerWaalsContact O-N 3.11Å; E1113-K1116 WeakPolarHBondContact OE2-CD 3.48Å; E1113-K1116 WeakPolarHBondContact OE2-CE 3.26Å; E1113-K1116 IonicContact OE2-NZ 3.15Å; E1113-K1116 PolarHBondContact OE2-NZ 2.95Å; E1114-K1116 PolarHBondContact O-N 2.8Å; K1116-K1118 VanDerWaalsContact C-N 3.3Å; K1116-K1118 PolarHBondContact O-N 3.33Å; K1116-I1119 PolarHBondContact O-N 3.41Å; K1116-K1120 WeakPolarHBondContact O-CB 3.28Å; K1116-K1120 PolarHBondContact O-N 3.45Å |
| 1117 | W | 91.4 | Very high | 92.4 | Very high | 149 Ų | 149 | 101.2 Ų | 101.2 | 56% | 0.564 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.9 | -35.4 | 179.8 | -72.7 | 109.1 | 0 | 0 | 0 | 112.2 | E1113 E1114 K1120 A1121 | E1113-W1117 PolarHBondContact O-N 3.14Å; E1113-W1117 PolarHBondContact OE1-NE1 2.84Å; E1114-W1117 PolarHBondContact O-N 2.78Å; W1117-K1120 HydrophobicContact CE3-CD 4.29Å; W1117-K1120 HydrophobicContact CZ3-CD 4.04Å; W1117-K1120 PolarHBondContact O-N 2.97Å; W1117-A1121 WeakPolarHBondContact O-CB 3.18Å; W1117-A1121 PolarHBondContact O-N 2.76Å |
| 1118 | K | 95.2 | Very high | 92.2 | Very high | 145 Ų | 145 | 100 Ų | 100 | 63% | 0.63 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63 | -48.5 | 172.7 | -172.2 | 173.2 | -177 | 175.5 | 0 | 112 | E1114 S1115 K1116 K1120 A1121 D1122 | E1114-K1118 VanDerWaalsContact O-CB 3.26Å; E1114-K1118 WeakPolarHBondContact O-CB 3.41Å; E1114-K1118 PolarHBondContact O-N 2.67Å; S1115-K1118 PolarHBondContact O-N 2.73Å; K1116-K1118 VanDerWaalsContact C-N 3.3Å; K1116-K1118 PolarHBondContact O-N 3.33Å; K1118-K1120 VanDerWaalsContact C-N 3.33Å; K1118-K1120 PolarHBondContact O-N 3.42Å; K1118-A1121 PolarHBondContact O-N 3.08Å; K1118-D1122 PolarHBondContact O-N 3.47Å |
| 1119 | I | 95 | Very high | 92.2 | Very high | 88 Ų | 88 | 99.1 Ų | 99.1 | 45% | 0.451 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.4 | -45.9 | 175.7 | -67.9 | 164.4 | 0 | 0 | 0 | 110.7 | S1115 K1116 A1121 D1122 E1123 | S1115-I1119 WeakPolarHBondContact O-CG1 3.35Å; S1115-I1119 PolarHBondContact O-N 3.49Å; K1116-I1119 PolarHBondContact O-N 3.41Å; I1119-A1121 VanDerWaalsContact C-N 3.33Å; I1119-A1121 PolarHBondContact O-N 2.9Å; I1119-D1122 PolarHBondContact O-N 3.45Å; I1119-E1123 HydrophobicContact CG2-CG 4.49Å; I1119-E1123 WeakPolarHBondContact O-CG 3.46Å; I1119-E1123 PolarHBondContact O-N 3.25Å |
| 1120 | K | 92.9 | Very high | 92.3 | Very high | 115 Ų | 115 | 100 Ų | 100 | 50% | 0.5 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.2 | -33.8 | 179.9 | -167.4 | 171.4 | -177.3 | 178 | 0 | 112.7 | K1116 W1117 K1118 S1124 | K1116-K1120 WeakPolarHBondContact O-CB 3.28Å; K1116-K1120 PolarHBondContact O-N 3.45Å; W1117-K1120 HydrophobicContact CE3-CD 4.29Å; W1117-K1120 HydrophobicContact CZ3-CD 4.04Å; W1117-K1120 PolarHBondContact O-N 2.97Å; K1118-K1120 VanDerWaalsContact C-N 3.33Å; K1118-K1120 PolarHBondContact O-N 3.42Å; K1120-S1124 WeakPolarHBondContact O-CB 3.49Å; K1120-S1124 PolarHBondContact O-N 3.27Å; K1120-S1124 PolarHBondContact O-OG 2.83Å |
| 1121 | A | 83.8 | Confident | 92.3 | Very high | 54 Ų | 54 | 101.6 Ų | 101.6 | 45% | 0.446 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.4 | -45.6 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | W1117 K1118 I1119 E1123 S1124 Q1125 | W1117-A1121 WeakPolarHBondContact O-CB 3.18Å; W1117-A1121 PolarHBondContact O-N 2.76Å; K1118-A1121 PolarHBondContact O-N 3.08Å; I1119-A1121 VanDerWaalsContact C-N 3.33Å; I1119-A1121 PolarHBondContact O-N 2.9Å; A1121-E1123 VanDerWaalsContact C-N 3.32Å; A1121-E1123 PolarHBondContact O-N 3.4Å; A1121-S1124 PolarHBondContact O-N 2.9Å; A1121-Q1125 WeakPolarHBondContact O-CB 3.28Å; A1121-Q1125 PolarHBondContact O-N 2.7Å |
| 1122 | D | 92.3 | Very high | 92.2 | Very high | 73 Ų | 73 | 104 Ų | 104 | 39% | 0.39 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63 | -36.1 | 176.5 | -72.6 | -28.2 | 0 | 0 | 0 | 112.3 | K1118 I1119 R1126 | K1118-D1122 PolarHBondContact O-N 3.47Å; I1119-D1122 PolarHBondContact O-N 3.45Å; D1122-R1126 WeakPolarHBondContact O-CB 3.32Å; D1122-R1126 WeakPolarHBondContact O-CG 3.45Å; D1122-R1126 PolarHBondContact O-N 2.9Å; D1122-R1126 PolarHBondContact O-NE 2.95Å; D1122-R1126 VanDerWaalsContact O-NE 3.1Å |
| 1123 | E | 93.6 | Very high | 92.2 | Very high | 100 Ų | 100 | 104.7 Ų | 104.7 | 47% | 0.467 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.7 | -49.4 | 173.2 | -76 | 176.9 | 170.4 | 0 | 0 | 111.7 | I1119 A1121 Q1125 R1126 M1127 | I1119-E1123 HydrophobicContact CG2-CG 4.49Å; I1119-E1123 WeakPolarHBondContact O-CG 3.46Å; I1119-E1123 PolarHBondContact O-N 3.25Å; A1121-E1123 VanDerWaalsContact C-N 3.32Å; A1121-E1123 PolarHBondContact O-N 3.4Å; E1123-Q1125 VanDerWaalsContact C-N 3.29Å; E1123-Q1125 PolarHBondContact O-N 2.93Å; E1123-R1126 WeakPolarHBondContact O-CB 3.32Å; E1123-R1126 PolarHBondContact O-N 3.28Å; E1123-R1126 VanDerWaalsContact O-N 3.14Å; E1123-M1127 PolarHBondContact O-N 3.47Å |
| 1124 | S | 85.9 | Confident | 92.3 | Very high | 63 Ų | 63 | 105.3 Ų | 105.3 | 44% | 0.441 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.1 | -41.7 | 176.2 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | K1120 A1121 M1127 I1128 | K1120-S1124 WeakPolarHBondContact O-CB 3.49Å; K1120-S1124 PolarHBondContact O-N 3.27Å; K1120-S1124 PolarHBondContact O-OG 2.83Å; A1121-S1124 PolarHBondContact O-N 2.9Å; S1124-M1127 PolarHBondContact O-N 3.32Å; S1124-I1128 VanDerWaalsContact O-CG1 3.32Å; S1124-I1128 WeakPolarHBondContact O-CG1 3.41Å; S1124-I1128 PolarHBondContact O-N 3.03Å |
| 1125 | Q | 89.9 | Confident | 92.3 | Very high | 108 Ų | 108 | 105.7 Ų | 105.7 | 51% | 0.505 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.7 | -31.6 | 177.3 | -167.1 | 169.4 | 7.7 | 0 | 0 | 112.8 | A1121 E1123 K1129 | A1121-Q1125 WeakPolarHBondContact O-CB 3.28Å; A1121-Q1125 PolarHBondContact O-N 2.7Å; E1123-Q1125 VanDerWaalsContact C-N 3.29Å; E1123-Q1125 PolarHBondContact O-N 2.93Å; Q1125-K1129 WeakPolarHBondContact O-CB 3.49Å; Q1125-K1129 VanDerWaalsContact O-CG 3.32Å; Q1125-K1129 WeakPolarHBondContact O-CG 3.48Å; Q1125-K1129 PolarHBondContact O-N 3.4Å |
| 1126 | R | 95.2 | Very high | 92.3 | Very high | 140 Ų | 140 | 107.6 Ų | 107.6 | 53% | 0.528 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.8 | -42.9 | 169.8 | -85 | 175.9 | -84.7 | 127.4 | -7.5 | 111.7 | D1122 E1123 K1129 Q1130 | D1122-R1126 WeakPolarHBondContact O-CB 3.32Å; D1122-R1126 WeakPolarHBondContact O-CG 3.45Å; D1122-R1126 PolarHBondContact O-N 2.9Å; D1122-R1126 PolarHBondContact O-NE 2.95Å; D1122-R1126 VanDerWaalsContact O-NE 3.1Å; E1123-R1126 WeakPolarHBondContact O-CB 3.32Å; E1123-R1126 PolarHBondContact O-N 3.28Å; E1123-R1126 VanDerWaalsContact O-N 3.14Å; R1126-K1129 PolarHBondContact O-N 3.43Å; R1126-Q1130 PolarHBondContact O-N 2.88Å |
| 1127 | M | 93.7 | Very high | 92.2 | Very high | 132 Ų | 132 | 107.4 Ų | 107.4 | 65% | 0.65 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.6 | -42.4 | 176.2 | -176.3 | 159.7 | -87.3 | 0 | 0 | 112.1 | E1123 S1124 K1129 Q1130 L1131 | E1123-M1127 PolarHBondContact O-N 3.47Å; S1124-M1127 PolarHBondContact O-N 3.32Å; M1127-K1129 VanDerWaalsContact C-N 3.32Å; M1127-K1129 PolarHBondContact O-N 3.36Å; M1127-Q1130 WeakPolarHBondContact O-CB 3.42Å; M1127-Q1130 PolarHBondContact O-N 2.76Å; M1127-Q1130 VanDerWaalsContact O-N 3.07Å; M1127-L1131 HydrophobicContact CG-CD1 4.2Å; M1127-L1131 WeakPolarHBondContact O-CG 3.3Å; M1127-L1131 PolarHBondContact O-N 3.31Å |
| 1128 | I | 90.9 | Very high | 92.2 | Very high | 86 Ų | 86 | 105.5 Ų | 105.5 | 44% | 0.441 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.7 | -41.9 | 172.5 | -69.7 | 164.9 | 0 | 0 | 0 | 111.4 | S1124 Q1130 R1132 | S1124-I1128 VanDerWaalsContact O-CG1 3.32Å; S1124-I1128 WeakPolarHBondContact O-CG1 3.41Å; S1124-I1128 PolarHBondContact O-N 3.03Å; I1128-Q1130 VanDerWaalsContact C-N 3.28Å; I1128-Q1130 PolarHBondContact O-N 2.74Å; I1128-R1132 WeakPolarHBondContact O-CG 3.36Å; I1128-R1132 PolarHBondContact O-N 2.98Å |
| 1129 | K | 94.4 | Very high | 92 | Very high | 110 Ų | 110 | 103 Ų | 103 | 48% | 0.478 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64 | -32.7 | 174.9 | -77.2 | 174.2 | 179.4 | 178.1 | 0 | 112.5 | Q1125 R1126 M1127 R1133 | Q1125-K1129 WeakPolarHBondContact O-CB 3.49Å; Q1125-K1129 VanDerWaalsContact O-CG 3.32Å; Q1125-K1129 WeakPolarHBondContact O-CG 3.48Å; Q1125-K1129 PolarHBondContact O-N 3.4Å; R1126-K1129 PolarHBondContact O-N 3.43Å; M1127-K1129 VanDerWaalsContact C-N 3.32Å; M1127-K1129 PolarHBondContact O-N 3.36Å; K1129-R1133 PolarHBondContact O-N 2.88Å; K1129-R1133 PolarHBondContact O-NH1 2.88Å |
| 1130 | Q | 94.3 | Very high | 91.9 | Very high | 87 Ų | 87 | 104.4 Ų | 104.4 | 41% | 0.407 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71.2 | -50.5 | 176.4 | -177 | 58.1 | 19.7 | 0 | 0 | 111.5 | R1126 M1127 I1128 R1132 R1133 E1134 | R1126-Q1130 PolarHBondContact O-N 2.88Å; M1127-Q1130 WeakPolarHBondContact O-CB 3.42Å; M1127-Q1130 PolarHBondContact O-N 2.76Å; M1127-Q1130 VanDerWaalsContact O-N 3.07Å; I1128-Q1130 VanDerWaalsContact C-N 3.28Å; I1128-Q1130 PolarHBondContact O-N 2.74Å; Q1130-R1132 PolarHBondContact O-N 3.45Å; Q1130-R1133 PolarHBondContact O-N 3.49Å; Q1130-E1134 WeakPolarHBondContact CG-OE1 3.14Å; Q1130-E1134 PolarHBondContact NE2-OE1 3.11Å; Q1130-E1134 PolarHBondContact O-N 3.22Å |
| 1131 | L | 92.6 | Very high | 91.9 | Very high | 101 Ų | 101 | 103.9 Ų | 103.9 | 53% | 0.529 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59 | -33 | 177.2 | -68.8 | 170.2 | 0 | 0 | 0 | 112.7 | M1127 E1134 R1135 | M1127-L1131 HydrophobicContact CG-CD1 4.2Å; M1127-L1131 WeakPolarHBondContact O-CG 3.3Å; M1127-L1131 PolarHBondContact O-N 3.31Å; L1131-E1134 PolarHBondContact O-N 3.19Å; L1131-R1135 WeakPolarHBondContact O-CB 3.34Å; L1131-R1135 PolarHBondContact O-N 3.36Å |
| 1132 | R | 92.1 | Very high | 92.1 | Very high | 147 Ų | 147 | 106.3 Ų | 106.3 | 56% | 0.555 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.8 | -44.6 | 172 | -75.6 | -178 | -161.7 | -163.4 | 3.4 | 112.7 | I1128 Q1130 E1134 R1135 E1136 | I1128-R1132 WeakPolarHBondContact O-CG 3.36Å; I1128-R1132 PolarHBondContact O-N 2.98Å; Q1130-R1132 PolarHBondContact O-N 3.45Å; R1132-E1134 VanDerWaalsContact C-N 3.33Å; R1132-E1134 PolarHBondContact O-N 2.92Å; R1132-R1135 PolarHBondContact O-N 2.92Å; R1132-E1136 WeakPolarHBondContact O-CB 3.34Å; R1132-E1136 VanDerWaalsContact O-CG 3.25Å; R1132-E1136 WeakPolarHBondContact O-CG 3.32Å; R1132-E1136 PolarHBondContact O-N 3.41Å |
| 1133 | R | 95.5 | Very high | 92.1 | Very high | 136 Ų | 136 | 108.9 Ų | 108.9 | 51% | 0.513 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.1 | -37.4 | 177.7 | -65.5 | -177.8 | -161.4 | 103.6 | 0 | 112.1 | K1129 Q1130 E1136 H1137 | K1129-R1133 PolarHBondContact O-N 2.88Å; K1129-R1133 PolarHBondContact O-NH1 2.88Å; Q1130-R1133 PolarHBondContact O-N 3.49Å; R1133-E1136 PolarHBondContact O-N 2.85Å; R1133-H1137 WeakPolarHBondContact O-CB 3.39Å; R1133-H1137 PolarHBondContact O-N 2.8Å |
| 1134 | E | 92.9 | Very high | 92.1 | Very high | 87 Ų | 87 | 110.1 Ų | 110.1 | 41% | 0.407 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.1 | -40.6 | 175.2 | -72.4 | 165.3 | -168.3 | 0 | 0 | 110.9 | Q1130 L1131 R1132 H1137 L1138 | Q1130-E1134 WeakPolarHBondContact CG-OE1 3.14Å; Q1130-E1134 PolarHBondContact NE2-OE1 3.11Å; Q1130-E1134 PolarHBondContact O-N 3.22Å; L1131-E1134 PolarHBondContact O-N 3.19Å; R1132-E1134 VanDerWaalsContact C-N 3.33Å; R1132-E1134 PolarHBondContact O-N 2.92Å; E1134-H1137 PolarHBondContact O-N 3.13Å; E1134-L1138 VanDerWaalsContact O-CG 3.31Å; E1134-L1138 WeakPolarHBondContact O-CG 3.25Å; E1134-L1138 PolarHBondContact O-N 3.44Å |
| 1135 | R | 89.5 | Confident | 92.3 | Very high | 133 Ų | 133 | 109.4 Ų | 109.4 | 50% | 0.502 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63 | -48.4 | 171.8 | -164.7 | -156.5 | 71.7 | -164.9 | 0.2 | 112.1 | L1131 R1132 H1137 L1138 E1139 | L1131-R1135 WeakPolarHBondContact O-CB 3.34Å; L1131-R1135 PolarHBondContact O-N 3.36Å; R1132-R1135 PolarHBondContact O-N 2.92Å; R1135-H1137 VanDerWaalsContact C-N 3.27Å; R1135-H1137 PolarHBondContact O-N 3.22Å; R1135-L1138 PolarHBondContact O-N 2.73Å; R1135-E1139 VanDerWaalsContact CD-OE1 3.28Å; R1135-E1139 WeakPolarHBondContact CD-OE1 3.28Å; R1135-E1139 HydrophobicContact CG-CG 4.36Å; R1135-E1139 IonicContact CZ-OE1 2.69Å; R1135-E1139 IonicContact CZ-OE2 3.19Å; R1135-E1139 VanDerWaalsContact NE-CD 3.25Å; R1135-E1139 IonicContact NE-OE1 2.62Å; R1135-E1139 PolarHBondContact NE-OE1 2.63Å; R1135-E1139 IonicContact NE-OE2 3.89Å; R1135-E1139 PolarHBondContact NE-OE2 3.28Å; R1135-E1139 IonicContact NH2-OE1 2.78Å; R1135-E1139 IonicContact NH2-OE2 3.17Å; R1135-E1139 PolarHBondContact NH2-OE2 3.14Å; R1135-E1139 WeakPolarHBondContact O-CB 3.18Å; R1135-E1139 VanDerWaalsContact O-CG 3.27Å; R1135-E1139 WeakPolarHBondContact O-CG 3.26Å; R1135-E1139 PolarHBondContact O-N 3.26Å |
| 1136 | E | 92.3 | Very high | 92.2 | Very high | 103 Ų | 103 | 109.6 Ų | 109.6 | 48% | 0.481 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.6 | -38.1 | 177.1 | -73.1 | 158.4 | -167 | 0 | 0 | 111.7 | R1132 R1133 M1140 | R1132-E1136 WeakPolarHBondContact O-CB 3.34Å; R1132-E1136 VanDerWaalsContact O-CG 3.25Å; R1132-E1136 WeakPolarHBondContact O-CG 3.32Å; R1132-E1136 PolarHBondContact O-N 3.41Å; R1133-E1136 PolarHBondContact O-N 2.85Å; E1136-M1140 PolarHBondContact O-N 3.22Å; E1136-M1140 VanDerWaalsContact O-N 3.14Å |
| 1137 | H | 92.4 | Very high | 92.1 | Very high | 98 Ų | 98 | 108.9 Ų | 108.9 | 45% | 0.454 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.5 | -45.6 | 174.6 | -177.9 | 7.1 | 0 | 0 | 0 | 112.2 | R1133 E1134 R1135 M1140 E1141 | R1133-H1137 WeakPolarHBondContact O-CB 3.39Å; R1133-H1137 PolarHBondContact O-N 2.8Å; E1134-H1137 PolarHBondContact O-N 3.13Å; R1135-H1137 VanDerWaalsContact C-N 3.27Å; R1135-H1137 PolarHBondContact O-N 3.22Å; H1137-M1140 PolarHBondContact O-N 3.38Å; H1137-E1141 IonicContact CE1-OE1 2.74Å; H1137-E1141 PolarHBondContact CE1-OE1 3.28Å; H1137-E1141 PolarHBondContact O-N 3.1Å |
| 1138 | L | 92.3 | Very high | 92 | Very high | 110 Ų | 110 | 106.7 Ų | 106.7 | 58% | 0.576 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68.2 | -35 | 178 | -70.6 | 169.9 | 0 | 0 | 0 | 112.4 | E1134 R1135 M1140 E1141 L1142 | E1134-L1138 VanDerWaalsContact O-CG 3.31Å; E1134-L1138 WeakPolarHBondContact O-CG 3.25Å; E1134-L1138 PolarHBondContact O-N 3.44Å; R1135-L1138 PolarHBondContact O-N 2.73Å; L1138-M1140 VanDerWaalsContact C-N 3.35Å; L1138-E1141 PolarHBondContact O-N 3.42Å; L1138-L1142 WeakPolarHBondContact O-CB 3.14Å; L1138-L1142 PolarHBondContact O-N 3.27Å |
| 1139 | E | 89.7 | Confident | 92 | Very high | 92 Ų | 92 | 110.5 Ų | 110.5 | 43% | 0.43 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 172.6 | -76.7 | 166.7 | 164.6 | 0 | 0 | 110.4 | R1135 L1142 E1143 | R1135-E1139 VanDerWaalsContact CD-OE1 3.28Å; R1135-E1139 WeakPolarHBondContact CD-OE1 3.28Å; R1135-E1139 HydrophobicContact CG-CG 4.36Å; R1135-E1139 IonicContact CZ-OE1 2.69Å; R1135-E1139 IonicContact CZ-OE2 3.19Å; R1135-E1139 VanDerWaalsContact NE-CD 3.25Å; R1135-E1139 IonicContact NE-OE1 2.62Å; R1135-E1139 PolarHBondContact NE-OE1 2.63Å; R1135-E1139 IonicContact NE-OE2 3.89Å; R1135-E1139 PolarHBondContact NE-OE2 3.28Å; R1135-E1139 IonicContact NH2-OE1 2.78Å; R1135-E1139 IonicContact NH2-OE2 3.17Å; R1135-E1139 PolarHBondContact NH2-OE2 3.14Å; R1135-E1139 WeakPolarHBondContact O-CB 3.18Å; R1135-E1139 VanDerWaalsContact O-CG 3.27Å; R1135-E1139 WeakPolarHBondContact O-CG 3.26Å; R1135-E1139 PolarHBondContact O-N 3.26Å; E1139-L1142 PolarHBondContact O-N 3.27Å; E1139-E1143 PolarHBondContact O-N 2.79Å |
| 1140 | M | 93.8 | Very high | 91.8 | Very high | 117 Ų | 117 | 108.8 Ų | 108.8 | 58% | 0.576 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.6 | -37 | 175.5 | -176.7 | -177.7 | 63.2 | 0 | 0 | 113.2 | E1136 H1137 L1138 K1144 | E1136-M1140 PolarHBondContact O-N 3.22Å; E1136-M1140 VanDerWaalsContact O-N 3.14Å; H1137-M1140 PolarHBondContact O-N 3.38Å; L1138-M1140 VanDerWaalsContact C-N 3.35Å; M1140-K1144 WeakPolarHBondContact O-CB 3.44Å; M1140-K1144 PolarHBondContact O-N 2.74Å; M1140-K1144 VanDerWaalsContact O-N 3.08Å |
| 1141 | E | 92.2 | Very high | 91.8 | Very high | 104 Ų | 104 | 107.6 Ų | 107.6 | 49% | 0.486 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.1 | -36.9 | 174.1 | -72.4 | -165.5 | 146.2 | 0 | 0 | 112.2 | H1137 L1138 K1144 A1145 | H1137-E1141 IonicContact CE1-OE1 2.74Å; H1137-E1141 PolarHBondContact CE1-OE1 3.28Å; H1137-E1141 PolarHBondContact O-N 3.1Å; L1138-E1141 PolarHBondContact O-N 3.42Å; E1141-K1144 PolarHBondContact O-N 2.84Å; E1141-A1145 WeakPolarHBondContact O-CB 3.32Å; E1141-A1145 PolarHBondContact O-N 3.4Å |
| 1142 | L | 89.2 | Confident | 91.7 | Very high | 105 Ų | 105 | 109.8 Ų | 109.8 | 55% | 0.55 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.7 | -48.3 | 174.1 | -176.4 | 64.6 | 0 | 0 | 0 | 111.3 | L1138 E1139 K1144 A1145 E1146 | L1138-L1142 WeakPolarHBondContact O-CB 3.14Å; L1138-L1142 PolarHBondContact O-N 3.27Å; E1139-L1142 PolarHBondContact O-N 3.27Å; L1142-K1144 VanDerWaalsContact C-N 3.28Å; L1142-K1144 PolarHBondContact O-N 3.25Å; L1142-A1145 PolarHBondContact O-N 3.29Å; L1142-A1145 VanDerWaalsContact O-N 3.09Å; L1142-E1146 WeakPolarHBondContact O-CG 3.44Å; L1142-E1146 PolarHBondContact O-N 2.89Å |
| 1143 | E | 91.3 | Very high | 91.8 | Very high | 128 Ų | 128 | 106 Ų | 106 | 60% | 0.598 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -58.4 | -40.6 | 177.1 | -175.8 | 175.6 | -153.1 | 0 | 0 | 111.6 | E1139 E1146 M1147 | E1139-E1143 PolarHBondContact O-N 2.79Å; E1143-E1146 PolarHBondContact O-N 2.85Å; E1143-M1147 WeakPolarHBondContact O-CB 3.36Å; E1143-M1147 PolarHBondContact O-N 2.9Å |
| 1144 | K | 93.8 | Very high | 91.5 | Very high | 125 Ų | 125 | 105.2 Ų | 105.2 | 54% | 0.543 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62 | -46.1 | 173 | -177.1 | 176.8 | 178.7 | -76.8 | 0 | 112.1 | M1140 E1141 L1142 E1146 M1147 E1148 | M1140-K1144 WeakPolarHBondContact O-CB 3.44Å; M1140-K1144 PolarHBondContact O-N 2.74Å; M1140-K1144 VanDerWaalsContact O-N 3.08Å; E1141-K1144 PolarHBondContact O-N 2.84Å; L1142-K1144 VanDerWaalsContact C-N 3.28Å; L1142-K1144 PolarHBondContact O-N 3.25Å; K1144-E1146 VanDerWaalsContact C-N 3.33Å; K1144-E1146 PolarHBondContact O-N 3.48Å; K1144-M1147 PolarHBondContact O-N 2.94Å; K1144-E1148 WeakPolarHBondContact CE-OE1 3.42Å; K1144-E1148 IonicContact NZ-OE1 2.74Å; K1144-E1148 PolarHBondContact NZ-OE1 3.01Å; K1144-E1148 WeakPolarHBondContact O-CG 3.47Å; K1144-E1148 PolarHBondContact O-N 3.25Å |
| 1145 | A | 90.6 | Very high | 91.5 | Very high | 49 Ų | 49 | 105.9 Ų | 105.9 | 41% | 0.405 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.7 | -34.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | E1141 L1142 R1149 | E1141-A1145 WeakPolarHBondContact O-CB 3.32Å; E1141-A1145 PolarHBondContact O-N 3.4Å; L1142-A1145 PolarHBondContact O-N 3.29Å; L1142-A1145 VanDerWaalsContact O-N 3.09Å; A1145-R1149 VanDerWaalsContact O-CB 3.24Å; A1145-R1149 WeakPolarHBondContact O-CB 3.47Å; A1145-R1149 PolarHBondContact O-N 2.67Å |
| 1146 | E | 88.6 | Confident | 91.6 | Very high | 111 Ų | 111 | 104.1 Ų | 104.1 | 52% | 0.519 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.5 | -38.1 | 173 | -71.7 | -164.5 | 148.8 | 0 | 0 | 112.3 | L1142 E1143 K1144 R1149 S1150 | L1142-E1146 WeakPolarHBondContact O-CG 3.44Å; L1142-E1146 PolarHBondContact O-N 2.89Å; E1143-E1146 PolarHBondContact O-N 2.85Å; K1144-E1146 VanDerWaalsContact C-N 3.33Å; K1144-E1146 PolarHBondContact O-N 3.48Å; E1146-R1149 PolarHBondContact O-N 3.39Å; E1146-S1150 WeakPolarHBondContact O-CB 3.43Å; E1146-S1150 PolarHBondContact O-N 3.23Å |
| 1147 | M | 92 | Very high | 91.5 | Very high | 126 Ų | 126 | 107 Ų | 107 | 62% | 0.621 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.9 | -44.3 | 174 | -169 | -178.7 | -62.4 | 0 | 0 | 112 | E1143 K1144 S1150 T1151 | E1143-M1147 WeakPolarHBondContact O-CB 3.36Å; E1143-M1147 PolarHBondContact O-N 2.9Å; K1144-M1147 PolarHBondContact O-N 2.94Å; M1147-S1150 WeakPolarHBondContact O-CB 3.08Å; M1147-S1150 PolarHBondContact O-N 2.7Å; M1147-T1151 PolarHBondContact O-N 3.5Å; M1147-T1151 PolarHBondContact O-OG1 3.42Å |
| 1148 | E | 92.3 | Very high | 91.5 | Very high | 86 Ų | 86 | 107 Ų | 107 | 40% | 0.402 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.2 | -47 | 173.6 | -73.1 | 173.7 | -168.9 | 0 | 0 | 110.8 | K1144 S1150 T1151 Y1152 | K1144-E1148 WeakPolarHBondContact CE-OE1 3.42Å; K1144-E1148 IonicContact NZ-OE1 2.74Å; K1144-E1148 PolarHBondContact NZ-OE1 3.01Å; K1144-E1148 WeakPolarHBondContact O-CG 3.47Å; K1144-E1148 PolarHBondContact O-N 3.25Å; E1148-S1150 VanDerWaalsContact C-N 3.34Å; E1148-S1150 PolarHBondContact O-N 3.22Å; E1148-T1151 WeakPolarHBondContact O-CB 3.28Å; E1148-T1151 PolarHBondContact O-N 3.3Å; E1148-Y1152 HydrophobicContact CB-CE2 4.44Å; E1148-Y1152 WeakPolarHBondContact O-CD2 3.48Å; E1148-Y1152 PolarHBondContact O-N 3.41Å |
| 1149 | R | 90.9 | Very high | 91.6 | Very high | 165 Ų | 165 | 106.9 Ų | 106.9 | 62% | 0.623 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.9 | -41.2 | 174.5 | 179.8 | -177.2 | 173.8 | -147.3 | 2.2 | 112.6 | A1145 E1146 T1151 Y1152 V1153 | A1145-R1149 VanDerWaalsContact O-CB 3.24Å; A1145-R1149 WeakPolarHBondContact O-CB 3.47Å; A1145-R1149 PolarHBondContact O-N 2.67Å; E1146-R1149 PolarHBondContact O-N 3.39Å; R1149-T1151 VanDerWaalsContact C-N 3.33Å; R1149-Y1152 PolarHBondContact O-N 3.03Å; R1149-V1153 WeakPolarHBondContact O-CB 3.49Å; R1149-V1153 VanDerWaalsContact O-CG2 3.29Å; R1149-V1153 WeakPolarHBondContact O-CG2 3.26Å; R1149-V1153 PolarHBondContact O-N 2.93Å |
| 1150 | S | 90.2 | Very high | 91.7 | Very high | 75 Ų | 75 | 109 Ų | 109 | 52% | 0.524 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62 | -42.7 | 176.9 | -169.4 | 0 | 0 | 0 | 0 | 111.3 | E1146 M1147 E1148 V1153 M1154 | E1146-S1150 WeakPolarHBondContact O-CB 3.43Å; E1146-S1150 PolarHBondContact O-N 3.23Å; M1147-S1150 WeakPolarHBondContact O-CB 3.08Å; M1147-S1150 PolarHBondContact O-N 2.7Å; E1148-S1150 VanDerWaalsContact C-N 3.34Å; E1148-S1150 PolarHBondContact O-N 3.22Å; S1150-V1153 PolarHBondContact O-N 2.71Å; S1150-M1154 PolarHBondContact O-N 2.82Å |
| 1151 | T | 93.2 | Very high | 91.5 | Very high | 61 Ų | 61 | 106.7 Ų | 106.7 | 37% | 0.374 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.4 | -51 | 174.3 | -52.6 | 0 | 0 | 0 | 0 | 111.3 | M1147 E1148 R1149 V1153 M1154 E1155 | M1147-T1151 PolarHBondContact O-N 3.5Å; M1147-T1151 PolarHBondContact O-OG1 3.42Å; E1148-T1151 WeakPolarHBondContact O-CB 3.28Å; E1148-T1151 PolarHBondContact O-N 3.3Å; R1149-T1151 VanDerWaalsContact C-N 3.33Å; T1151-V1153 VanDerWaalsContact C-N 3.33Å; T1151-V1153 PolarHBondContact O-N 3.22Å; T1151-M1154 WeakPolarHBondContact O-CA 3.29Å; T1151-M1154 WeakPolarHBondContact O-CB 3.35Å; T1151-M1154 PolarHBondContact O-N 2.91Å; T1151-E1155 PolarHBondContact O-N 2.93Å |
| 1152 | Y | 91.3 | Very high | 91.6 | Very high | 147 Ų | 147 | 106.2 Ų | 106.2 | 58% | 0.576 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.7 | -38.5 | 177 | -70 | -55 | 0 | 0 | 0 | 113.2 | E1148 R1149 M1154 E1155 V1156 | E1148-Y1152 HydrophobicContact CB-CE2 4.44Å; E1148-Y1152 WeakPolarHBondContact O-CD2 3.48Å; E1148-Y1152 PolarHBondContact O-N 3.41Å; R1149-Y1152 PolarHBondContact O-N 3.03Å; Y1152-M1154 VanDerWaalsContact C-N 3.28Å; Y1152-M1154 PolarHBondContact O-N 3.19Å; Y1152-E1155 PolarHBondContact O-N 2.93Å; Y1152-V1156 WeakPolarHBondContact O-CB 3.48Å; Y1152-V1156 VanDerWaalsContact O-CG2 3.29Å; Y1152-V1156 WeakPolarHBondContact O-CG2 3.47Å; Y1152-V1156 PolarHBondContact O-N 3.47Å |
| 1153 | V | 93.1 | Very high | 91.7 | Very high | 67 Ų | 67 | 106.6 Ų | 106.6 | 41% | 0.406 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.2 | -29.6 | 176 | 170.1 | 0 | 0 | 0 | 0 | 111.9 | R1149 S1150 T1151 R1157 | R1149-V1153 WeakPolarHBondContact O-CB 3.49Å; R1149-V1153 VanDerWaalsContact O-CG2 3.29Å; R1149-V1153 WeakPolarHBondContact O-CG2 3.26Å; R1149-V1153 PolarHBondContact O-N 2.93Å; S1150-V1153 PolarHBondContact O-N 2.71Å; T1151-V1153 VanDerWaalsContact C-N 3.33Å; T1151-V1153 PolarHBondContact O-N 3.22Å; V1153-R1157 WeakPolarHBondContact O-CB 3.45Å; V1153-R1157 PolarHBondContact O-N 3.36Å; V1153-R1157 VanDerWaalsContact O-N 3.17Å |
| 1154 | M | 90.7 | Very high | 91.6 | Very high | 120 Ų | 120 | 105.1 Ų | 105.1 | 59% | 0.591 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -72.4 | -46.2 | 173.4 | -173.9 | 173.3 | 64.1 | 0 | 0 | 111.4 | S1150 T1151 Y1152 V1156 R1157 E1158 | S1150-M1154 PolarHBondContact O-N 2.82Å; T1151-M1154 WeakPolarHBondContact O-CA 3.29Å; T1151-M1154 WeakPolarHBondContact O-CB 3.35Å; T1151-M1154 PolarHBondContact O-N 2.91Å; Y1152-M1154 VanDerWaalsContact C-N 3.28Å; Y1152-M1154 PolarHBondContact O-N 3.19Å; M1154-V1156 PolarHBondContact O-N 3.35Å; M1154-R1157 WeakPolarHBondContact O-CB 3.4Å; M1154-R1157 PolarHBondContact O-N 3.28Å; M1154-R1157 VanDerWaalsContact O-N 3.15Å; M1154-E1158 PolarHBondContact O-N 3.37Å |
| 1155 | E | 93.2 | Very high | 91.6 | Very high | 102 Ų | 102 | 104 Ų | 104 | 48% | 0.477 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.3 | -44.9 | 174.9 | -70.1 | 178.4 | 176.2 | 0 | 0 | 112.2 | T1151 Y1152 R1157 E1158 L1159 | T1151-E1155 PolarHBondContact O-N 2.93Å; Y1152-E1155 PolarHBondContact O-N 2.93Å; E1155-R1157 VanDerWaalsContact C-N 3.29Å; E1155-R1157 PolarHBondContact O-N 3.27Å; E1155-E1158 PolarHBondContact O-N 3.4Å; E1155-L1159 WeakPolarHBondContact O-CG 3.48Å; E1155-L1159 PolarHBondContact O-N 2.86Å |
| 1156 | V | 91.1 | Very high | 91.6 | Very high | 96 Ų | 96 | 105.4 Ų | 105.4 | 58% | 0.582 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.6 | -34.5 | 175.9 | 169.6 | 0 | 0 | 0 | 0 | 111.8 | Y1152 M1154 K1160 | Y1152-V1156 WeakPolarHBondContact O-CB 3.48Å; Y1152-V1156 VanDerWaalsContact O-CG2 3.29Å; Y1152-V1156 WeakPolarHBondContact O-CG2 3.47Å; Y1152-V1156 PolarHBondContact O-N 3.47Å; M1154-V1156 PolarHBondContact O-N 3.35Å; V1156-K1160 WeakPolarHBondContact O-CB 3.37Å; V1156-K1160 PolarHBondContact O-N 2.92Å |
| 1157 | R | 90.4 | Very high | 91.6 | Very high | 162 Ų | 162 | 105.9 Ų | 105.9 | 61% | 0.611 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.7 | -45.4 | 173.3 | -105.2 | -177.3 | -80 | 172.3 | -8.9 | 111.6 | V1153 M1154 E1155 K1160 T1161 | V1153-R1157 WeakPolarHBondContact O-CB 3.45Å; V1153-R1157 PolarHBondContact O-N 3.36Å; V1153-R1157 VanDerWaalsContact O-N 3.17Å; M1154-R1157 WeakPolarHBondContact O-CB 3.4Å; M1154-R1157 PolarHBondContact O-N 3.28Å; M1154-R1157 VanDerWaalsContact O-N 3.15Å; E1155-R1157 VanDerWaalsContact C-N 3.29Å; E1155-R1157 PolarHBondContact O-N 3.27Å; R1157-K1160 PolarHBondContact O-N 3.37Å; R1157-T1161 PolarHBondContact O-N 3.16Å; R1157-T1161 PolarHBondContact O-OG1 2.92Å; R1157-T1161 VanDerWaalsContact O-OG1 3.12Å |
| 1158 | E | 92.6 | Very high | 91.6 | Very high | 99 Ų | 99 | 102.7 Ų | 102.7 | 46% | 0.463 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.3 | -48.6 | 178.6 | -179.5 | 52.5 | -146.8 | 0 | 0 | 111.6 | M1154 E1155 K1160 T1161 Q1162 | M1154-E1158 PolarHBondContact O-N 3.37Å; E1155-E1158 PolarHBondContact O-N 3.4Å; E1158-K1160 VanDerWaalsContact C-N 3.25Å; E1158-K1160 PolarHBondContact O-N 3.14Å; E1158-T1161 WeakPolarHBondContact O-CB 3.4Å; E1158-T1161 PolarHBondContact O-N 2.94Å; E1158-Q1162 WeakPolarHBondContact O-CG 3.32Å; E1158-Q1162 PolarHBondContact O-N 3.39Å; E1158-Q1162 PolarHBondContact OE1-NE2 3.32Å |
| 1159 | L | 93.3 | Very high | 91.6 | Very high | 108 Ų | 108 | 104.2 Ų | 104.2 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -58.7 | -36.2 | 174.6 | -70.2 | 172.7 | 0 | 0 | 0 | 112.5 | E1155 Q1162 L1163 | E1155-L1159 WeakPolarHBondContact O-CG 3.48Å; E1155-L1159 PolarHBondContact O-N 2.86Å; L1159-Q1162 PolarHBondContact O-N 2.75Å; L1159-L1163 WeakPolarHBondContact O-CB 3.5Å; L1159-L1163 PolarHBondContact O-N 3.37Å |
| 1160 | K | 91.3 | Very high | 91.6 | Very high | 136 Ų | 136 | 101.3 Ų | 101.3 | 59% | 0.591 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.8 | -36.9 | 175.4 | -173.6 | 170.2 | -177.2 | 173.4 | 0 | 112.4 | V1156 R1157 E1158 N1164 | V1156-K1160 WeakPolarHBondContact O-CB 3.37Å; V1156-K1160 PolarHBondContact O-N 2.92Å; R1157-K1160 PolarHBondContact O-N 3.37Å; E1158-K1160 VanDerWaalsContact C-N 3.25Å; E1158-K1160 PolarHBondContact O-N 3.14Å; K1160-N1164 VanDerWaalsContact O-CG 3.28Å; K1160-N1164 PolarHBondContact O-N 2.91Å; K1160-N1164 PolarHBondContact O-ND2 3.07Å |
| 1161 | T | 91.4 | Very high | 91.6 | Very high | 69 Ų | 69 | 103.1 Ų | 103.1 | 42% | 0.423 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.6 | -48.9 | 172.6 | -55.6 | 0 | 0 | 0 | 0 | 110.7 | R1157 E1158 L1163 N1164 E1165 | R1157-T1161 PolarHBondContact O-N 3.16Å; R1157-T1161 PolarHBondContact O-OG1 2.92Å; R1157-T1161 VanDerWaalsContact O-OG1 3.12Å; E1158-T1161 WeakPolarHBondContact O-CB 3.4Å; E1158-T1161 PolarHBondContact O-N 2.94Å; T1161-L1163 VanDerWaalsContact C-N 3.34Å; T1161-L1163 PolarHBondContact O-N 3.39Å; T1161-N1164 PolarHBondContact O-N 3.29Å; T1161-E1165 PolarHBondContact O-N 3.16Å |
| 1162 | Q | 92.8 | Very high | 91.4 | Very high | 93 Ų | 93 | 104.6 Ų | 104.6 | 44% | 0.435 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.7 | -41.2 | 177.7 | -65.9 | 177.1 | 16.8 | 0 | 0 | 112.1 | E1158 L1159 E1165 T1166 | E1158-Q1162 WeakPolarHBondContact O-CG 3.32Å; E1158-Q1162 PolarHBondContact O-N 3.39Å; E1158-Q1162 PolarHBondContact OE1-NE2 3.32Å; L1159-Q1162 PolarHBondContact O-N 2.75Å; Q1162-E1165 PolarHBondContact O-N 3.2Å; Q1162-T1166 WeakPolarHBondContact O-CG2 3.47Å; Q1162-T1166 PolarHBondContact O-N 2.76Å; Q1162-T1166 PolarHBondContact O-OG1 3.44Å |
| 1163 | L | 92.3 | Very high | 91.3 | Very high | 113 Ų | 113 | 102.5 Ų | 102.5 | 59% | 0.592 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.6 | -45.9 | 174.5 | -175.7 | 63.5 | 0 | 0 | 0 | 111.9 | L1159 T1161 E1165 T1166 H1167 | L1159-L1163 WeakPolarHBondContact O-CB 3.5Å; L1159-L1163 PolarHBondContact O-N 3.37Å; T1161-L1163 VanDerWaalsContact C-N 3.34Å; T1161-L1163 PolarHBondContact O-N 3.39Å; L1163-E1165 VanDerWaalsContact C-N 3.34Å; L1163-E1165 PolarHBondContact O-N 2.8Å; L1163-T1166 PolarHBondContact O-N 3.39Å; L1163-T1166 PolarHBondContact O-OG1 3.13Å; L1163-H1167 WeakPolarHBondContact O-CB 3.48Å; L1163-H1167 PolarHBondContact O-N 3.31Å |
| 1164 | N | 88.4 | Confident | 90.8 | Very high | 98 Ų | 98 | 105.3 Ų | 105.3 | 52% | 0.524 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.5 | -39.4 | 176.8 | -73.3 | -15.2 | 0 | 0 | 0 | 112.2 | K1160 T1161 H1167 S1168 | K1160-N1164 VanDerWaalsContact O-CG 3.28Å; K1160-N1164 PolarHBondContact O-N 2.91Å; K1160-N1164 PolarHBondContact O-ND2 3.07Å; T1161-N1164 PolarHBondContact O-N 3.29Å; N1164-H1167 PolarHBondContact O-N 3.48Å; N1164-S1168 WeakPolarHBondContact O-CB 3.46Å; N1164-S1168 PolarHBondContact O-N 2.78Å |
| 1165 | E | 93.1 | Very high | 90.7 | Very high | 100 Ų | 100 | 103.1 Ų | 103.1 | 47% | 0.467 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 174.5 | -79 | -164.7 | -162.9 | 0 | 0 | 112.7 | T1161 Q1162 L1163 H1167 S1168 K1169 | T1161-E1165 PolarHBondContact O-N 3.16Å; Q1162-E1165 PolarHBondContact O-N 3.2Å; L1163-E1165 VanDerWaalsContact C-N 3.34Å; L1163-E1165 PolarHBondContact O-N 2.8Å; E1165-H1167 VanDerWaalsContact C-N 3.34Å; E1165-S1168 PolarHBondContact O-N 3.4Å; E1165-K1169 WeakPolarHBondContact O-CB 3.43Å; E1165-K1169 WeakPolarHBondContact O-CG 3.48Å; E1165-K1169 PolarHBondContact O-N 2.95Å; E1165-K1169 IonicContact OE2-NZ 3.72Å; E1165-K1169 PolarHBondContact OE2-NZ 3.22Å |
| 1166 | T | 92.2 | Very high | 90.5 | Very high | 79 Ų | 79 | 102.9 Ų | 102.9 | 49% | 0.485 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 178 | 56.2 | 0 | 0 | 0 | 0 | 111.6 | Q1162 L1163 K1169 L1170 | Q1162-T1166 WeakPolarHBondContact O-CG2 3.47Å; Q1162-T1166 PolarHBondContact O-N 2.76Å; Q1162-T1166 PolarHBondContact O-OG1 3.44Å; L1163-T1166 PolarHBondContact O-N 3.39Å; L1163-T1166 PolarHBondContact O-OG1 3.13Å; T1166-K1169 PolarHBondContact O-N 2.99Å; T1166-L1170 WeakPolarHBondContact O-CB 3.39Å; T1166-L1170 PolarHBondContact O-N 3.48Å |
| 1167 | H | 88.5 | Confident | 90.1 | Very high | 121 Ų | 121 | 104.8 Ų | 104.8 | 56% | 0.56 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.1 | -41.2 | 173.7 | -169.2 | -42.9 | 0 | 0 | 0 | 112 | L1163 N1164 E1165 L1170 Q1171 | L1163-H1167 WeakPolarHBondContact O-CB 3.48Å; L1163-H1167 PolarHBondContact O-N 3.31Å; N1164-H1167 PolarHBondContact O-N 3.48Å; E1165-H1167 VanDerWaalsContact C-N 3.34Å; H1167-L1170 PolarHBondContact O-N 3.02Å; H1167-Q1171 WeakPolarHBondContact O-CB 3.38Å; H1167-Q1171 PolarHBondContact O-N 2.88Å |
| 1168 | S | 90.8 | Very high | 89.7 | Confident | 60 Ų | 60 | 103.9 Ų | 103.9 | 42% | 0.42 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.3 | -43.6 | 176.8 | -175.8 | 0 | 0 | 0 | 0 | 111.9 | N1164 E1165 Q1171 N1172 | N1164-S1168 WeakPolarHBondContact O-CB 3.46Å; N1164-S1168 PolarHBondContact O-N 2.78Å; E1165-S1168 PolarHBondContact O-N 3.4Å; S1168-Q1171 PolarHBondContact O-N 3.31Å; S1168-N1172 VanDerWaalsContact O-CG 3.23Å; S1168-N1172 PolarHBondContact O-N 2.86Å; S1168-N1172 PolarHBondContact O-ND2 3.27Å |
| 1169 | K | 92.4 | Very high | 89.5 | Confident | 117 Ų | 117 | 104 Ų | 104 | 51% | 0.509 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.4 | -47.9 | 174 | -72.6 | 161.8 | -177.8 | 155.7 | 0 | 111.5 | E1165 T1166 Q1171 N1172 E1173 | E1165-K1169 WeakPolarHBondContact O-CB 3.43Å; E1165-K1169 WeakPolarHBondContact O-CG 3.48Å; E1165-K1169 PolarHBondContact O-N 2.95Å; E1165-K1169 IonicContact OE2-NZ 3.72Å; E1165-K1169 PolarHBondContact OE2-NZ 3.22Å; T1166-K1169 PolarHBondContact O-N 2.99Å; K1169-Q1171 PolarHBondContact O-N 3.11Å; K1169-N1172 PolarHBondContact O-N 2.91Å; K1169-E1173 PolarHBondContact O-N 3.19Å |
| 1170 | L | 90.4 | Very high | 89.2 | Confident | 104 Ų | 104 | 102.5 Ų | 102.5 | 55% | 0.545 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.5 | -41 | 177.7 | -174.6 | 66.3 | 0 | 0 | 0 | 112.2 | T1166 H1167 E1173 Q1174 | T1166-L1170 WeakPolarHBondContact O-CB 3.39Å; T1166-L1170 PolarHBondContact O-N 3.48Å; H1167-L1170 PolarHBondContact O-N 3.02Å; L1170-E1173 PolarHBondContact O-N 3.11Å; L1170-Q1174 WeakPolarHBondContact O-CB 3.41Å; L1170-Q1174 PolarHBondContact O-N 3.48Å |
| 1171 | Q | 91.1 | Very high | 88.8 | Confident | 113 Ų | 113 | 98.1 Ų | 98.1 | 53% | 0.528 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 176.1 | -178.4 | 174.9 | -15.6 | 0 | 0 | 111.9 | H1167 S1168 K1169 Q1174 T1175 | H1167-Q1171 WeakPolarHBondContact O-CB 3.38Å; H1167-Q1171 PolarHBondContact O-N 2.88Å; S1168-Q1171 PolarHBondContact O-N 3.31Å; K1169-Q1171 PolarHBondContact O-N 3.11Å; Q1171-Q1174 WeakPolarHBondContact O-CB 3.39Å; Q1171-Q1174 PolarHBondContact O-N 3.41Å; Q1171-T1175 WeakPolarHBondContact O-CG2 3.31Å; Q1171-T1175 PolarHBondContact O-N 3.02Å; Q1171-T1175 PolarHBondContact O-OG1 2.99Å |
| 1172 | N | 88.4 | Confident | 88.3 | Confident | 93 Ų | 93 | 98.8 Ų | 98.8 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 175.8 | -68.3 | -22.8 | 0 | 0 | 0 | 111.3 | S1168 K1169 Q1174 T1175 E1176 | S1168-N1172 VanDerWaalsContact O-CG 3.23Å; S1168-N1172 PolarHBondContact O-N 2.86Å; S1168-N1172 PolarHBondContact O-ND2 3.27Å; K1169-N1172 PolarHBondContact O-N 2.91Å; N1172-Q1174 VanDerWaalsContact C-N 3.34Å; N1172-Q1174 PolarHBondContact O-N 3.28Å; N1172-T1175 WeakPolarHBondContact CA-OG1 3.36Å; N1172-T1175 PolarHBondContact O-N 2.73Å; N1172-T1175 PolarHBondContact O-OG1 3.31Å; N1172-E1176 PolarHBondContact O-N 3.1Å |
| 1173 | E | 88.8 | Confident | 87.9 | Confident | 102 Ų | 102 | 98 Ų | 98 | 48% | 0.477 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.5 | -43.7 | 172 | -77.7 | -170.2 | -156.6 | 0 | 0 | 112.2 | K1169 L1170 T1175 E1176 R1177 | K1169-E1173 PolarHBondContact O-N 3.19Å; L1170-E1173 PolarHBondContact O-N 3.11Å; E1173-T1175 VanDerWaalsContact C-N 3.29Å; E1173-T1175 PolarHBondContact O-N 2.74Å; E1173-E1176 PolarHBondContact O-N 3.08Å; E1173-R1177 WeakPolarHBondContact O-CB 3.25Å; E1173-R1177 VanDerWaalsContact O-CG 3.27Å; E1173-R1177 WeakPolarHBondContact O-CG 3.34Å; E1173-R1177 PolarHBondContact O-N 2.92Å; E1173-R1177 IonicContact OE2-NH2 2.6Å; E1173-R1177 PolarHBondContact OE2-NH2 3.32Å |
| 1174 | Q | 83.9 | Confident | 87.6 | Confident | 126 Ų | 126 | 94.1 Ų | 94.1 | 59% | 0.589 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -58.1 | -41.5 | 176.4 | -164.1 | 80.2 | 9.1 | 0 | 0 | 111.4 | L1170 Q1171 N1172 K1178 | L1170-Q1174 WeakPolarHBondContact O-CB 3.41Å; L1170-Q1174 PolarHBondContact O-N 3.48Å; Q1171-Q1174 WeakPolarHBondContact O-CB 3.39Å; Q1171-Q1174 PolarHBondContact O-N 3.41Å; N1172-Q1174 VanDerWaalsContact C-N 3.34Å; N1172-Q1174 PolarHBondContact O-N 3.28Å; Q1174-K1178 PolarHBondContact O-N 3.1Å; Q1174-K1178 VanDerWaalsContact O-N 3.08Å |
| 1175 | T | 87.4 | Confident | 87.2 | Confident | 75 Ų | 75 | 94.8 Ų | 94.8 | 46% | 0.46 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -70.1 | -39.9 | 178 | 54.1 | 0 | 0 | 0 | 0 | 113.3 | Q1171 N1172 E1173 K1178 K1179 | Q1171-T1175 WeakPolarHBondContact O-CG2 3.31Å; Q1171-T1175 PolarHBondContact O-N 3.02Å; Q1171-T1175 PolarHBondContact O-OG1 2.99Å; N1172-T1175 WeakPolarHBondContact CA-OG1 3.36Å; N1172-T1175 PolarHBondContact O-N 2.73Å; N1172-T1175 PolarHBondContact O-OG1 3.31Å; E1173-T1175 VanDerWaalsContact C-N 3.29Å; E1173-T1175 PolarHBondContact O-N 2.74Å; T1175-K1178 PolarHBondContact O-N 3Å; T1175-K1179 WeakPolarHBondContact O-CB 3.49Å; T1175-K1179 PolarHBondContact O-N 3.49Å |
| 1176 | E | 88.8 | Confident | 86.9 | Confident | 96 Ų | 96 | 95.3 Ų | 95.3 | 45% | 0.449 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -70.2 | -39.2 | 175.8 | -75.1 | -63.9 | 143.3 | 0 | 0 | 111.6 | N1172 E1173 K1178 K1179 V1180 | N1172-E1176 PolarHBondContact O-N 3.1Å; E1173-E1176 PolarHBondContact O-N 3.08Å; E1176-K1178 VanDerWaalsContact C-N 3.31Å; E1176-K1178 PolarHBondContact O-N 3.49Å; E1176-K1179 PolarHBondContact O-N 3.37Å; E1176-K1179 IonicContact OE1-NZ 3.26Å; E1176-K1179 PolarHBondContact OE1-NZ 3.42Å; E1176-K1179 IonicContact OE2-NZ 3.07Å; E1176-K1179 PolarHBondContact OE2-NZ 3.07Å; E1176-V1180 WeakPolarHBondContact O-CG2 3.49Å; E1176-V1180 PolarHBondContact O-N 2.96Å |
| 1177 | R | 82.8 | Confident | 86.3 | Confident | 137 Ų | 137 | 93.8 Ų | 93.8 | 52% | 0.517 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -56.4 | -44.3 | 171 | -73 | 178.1 | -163.6 | -145.2 | 7.1 | 111.5 | E1173 V1180 A1181 | E1173-R1177 WeakPolarHBondContact O-CB 3.25Å; E1173-R1177 VanDerWaalsContact O-CG 3.27Å; E1173-R1177 WeakPolarHBondContact O-CG 3.34Å; E1173-R1177 PolarHBondContact O-N 2.92Å; E1173-R1177 IonicContact OE2-NH2 2.6Å; E1173-R1177 PolarHBondContact OE2-NH2 3.32Å; R1177-V1180 PolarHBondContact O-N 3.3Å; R1177-A1181 PolarHBondContact O-N 3.39Å |
| 1178 | K | 82.1 | Confident | 85.7 | Confident | 142 Ų | 142 | 90.6 Ų | 90.6 | 62% | 0.617 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62.9 | -44.8 | 176.6 | -174.3 | 173.8 | -179.1 | 176.4 | 0 | 112 | Q1174 T1175 E1176 A1181 D1182 | Q1174-K1178 PolarHBondContact O-N 3.1Å; Q1174-K1178 VanDerWaalsContact O-N 3.08Å; T1175-K1178 PolarHBondContact O-N 3Å; E1176-K1178 VanDerWaalsContact C-N 3.31Å; E1176-K1178 PolarHBondContact O-N 3.49Å; K1178-A1181 WeakPolarHBondContact O-CB 3.5Å; K1178-A1181 PolarHBondContact O-N 3.36Å; K1178-D1182 PolarHBondContact O-N 2.84Å |
| 1179 | K | 88.9 | Confident | 85.3 | Confident | 101 Ų | 101 | 93.1 Ų | 93.1 | 44% | 0.439 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 177.4 | 175.6 | 173.3 | 151.7 | -130.4 | 0 | 112.6 | T1175 E1176 A1181 D1182 D1183 | T1175-K1179 WeakPolarHBondContact O-CB 3.49Å; T1175-K1179 PolarHBondContact O-N 3.49Å; E1176-K1179 PolarHBondContact O-N 3.37Å; E1176-K1179 IonicContact OE1-NZ 3.26Å; E1176-K1179 PolarHBondContact OE1-NZ 3.42Å; E1176-K1179 IonicContact OE2-NZ 3.07Å; E1176-K1179 PolarHBondContact OE2-NZ 3.07Å; K1179-A1181 VanDerWaalsContact C-N 3.34Å; K1179-A1181 PolarHBondContact O-N 3.43Å; K1179-D1182 PolarHBondContact O-N 3.43Å; K1179-D1183 WeakPolarHBondContact O-CB 3.4Å; K1179-D1183 PolarHBondContact O-N 3.39Å |
| 1180 | V | 87.2 | Confident | 84.8 | Confident | 78 Ų | 78 | 90.8 Ų | 90.8 | 47% | 0.473 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 173.4 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | E1176 R1177 D1183 L1184 | E1176-V1180 WeakPolarHBondContact O-CG2 3.49Å; E1176-V1180 PolarHBondContact O-N 2.96Å; R1177-V1180 PolarHBondContact O-N 3.3Å; V1180-D1183 PolarHBondContact O-N 3.11Å; V1180-L1184 VanDerWaalsContact O-CB 3.25Å; V1180-L1184 WeakPolarHBondContact O-CB 3.42Å; V1180-L1184 PolarHBondContact O-N 3.21Å |
| 1181 | A | 82.1 | Confident | 84.3 | Confident | 44 Ų | 44 | 87 Ų | 87 | 36% | 0.364 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R1177 K1178 K1179 L1184 H1185 | R1177-A1181 PolarHBondContact O-N 3.39Å; K1178-A1181 WeakPolarHBondContact O-CB 3.5Å; K1178-A1181 PolarHBondContact O-N 3.36Å; K1179-A1181 VanDerWaalsContact C-N 3.34Å; K1179-A1181 PolarHBondContact O-N 3.43Å; A1181-L1184 PolarHBondContact O-N 2.96Å; A1181-H1185 PolarHBondContact O-N 2.96Å |
| 1182 | D | 81.4 | Confident | 83.6 | Confident | 82 Ų | 82 | 85.4 Ų | 85.4 | 44% | 0.439 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 176.2 | -71.9 | -24 | 0 | 0 | 0 | 111.9 | K1178 K1179 H1185 K1186 | K1178-D1182 PolarHBondContact O-N 2.84Å; K1179-D1182 PolarHBondContact O-N 3.43Å; D1182-H1185 PolarHBondContact O-N 3.45Å; D1182-K1186 WeakPolarHBondContact O-CG 3.4Å; D1182-K1186 PolarHBondContact O-N 3.16Å; D1182-K1186 VanDerWaalsContact O-N 3.1Å |
| 1183 | D | 85.8 | Confident | 83.2 | Confident | 78 Ų | 78 | 83.8 Ų | 83.8 | 42% | 0.417 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -71.8 | -36.1 | 178 | -73.2 | -22.2 | 0 | 0 | 0 | 112.4 | K1179 V1180 H1185 K1186 A1187 | K1179-D1183 WeakPolarHBondContact O-CB 3.4Å; K1179-D1183 PolarHBondContact O-N 3.39Å; V1180-D1183 PolarHBondContact O-N 3.11Å; D1183-H1185 VanDerWaalsContact C-N 3.31Å; D1183-H1185 PolarHBondContact O-N 3.16Å; D1183-K1186 PolarHBondContact O-N 3.04Å; D1183-K1186 IonicContact OD1-NZ 2.86Å; D1183-K1186 PolarHBondContact OD1-NZ 2.91Å; D1183-A1187 PolarHBondContact O-N 3.21Å |
| 1184 | L | 84.9 | Confident | 82.7 | Confident | 30 Ų | 30 | 83 Ų | 83 | 16% | 0.157 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 170.5 | -175 | 65.1 | 0 | 0 | 0 | 111.3 | V1180 A1181 A1187 Q1188 L1241 N1245 L1248 | V1180-L1184 VanDerWaalsContact O-CB 3.25Å; V1180-L1184 WeakPolarHBondContact O-CB 3.42Å; V1180-L1184 PolarHBondContact O-N 3.21Å; A1181-L1184 PolarHBondContact O-N 2.96Å; L1184-A1187 PolarHBondContact O-N 3.37Å; L1184-Q1188 PolarHBondContact O-N 2.67Å; L1184-L1241 HydrophobicContact CD1-CD1 3.53Å; L1184-N1245 WeakPolarHBondContact CD2-OD1 3.42Å; L1184-L1248 HydrophobicContact CD2-CD2 4.3Å |
| 1185 | H | 80.8 | Confident | 82 | Confident | 112 Ų | 112 | 80.4 Ų | 80.4 | 52% | 0.519 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.2 | -41 | 176.1 | -166.7 | 77.5 | 0 | 0 | 0 | 112.2 | A1181 D1182 D1183 A1187 Q1188 Q1189 | A1181-H1185 PolarHBondContact O-N 2.96Å; D1182-H1185 PolarHBondContact O-N 3.45Å; D1183-H1185 VanDerWaalsContact C-N 3.31Å; D1183-H1185 PolarHBondContact O-N 3.16Å; H1185-A1187 VanDerWaalsContact C-N 3.35Å; H1185-A1187 PolarHBondContact O-N 3.35Å; H1185-Q1188 WeakPolarHBondContact O-CB 3.48Å; H1185-Q1188 PolarHBondContact O-N 3.33Å; H1185-Q1189 PolarHBondContact CD2-NE2 3.06Å; H1185-Q1189 PolarHBondContact NE2-NE2 2.98Å; H1185-Q1189 WeakPolarHBondContact O-CG 3.48Å; H1185-Q1189 PolarHBondContact O-N 3.49Å |
| 1186 | K | 86.4 | Confident | 81.3 | Confident | 111 Ų | 111 | 80 Ų | 80 | 48% | 0.483 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.1 | -39 | 173.3 | -65.6 | 164.9 | -153.1 | 158.9 | 0 | 112.2 | D1182 D1183 Q1189 S1190 | D1182-K1186 WeakPolarHBondContact O-CG 3.4Å; D1182-K1186 PolarHBondContact O-N 3.16Å; D1182-K1186 VanDerWaalsContact O-N 3.1Å; D1183-K1186 PolarHBondContact O-N 3.04Å; D1183-K1186 IonicContact OD1-NZ 2.86Å; D1183-K1186 PolarHBondContact OD1-NZ 2.91Å; K1186-Q1189 PolarHBondContact O-N 3.31Å; K1186-S1190 WeakPolarHBondContact O-CB 3.35Å; K1186-S1190 PolarHBondContact O-N 2.94Å; K1186-S1190 PolarHBondContact O-OG 3.09Å |
| 1187 | A | 80.1 | Confident | 80.6 | Confident | 47 Ų | 47 | 82.1 Ų | 82.1 | 39% | 0.388 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | D1183 L1184 H1185 Q1189 S1190 L1191 | D1183-A1187 PolarHBondContact O-N 3.21Å; L1184-A1187 PolarHBondContact O-N 3.37Å; H1185-A1187 VanDerWaalsContact C-N 3.35Å; H1185-A1187 PolarHBondContact O-N 3.35Å; A1187-Q1189 PolarHBondContact O-N 2.9Å; A1187-S1190 PolarHBondContact O-N 2.76Å; A1187-L1191 WeakPolarHBondContact O-CB 3.36Å; A1187-L1191 PolarHBondContact O-N 3.08Å |
| 1188 | Q | 75.4 | Confident | 79.8 | Confident | 55 Ų | 55 | 77.5 Ų | 77.5 | 26% | 0.257 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.2 | -46.2 | 174.6 | -170.9 | 76.2 | 61 | 0 | 0 | 112.1 | L1184 H1185 S1190 L1191 N1192 L1241 | L1184-Q1188 PolarHBondContact O-N 2.67Å; H1185-Q1188 WeakPolarHBondContact O-CB 3.48Å; H1185-Q1188 PolarHBondContact O-N 3.33Å; Q1188-S1190 VanDerWaalsContact C-N 3.33Å; Q1188-S1190 PolarHBondContact O-N 3.44Å; Q1188-L1191 PolarHBondContact O-N 3.33Å; Q1188-N1192 PolarHBondContact O-N 2.83Å; Q1188-N1192 PolarHBondContact O-ND2 3.33Å; Q1188-N1192 PolarHBondContact O-OD1 3.35Å; Q1188-L1241 HydrophobicContact CB-CD2 4.44Å |
| 1189 | Q | 82.8 | Confident | 78.8 | Confident | 112 Ų | 112 | 73.8 Ų | 73.8 | 52% | 0.523 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 175.9 | -70.9 | -178.8 | 6.3 | 0 | 0 | 112.1 | H1185 K1186 A1187 N1192 S1193 | H1185-Q1189 PolarHBondContact CD2-NE2 3.06Å; H1185-Q1189 PolarHBondContact NE2-NE2 2.98Å; H1185-Q1189 WeakPolarHBondContact O-CG 3.48Å; H1185-Q1189 PolarHBondContact O-N 3.49Å; K1186-Q1189 PolarHBondContact O-N 3.31Å; A1187-Q1189 PolarHBondContact O-N 2.9Å; Q1189-N1192 PolarHBondContact O-N 3.31Å; Q1189-S1193 PolarHBondContact O-N 3.45Å |
| 1190 | S | 81.8 | Confident | 77.3 | Confident | 69 Ų | 69 | 75 Ų | 75 | 48% | 0.483 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 178.4 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | K1186 A1187 Q1188 S1193 I1194 | K1186-S1190 WeakPolarHBondContact O-CB 3.35Å; K1186-S1190 PolarHBondContact O-N 2.94Å; K1186-S1190 PolarHBondContact O-OG 3.09Å; A1187-S1190 PolarHBondContact O-N 2.76Å; Q1188-S1190 VanDerWaalsContact C-N 3.33Å; Q1188-S1190 PolarHBondContact O-N 3.44Å; S1190-S1193 WeakPolarHBondContact O-CB 3.42Å; S1190-S1193 PolarHBondContact O-N 2.62Å; S1190-I1194 WeakPolarHBondContact O-CG1 3.44Å; S1190-I1194 PolarHBondContact O-N 3.35Å |
| 1191 | L | 78.6 | Confident | 75.9 | Confident | 23 Ų | 23 | 78.6 Ų | 78.6 | 12% | 0.12 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 175.9 | -173.1 | 63.6 | 0 | 0 | 0 | 111.7 | A1187 Q1188 S1193 I1194 H1195 V1234 Q1238 L1241 | A1187-L1191 WeakPolarHBondContact O-CB 3.36Å; A1187-L1191 PolarHBondContact O-N 3.08Å; Q1188-L1191 PolarHBondContact O-N 3.33Å; L1191-S1193 VanDerWaalsContact C-N 3.33Å; L1191-S1193 PolarHBondContact O-N 2.98Å; L1191-I1194 PolarHBondContact O-N 3.44Å; L1191-H1195 PolarHBondContact O-N 2.93Å; L1191-V1234 HydrophobicContact CD1-CG1 4.47Å; L1191-Q1238 HydrophobicContact CD2-CG 3.69Å; L1191-Q1238 HydrophobicContact CG-CG 4.39Å; L1191-L1241 HydrophobicContact CD2-CD2 3.73Å |
| 1192 | N | 77.9 | Confident | 74.5 | Confident | 81 Ų | 81 | 79.7 Ų | 79.7 | 43% | 0.433 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63 | -37.8 | 175.5 | -68.2 | -10 | 0 | 0 | 0 | 112.1 | Q1188 Q1189 H1195 S1196 | Q1188-N1192 PolarHBondContact O-N 2.83Å; Q1188-N1192 PolarHBondContact O-ND2 3.33Å; Q1188-N1192 PolarHBondContact O-OD1 3.35Å; Q1189-N1192 PolarHBondContact O-N 3.31Å; N1192-H1195 PolarHBondContact O-N 3.4Å; N1192-S1196 WeakPolarHBondContact O-CB 3.48Å; N1192-S1196 PolarHBondContact O-N 3.29Å |
| 1193 | S | 79.1 | Confident | 73.1 | Confident | 58 Ų | 58 | 78.9 Ų | 78.9 | 41% | 0.406 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.3 | -39.9 | 174.7 | -168.7 | 0 | 0 | 0 | 0 | 112.4 | Q1189 S1190 L1191 K1197 | Q1189-S1193 PolarHBondContact O-N 3.45Å; S1190-S1193 WeakPolarHBondContact O-CB 3.42Å; S1190-S1193 PolarHBondContact O-N 2.62Å; L1191-S1193 VanDerWaalsContact C-N 3.33Å; L1191-S1193 PolarHBondContact O-N 2.98Å; S1193-K1197 WeakPolarHBondContact O-CG 3.41Å; S1193-K1197 PolarHBondContact O-N 3.35Å; S1193-K1197 VanDerWaalsContact O-N 3.14Å |
| 1194 | I | 77.8 | Confident | 71.4 | Confident | 86 Ų | 86 | 77.7 Ų | 77.7 | 44% | 0.441 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.7 | -47.5 | 174.4 | -68.3 | 164.8 | 0 | 0 | 0 | 110.3 | S1190 L1191 S1196 K1197 I1198 | S1190-I1194 WeakPolarHBondContact O-CG1 3.44Å; S1190-I1194 PolarHBondContact O-N 3.35Å; L1191-I1194 PolarHBondContact O-N 3.44Å; I1194-S1196 VanDerWaalsContact C-N 3.35Å; I1194-S1196 PolarHBondContact O-N 2.95Å; I1194-K1197 PolarHBondContact O-N 2.83Å; I1194-I1198 HydrophobicContact CG2-CD1 3.8Å; I1194-I1198 HydrophobicContact CG2-CG1 4.5Å; I1194-I1198 WeakPolarHBondContact O-CG1 3.38Å; I1194-I1198 PolarHBondContact O-N 3.1Å |
| 1195 | H | 69.8 | Low | 69.6 | Low | 72 Ų | 72 | 83 Ų | 83 | 33% | 0.333 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 178.3 | -171.4 | -16.4 | 0 | 0 | 0 | 112.1 | L1191 N1192 K1197 I1198 S1199 | L1191-H1195 PolarHBondContact O-N 2.93Å; N1192-H1195 PolarHBondContact O-N 3.4Å; H1195-K1197 PolarHBondContact O-N 3.48Å; H1195-I1198 PolarHBondContact O-N 3.38Å; H1195-S1199 PolarHBondContact O-N 2.88Å |
| 1196 | S | 73.5 | Confident | 68 | Low | 66 Ų | 66 | 82.8 Ų | 82.8 | 46% | 0.462 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.9 | -42.8 | 176.6 | -178.2 | 0 | 0 | 0 | 0 | 112.3 | N1192 I1194 I1198 S1199 L1200 | N1192-S1196 WeakPolarHBondContact O-CB 3.48Å; N1192-S1196 PolarHBondContact O-N 3.29Å; I1194-S1196 VanDerWaalsContact C-N 3.35Å; I1194-S1196 PolarHBondContact O-N 2.95Å; S1196-I1198 PolarHBondContact O-N 3.46Å; S1196-S1199 PolarHBondContact O-N 3.47Å; S1196-L1200 WeakPolarHBondContact O-CB 3.36Å; S1196-L1200 PolarHBondContact O-N 2.92Å |
| 1197 | K | 74.4 | Confident | 66.1 | Low | 141 Ų | 141 | 83.5 Ų | 83.5 | 61% | 0.613 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.4 | -36.7 | 175.3 | -72.3 | 170.6 | -178.7 | 172.8 | 0 | 113 | S1193 I1194 H1195 K1201 | S1193-K1197 WeakPolarHBondContact O-CG 3.41Å; S1193-K1197 PolarHBondContact O-N 3.35Å; S1193-K1197 VanDerWaalsContact O-N 3.14Å; I1194-K1197 PolarHBondContact O-N 2.83Å; H1195-K1197 PolarHBondContact O-N 3.48Å; K1197-K1201 PolarHBondContact O-N 3.28Å; K1197-K1201 VanDerWaalsContact O-N 3.16Å |
| 1198 | I | 66.1 | Low | 64.4 | Low | 40 Ų | 40 | 87.5 Ų | 87.5 | 21% | 0.205 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -69.1 | -44 | 176.9 | -66.2 | 168.2 | 0 | 0 | 0 | 110.6 | I1194 H1195 S1196 L1200 K1201 A1202 L1230 N1231 V1234 | I1194-I1198 HydrophobicContact CG2-CD1 3.8Å; I1194-I1198 HydrophobicContact CG2-CG1 4.5Å; I1194-I1198 WeakPolarHBondContact O-CG1 3.38Å; I1194-I1198 PolarHBondContact O-N 3.1Å; H1195-I1198 PolarHBondContact O-N 3.38Å; S1196-I1198 PolarHBondContact O-N 3.46Å; I1198-L1200 PolarHBondContact O-N 3.12Å; I1198-K1201 PolarHBondContact O-N 2.98Å; I1198-A1202 PolarHBondContact O-N 3.11Å; I1198-L1230 HydrophobicContact CD1-CD2 4.36Å; I1198-N1231 WeakPolarHBondContact CG2-OD1 3.4Å; I1198-V1234 HydrophobicContact CD1-CG2 4.31Å |
| 1199 | S | 59.3 | Low | 62.8 | Low | 63 Ų | 63 | 93 Ų | 93 | 44% | 0.441 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 175.6 | -71.2 | 0 | 0 | 0 | 0 | 113.1 | H1195 S1196 K1201 A1202 A1203 | H1195-S1199 PolarHBondContact O-N 2.88Å; S1196-S1199 PolarHBondContact O-N 3.47Å; S1199-K1201 VanDerWaalsContact C-N 3.29Å; S1199-K1201 PolarHBondContact O-N 2.91Å; S1199-A1202 PolarHBondContact O-N 3.35Å; S1199-A1203 PolarHBondContact O-N 3.37Å; S1199-A1203 VanDerWaalsContact O-N 3.13Å |
| 1200 | L | 59 | Low | 60.5 | Low | 126 Ų | 126 | 95.9 Ų | 95.9 | 66% | 0.66 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.8 | -35.1 | 174.3 | -90.3 | 158.3 | 0 | 0 | 0 | 112.6 | S1196 I1198 G1204 | S1196-L1200 WeakPolarHBondContact O-CB 3.36Å; S1196-L1200 PolarHBondContact O-N 2.92Å; I1198-L1200 PolarHBondContact O-N 3.12Å; L1200-G1204 PolarHBondContact O-N 2.84Å |
| 1201 | K | 57.1 | Low | 58.1 | Low | 154 Ų | 154 | 99.2 Ų | 99.2 | 67% | 0.67 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -73.1 | -41.2 | 176.2 | -164.5 | 171.2 | -176.9 | -179 | 0 | 112 | K1197 I1198 S1199 A1203 G1204 | K1197-K1201 PolarHBondContact O-N 3.28Å; K1197-K1201 VanDerWaalsContact O-N 3.16Å; I1198-K1201 PolarHBondContact O-N 2.98Å; S1199-K1201 VanDerWaalsContact C-N 3.29Å; S1199-K1201 PolarHBondContact O-N 2.91Å; K1201-A1203 VanDerWaalsContact C-N 3.25Å; K1201-A1203 PolarHBondContact O-N 3.05Å; K1201-G1204 PolarHBondContact O-N 3.44Å; K1201-G1204 VanDerWaalsContact O-N 3.17Å |
| 1202 | A | 53.5 | Low | 56 | Low | 67 Ų | 67 | 103 Ų | 103 | 55% | 0.554 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.3 | -28.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | I1198 S1199 | I1198-A1202 PolarHBondContact O-N 3.11Å; S1199-A1202 PolarHBondContact O-N 3.35Å |
| 1203 | A | 50.7 | Low | 53.8 | Low | 66 Ų | 66 | 105.6 Ų | 105.6 | 55% | 0.545 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -85.2 | -15.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S1199 K1201 | S1199-A1203 PolarHBondContact O-N 3.37Å; S1199-A1203 VanDerWaalsContact O-N 3.13Å; K1201-A1203 VanDerWaalsContact C-N 3.25Å; K1201-A1203 PolarHBondContact O-N 3.05Å |
| 1204 | G | 50.7 | Low | 51.7 | Low | 53 Ų | 53 | 110.5 Ų | 110.5 | 55% | 0.546 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -76.4 | -32.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1200 K1201 T1206 | L1200-G1204 PolarHBondContact O-N 2.84Å; K1201-G1204 PolarHBondContact O-N 3.44Å; K1201-G1204 VanDerWaalsContact O-N 3.17Å; G1204-T1206 VanDerWaalsContact C-N 3.29Å; G1204-T1206 PolarHBondContact O-N 2.95Å |
| 1205 | D | 47.7 | Very low | 49.6 | Very low | 140 Ų | 140 | 111.5 Ų | 111.5 | 75% | 0.749 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | 10 | -172.4 | -66 | -25 | 0 | 0 | 0 | 113.8 | ||
| 1206 | T | 46.9 | Very low | 49 | Very low | 109 Ų | 109 | 113.4 Ų | 113.4 | 67% | 0.669 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | -4.1 | -172.4 | -27.7 | 0 | 0 | 0 | 0 | 115.6 | G1204 | G1204-T1206 VanDerWaalsContact C-N 3.29Å; G1204-T1206 PolarHBondContact O-N 2.95Å |
| 1207 | V | 45.4 | Very low | 47 | Very low | 126 Ų | 126 | 118.9 Ų | 118.9 | 76% | 0.764 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -127.4 | 8.6 | -165 | -169 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1208 | V | 46.1 | Very low | 45.5 | Very low | 131 Ų | 131 | 120.2 Ų | 120.2 | 79% | 0.794 | 69% | 0.688 | S | S | * | * | trans | -139.2 | 105.7 | 173 | -170.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1209 | I | 40.2 | Very low | 44.2 | Very low | 170 Ų | 170 | 126 Ų | 126 | 87% | 0.872 | 71% | 0.714 | S | S | * | * | trans | 175.2 | 116.1 | 135.1 | -86 | 148.6 | 0 | 0 | 0 | 107.3 | ||||
| 1210 | E | 34.3 | Very low | 43.2 | Very low | 172 Ų | 172 | 126 Ų | 126 | 80% | 0.804 | 71% | 0.714 | S | S | * | * | trans | -144.9 | 133.7 | 158.2 | -159.9 | 175.5 | -133.9 | 0 | 0 | 108.9 | ||||
| 1211 | N | 32.2 | Very low | 42.6 | Very low | 139 Ų | 139 | 125.5 Ų | 125.5 | 74% | 0.743 | 72% | 0.718 | S | S | * | * | trans | 92.1 | 107.7 | 175.8 | -51.2 | -63.3 | 0 | 0 | 0 | 119.4 | ||||
| 1212 | S | 33.7 | Very low | 42.4 | Very low | 104 Ų | 104 | 124.3 Ų | 124.3 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | trans | 63.8 | 134.7 | 145.3 | -72.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1213 | D | 33.1 | Very low | 42.3 | Very low | 135 Ų | 135 | 127.1 Ų | 127.1 | 72% | 0.722 | 71% | 0.714 | S | S | * | * | cis | -150.4 | 150.7 | 5.1 | -87.5 | -34.8 | 0 | 0 | 0 | 112.4 | ||||
| 1214 | I | 33.5 | Very low | 42.4 | Very low | 161 Ų | 161 | 131.7 Ų | 131.7 | 83% | 0.826 | 73% | 0.725 | S | S | * | * | trans | 21.7 | 129.9 | 137 | -55.5 | 171.4 | 0 | 0 | 0 | 117.3 | ||||
| 1215 | S | 34.5 | Very low | 42.5 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 74% | 0.741 | 73% | 0.727 | S | S | * | * | cis | -170.6 | -167.9 | -4.1 | -157.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1216 | P | 57.2 | Low | 42.8 | Very low | 113 Ų | 113 | 133.4 Ų | 133.4 | 73% | 0.734 | 72% | 0.722 | S | S | * | * | -121.2 | 150.2 | -104.7 | 38.3 | -21.5 | 0 | 0 | 0 | 116.1 | |||||
| 1217 | E | 30.9 | Very low | 43.4 | Very low | 180 Ų | 180 | 131.2 Ų | 131.2 | 84% | 0.841 | 71% | 0.711 | S | S | * | * | trans | -158.4 | 133.1 | 148 | -126.2 | 171.9 | 178.6 | 0 | 0 | 113.8 | ||||
| 1218 | M | 43.2 | Very low | 44.2 | Very low | 169 Ų | 169 | 129.6 Ų | 129.6 | 83% | 0.833 | 70% | 0.701 | S | S | * | * | trans | 23.3 | 107.6 | 165.4 | -62.7 | -166.3 | -73.5 | 0 | 0 | 121.4 | ||||
| 1219 | E | 38.1 | Very low | 45 | Very low | 163 Ų | 163 | 126.4 Ų | 126.4 | 76% | 0.762 | 69% | 0.685 | S | S | * | * | trans | -134.3 | 155.5 | 138 | -93.4 | -147.8 | 159.6 | 0 | 0 | 111.4 | K1223 | E1219-K1223 VanDerWaalsContact CD-NZ 3.26Å; E1219-K1223 IonicContact OE1-NZ 2.63Å; E1219-K1223 PolarHBondContact OE1-NZ 2.87Å; E1219-K1223 VanDerWaalsContact OE1-NZ 3.13Å; E1219-K1223 IonicContact OE2-NZ 3.3Å; E1219-K1223 PolarHBondContact OE2-NZ 3.31Å | ||
| 1220 | S | 39.6 | Very low | 46.2 | Very low | 63 Ų | 63 | 123.1 Ų | 123.1 | 44% | 0.441 | 67% | 0.669 | S | S | . | * | trans | -90.4 | 156.4 | -161.7 | 59.2 | 0 | 0 | 0 | 0 | 115.5 | E1222 | S1220-E1222 PolarHBondContact O-N 2.95Å; S1220-E1222 VanDerWaalsContact O-N 3.15Å | ||
| 1221 | P | 47.1 | Very low | 47.9 | Very low | 114 Ų | 114 | 118.2 Ų | 118.2 | 74% | 0.74 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 10.6 | 179.1 | 33.6 | -37.8 | 0 | 0 | 0 | 115 | T1225 | P1221-T1225 PolarHBondContact O-OG1 3.26Š|
| 1222 | E | 52.4 | Low | 49.9 | Very low | 129 Ų | 129 | 117.3 Ų | 117.3 | 60% | 0.603 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -80.9 | -20 | -170.8 | -64.9 | -177.1 | 147.4 | 0 | 0 | 114 | S1220 T1225 M1226 | S1220-E1222 PolarHBondContact O-N 2.95Å; S1220-E1222 VanDerWaalsContact O-N 3.15Å; E1222-T1225 PolarHBondContact O-OG1 3.44Å; E1222-M1226 PolarHBondContact O-N 2.96Å |
| 1223 | K | 51 | Low | 51.8 | Low | 126 Ų | 126 | 115.4 Ų | 115.4 | 55% | 0.548 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -72.4 | -39.5 | -174.3 | -71.1 | 175.2 | -174.6 | 165.6 | 0 | 113.6 | E1219 S1227 | E1219-K1223 VanDerWaalsContact CD-NZ 3.26Å; E1219-K1223 IonicContact OE1-NZ 2.63Å; E1219-K1223 PolarHBondContact OE1-NZ 2.87Å; E1219-K1223 VanDerWaalsContact OE1-NZ 3.13Å; E1219-K1223 IonicContact OE2-NZ 3.3Å; E1219-K1223 PolarHBondContact OE2-NZ 3.31Å; K1223-S1227 PolarHBondContact O-N 3.19Å |
| 1224 | E | 52.4 | Low | 53.7 | Low | 163 Ų | 163 | 109.7 Ų | 109.7 | 76% | 0.762 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -72.8 | -40 | 177.4 | -80.8 | -171.7 | 132.3 | 0 | 0 | 112.6 | M1226 S1227 V1228 | E1224-M1226 VanDerWaalsContact C-N 3.29Å; E1224-M1226 PolarHBondContact O-N 3.25Å; E1224-S1227 PolarHBondContact O-N 3.45Å; E1224-S1227 PolarHBondContact O-OG 2.86Å; E1224-V1228 PolarHBondContact O-N 3.36Å |
| 1225 | T | 53.8 | Low | 55.5 | Low | 96 Ų | 96 | 105.7 Ų | 105.7 | 59% | 0.589 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.2 | -34.3 | 177.7 | 40.1 | 0 | 0 | 0 | 0 | 112.3 | P1221 E1222 S1229 | P1221-T1225 PolarHBondContact O-OG1 3.26Å; E1222-T1225 PolarHBondContact O-OG1 3.44Å; T1225-S1229 VanDerWaalsContact O-CB 3.28Å; T1225-S1229 WeakPolarHBondContact O-CB 3.28Å; T1225-S1229 PolarHBondContact O-N 3.35Å; T1225-S1229 VanDerWaalsContact O-N 3.09Å |
| 1226 | M | 53.9 | Low | 57.5 | Low | 132 Ų | 132 | 106 Ų | 106 | 65% | 0.65 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -68.3 | -35.1 | 172.9 | -78.3 | -148.1 | -72.8 | 0 | 0 | 113.8 | E1222 E1224 L1230 | E1222-M1226 PolarHBondContact O-N 2.96Å; E1224-M1226 VanDerWaalsContact C-N 3.29Å; E1224-M1226 PolarHBondContact O-N 3.25Å; M1226-L1230 WeakPolarHBondContact O-CB 3.49Å; M1226-L1230 PolarHBondContact O-N 3.47Å |
| 1227 | S | 58 | Low | 58.5 | Low | 63 Ų | 63 | 105 Ų | 105 | 44% | 0.441 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -70 | -39.3 | 179.9 | 75 | 0 | 0 | 0 | 0 | 112.3 | K1223 E1224 L1230 N1231 | K1223-S1227 PolarHBondContact O-N 3.19Å; E1224-S1227 PolarHBondContact O-N 3.45Å; E1224-S1227 PolarHBondContact O-OG 2.86Å; S1227-L1230 PolarHBondContact O-N 3.37Å; S1227-N1231 PolarHBondContact O-N 2.92Å; S1227-N1231 VanDerWaalsContact O-N 3.1Å; S1227-N1231 PolarHBondContact O-ND2 3Å |
| 1228 | V | 62.3 | Low | 60.5 | Low | 92 Ų | 92 | 99.1 Ų | 99.1 | 56% | 0.558 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.5 | -45.8 | 174.9 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | E1224 L1230 N1231 Q1232 | E1224-V1228 PolarHBondContact O-N 3.36Å; V1228-L1230 VanDerWaalsContact C-N 3.34Å; V1228-L1230 PolarHBondContact O-N 3.16Å; V1228-N1231 PolarHBondContact O-N 3.12Å; V1228-Q1232 WeakPolarHBondContact O-CB 3.43Å; V1228-Q1232 PolarHBondContact O-N 2.85Å |
| 1229 | S | 63.2 | Low | 62.1 | Low | 65 Ų | 65 | 97 Ų | 97 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -56.4 | -45.1 | 174.7 | 177.6 | 0 | 0 | 0 | 0 | 112.3 | T1225 Q1232 T1233 | T1225-S1229 VanDerWaalsContact O-CB 3.28Å; T1225-S1229 WeakPolarHBondContact O-CB 3.28Å; T1225-S1229 PolarHBondContact O-N 3.35Å; T1225-S1229 VanDerWaalsContact O-N 3.09Å; S1229-Q1232 PolarHBondContact O-N 3.33Å; S1229-T1233 WeakPolarHBondContact O-CB 3.38Å; S1229-T1233 PolarHBondContact O-N 2.95Å; S1229-T1233 PolarHBondContact O-OG1 2.83Å |
| 1230 | L | 66.9 | Low | 64 | Low | 101 Ų | 101 | 94 Ų | 94 | 53% | 0.529 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.6 | -44.5 | -179.4 | -156 | 78.2 | 0 | 0 | 0 | 111.9 | I1198 M1226 S1227 V1228 Q1232 T1233 V1234 | I1198-L1230 HydrophobicContact CD1-CD2 4.36Å; M1226-L1230 WeakPolarHBondContact O-CB 3.49Å; M1226-L1230 PolarHBondContact O-N 3.47Å; S1227-L1230 PolarHBondContact O-N 3.37Å; V1228-L1230 VanDerWaalsContact C-N 3.34Å; V1228-L1230 PolarHBondContact O-N 3.16Å; L1230-Q1232 VanDerWaalsContact C-N 3.35Å; L1230-Q1232 PolarHBondContact O-N 3.46Å; L1230-T1233 PolarHBondContact O-N 3.49Å; L1230-V1234 WeakPolarHBondContact O-CG2 3.48Å; L1230-V1234 PolarHBondContact O-N 3.3Å |
| 1231 | N | 68.6 | Low | 65.7 | Low | 68 Ų | 68 | 92.4 Ų | 92.4 | 36% | 0.364 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 175.6 | -79.2 | -35.7 | 0 | 0 | 0 | 111.7 | I1198 S1227 V1228 T1233 V1234 T1235 | I1198-N1231 WeakPolarHBondContact CG2-OD1 3.4Å; S1227-N1231 PolarHBondContact O-N 2.92Å; S1227-N1231 VanDerWaalsContact O-N 3.1Å; S1227-N1231 PolarHBondContact O-ND2 3Å; V1228-N1231 PolarHBondContact O-N 3.12Å; N1231-T1233 VanDerWaalsContact C-N 3.31Å; N1231-T1233 PolarHBondContact O-N 2.87Å; N1231-V1234 PolarHBondContact O-N 3.31Å; N1231-T1235 PolarHBondContact O-N 3.26Å; N1231-T1235 PolarHBondContact O-OG1 3.21Å |
| 1232 | Q | 74 | Confident | 67.1 | Low | 121 Ų | 121 | 93 Ų | 93 | 57% | 0.565 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.3 | -36.6 | 177.9 | -159.5 | 167.2 | 21.8 | 0 | 0 | 111.9 | V1228 S1229 L1230 T1235 Q1236 | V1228-Q1232 WeakPolarHBondContact O-CB 3.43Å; V1228-Q1232 PolarHBondContact O-N 2.85Å; S1229-Q1232 PolarHBondContact O-N 3.33Å; L1230-Q1232 VanDerWaalsContact C-N 3.35Å; L1230-Q1232 PolarHBondContact O-N 3.46Å; Q1232-T1235 PolarHBondContact O-N 3.01Å; Q1232-Q1236 WeakPolarHBondContact O-CG 3.39Å; Q1232-Q1236 PolarHBondContact O-N 3.17Å; Q1232-Q1236 VanDerWaalsContact O-N 3.08Å |
| 1233 | T | 73.4 | Confident | 68.2 | Low | 63 Ų | 63 | 92.7 Ų | 92.7 | 39% | 0.387 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.4 | -40.9 | 173.7 | -50.7 | 0 | 0 | 0 | 0 | 111.8 | S1229 L1230 N1231 Q1236 L1237 | S1229-T1233 WeakPolarHBondContact O-CB 3.38Å; S1229-T1233 PolarHBondContact O-N 2.95Å; S1229-T1233 PolarHBondContact O-OG1 2.83Å; L1230-T1233 PolarHBondContact O-N 3.49Å; N1231-T1233 VanDerWaalsContact C-N 3.31Å; N1231-T1233 PolarHBondContact O-N 2.87Å; T1233-Q1236 PolarHBondContact O-N 3.1Å; T1233-L1237 HydrophobicContact CG2-CD1 4.45Å; T1233-L1237 WeakPolarHBondContact O-CG 3.46Å; T1233-L1237 PolarHBondContact O-N 3.46Å |
| 1234 | V | 72.8 | Confident | 69.4 | Low | 16 Ų | 16 | 89.9 Ų | 89.9 | 10% | 0.097 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -64.2 | -40.1 | 175.2 | 170.7 | 0 | 0 | 0 | 0 | 111.6 | L1191 I1198 L1230 N1231 L1237 Q1238 | L1191-V1234 HydrophobicContact CD1-CG1 4.47Å; I1198-V1234 HydrophobicContact CD1-CG2 4.31Å; L1230-V1234 WeakPolarHBondContact O-CG2 3.48Å; L1230-V1234 PolarHBondContact O-N 3.3Å; N1231-V1234 PolarHBondContact O-N 3.31Å; V1234-L1237 PolarHBondContact O-N 3Å; V1234-Q1238 PolarHBondContact O-N 3.32Å |
| 1235 | T | 73.2 | Confident | 70.1 | Confident | 77 Ų | 77 | 85 Ų | 85 | 47% | 0.472 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 175.5 | -49.4 | 0 | 0 | 0 | 0 | 111.9 | N1231 Q1232 L1237 Q1238 Q1239 | N1231-T1235 PolarHBondContact O-N 3.26Å; N1231-T1235 PolarHBondContact O-OG1 3.21Å; Q1232-T1235 PolarHBondContact O-N 3.01Å; T1235-L1237 VanDerWaalsContact C-N 3.34Å; T1235-L1237 PolarHBondContact O-N 2.62Å; T1235-Q1238 PolarHBondContact O-N 3.4Å; T1235-Q1239 PolarHBondContact O-N 2.99Å |
| 1236 | Q | 76 | Confident | 71 | Confident | 112 Ų | 112 | 85.4 Ų | 85.4 | 52% | 0.523 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 175 | -72.8 | 174.2 | -2 | 0 | 0 | 112.2 | Q1232 T1233 Q1239 L1240 | Q1232-Q1236 WeakPolarHBondContact O-CG 3.39Å; Q1232-Q1236 PolarHBondContact O-N 3.17Å; Q1232-Q1236 VanDerWaalsContact O-N 3.08Å; T1233-Q1236 PolarHBondContact O-N 3.1Å; Q1236-Q1239 PolarHBondContact O-N 3.17Å; Q1236-L1240 PolarHBondContact O-N 3.14Å |
| 1237 | L | 77.1 | Confident | 71.7 | Confident | 91 Ų | 91 | 85.5 Ų | 85.5 | 48% | 0.476 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.3 | -39.7 | 174.6 | -75.6 | 167.7 | 0 | 0 | 0 | 112.5 | T1233 V1234 T1235 Q1239 L1241 | T1233-L1237 HydrophobicContact CG2-CD1 4.45Å; T1233-L1237 WeakPolarHBondContact O-CG 3.46Å; T1233-L1237 PolarHBondContact O-N 3.46Å; V1234-L1237 PolarHBondContact O-N 3Å; T1235-L1237 VanDerWaalsContact C-N 3.34Å; T1235-L1237 PolarHBondContact O-N 2.62Å; L1237-Q1239 VanDerWaalsContact C-N 3.34Å; L1237-L1241 VanDerWaalsContact O-CB 3.25Å; L1237-L1241 WeakPolarHBondContact O-CB 3.28Å; L1237-L1241 PolarHBondContact O-N 3.48Å |
| 1238 | Q | 73.1 | Confident | 71.9 | Confident | 58 Ų | 58 | 86 Ų | 86 | 27% | 0.271 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.1 | -39.7 | 173 | -76.9 | -177.3 | -47.1 | 0 | 0 | 112.1 | L1191 V1234 T1235 L1241 Q1242 | L1191-Q1238 HydrophobicContact CD2-CG 3.69Å; L1191-Q1238 HydrophobicContact CG-CG 4.39Å; V1234-Q1238 PolarHBondContact O-N 3.32Å; T1235-Q1238 PolarHBondContact O-N 3.4Å; Q1238-L1241 PolarHBondContact O-N 3.4Å; Q1238-Q1242 WeakPolarHBondContact O-CB 3.35Å; Q1238-Q1242 PolarHBondContact O-N 2.84Å |
| 1239 | Q | 77.3 | Confident | 71.7 | Confident | 124 Ų | 124 | 86.4 Ų | 86.4 | 58% | 0.579 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -69.7 | -42.3 | -178.3 | -162 | 163 | 4.5 | 0 | 0 | 111.9 | T1235 Q1236 L1237 L1241 Q1242 E1243 | T1235-Q1239 PolarHBondContact O-N 2.99Å; Q1236-Q1239 PolarHBondContact O-N 3.17Å; L1237-Q1239 VanDerWaalsContact C-N 3.34Å; Q1239-L1241 PolarHBondContact O-N 3.22Å; Q1239-Q1242 PolarHBondContact O-N 3.19Å; Q1239-E1243 PolarHBondContact O-N 3.28Å |
| 1240 | L | 78 | Confident | 71.2 | Confident | 100 Ų | 100 | 90.7 Ų | 90.7 | 52% | 0.524 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.5 | -41.1 | 170.8 | -75.4 | 167.8 | 0 | 0 | 0 | 112.1 | Q1236 Q1242 E1243 V1244 | Q1236-L1240 PolarHBondContact O-N 3.14Å; L1240-Q1242 VanDerWaalsContact C-N 3.26Å; L1240-Q1242 PolarHBondContact O-N 3Å; L1240-E1243 PolarHBondContact O-N 2.9Å; L1240-V1244 WeakPolarHBondContact O-CG2 3.47Å; L1240-V1244 PolarHBondContact O-N 3.22Å |
| 1241 | L | 76 | Confident | 70.2 | Confident | 29 Ų | 29 | 93.5 Ų | 93.5 | 15% | 0.152 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -65.9 | -30.1 | 177.5 | -164.8 | 64.4 | 0 | 0 | 0 | 112.1 | L1184 Q1188 L1191 L1237 Q1238 Q1239 N1245 | L1184-L1241 HydrophobicContact CD1-CD1 3.53Å; Q1188-L1241 HydrophobicContact CB-CD2 4.44Å; L1191-L1241 HydrophobicContact CD2-CD2 3.73Å; L1237-L1241 VanDerWaalsContact O-CB 3.25Å; L1237-L1241 WeakPolarHBondContact O-CB 3.28Å; L1237-L1241 PolarHBondContact O-N 3.48Å; Q1238-L1241 PolarHBondContact O-N 3.4Å; Q1239-L1241 PolarHBondContact O-N 3.22Å; L1241-N1245 PolarHBondContact O-N 3.37Å; L1241-N1245 VanDerWaalsContact O-N 3.15Å; L1241-N1245 PolarHBondContact O-ND2 2.91Å |
| 1242 | Q | 75.6 | Confident | 68.9 | Low | 127 Ų | 127 | 98 Ų | 98 | 59% | 0.593 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -75.6 | -37.1 | 173.6 | -167.7 | 172.6 | 7.4 | 0 | 0 | 112.4 | Q1238 Q1239 L1240 N1245 Q1246 | Q1238-Q1242 WeakPolarHBondContact O-CB 3.35Å; Q1238-Q1242 PolarHBondContact O-N 2.84Å; Q1239-Q1242 PolarHBondContact O-N 3.19Å; L1240-Q1242 VanDerWaalsContact C-N 3.26Å; L1240-Q1242 PolarHBondContact O-N 3Å; Q1242-N1245 PolarHBondContact O-N 3.14Å; Q1242-Q1246 PolarHBondContact O-N 3.49Å |
| 1243 | E | 76.2 | Confident | 68.7 | Low | 122 Ų | 122 | 96.9 Ų | 96.9 | 57% | 0.57 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.2 | -44.4 | 171.3 | -80.3 | -173.8 | 137.5 | 0 | 0 | 112.2 | Q1239 L1240 N1245 Q1246 Q1247 | Q1239-E1243 PolarHBondContact O-N 3.28Å; L1240-E1243 PolarHBondContact O-N 2.9Å; E1243-N1245 VanDerWaalsContact C-N 3.34Å; E1243-N1245 PolarHBondContact O-N 3.46Å; E1243-Q1246 CarbonylContact O-C 3.55Å; E1243-Q1246 PolarHBondContact O-N 3.17Å; E1243-Q1246 VanDerWaalsContact O-N 3.09Å; E1243-Q1247 PolarHBondContact O-N 3.28Å |
| 1244 | V | 74.9 | Confident | 68.4 | Low | 67 Ų | 67 | 98.6 Ų | 98.6 | 41% | 0.406 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 175.8 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | L1240 Q1246 Q1247 L1248 | L1240-V1244 WeakPolarHBondContact O-CG2 3.47Å; L1240-V1244 PolarHBondContact O-N 3.22Å; V1244-Q1246 VanDerWaalsContact C-N 3.33Å; V1244-Q1246 PolarHBondContact O-N 3.47Å; V1244-Q1247 PolarHBondContact O-N 3.16Å; V1244-L1248 PolarHBondContact O-N 3.23Å |
| 1245 | N | 67.1 | Low | 68.2 | Low | 62 Ų | 62 | 103.2 Ų | 103.2 | 33% | 0.332 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.5 | -37.1 | 173.1 | -88.2 | -67.8 | 0 | 0 | 0 | 112.9 | L1184 L1241 Q1242 E1243 L1248 T1249 | L1184-N1245 WeakPolarHBondContact CD2-OD1 3.42Å; L1241-N1245 PolarHBondContact O-N 3.37Å; L1241-N1245 VanDerWaalsContact O-N 3.15Å; L1241-N1245 PolarHBondContact O-ND2 2.91Å; Q1242-N1245 PolarHBondContact O-N 3.14Å; E1243-N1245 VanDerWaalsContact C-N 3.34Å; E1243-N1245 PolarHBondContact O-N 3.46Å; N1245-L1248 PolarHBondContact O-N 3.39Å; N1245-T1249 PolarHBondContact O-N 3.07Å; N1245-T1249 VanDerWaalsContact O-N 3.16Å; N1245-T1249 PolarHBondContact O-OG1 3.46Å |
| 1246 | Q | 72.9 | Confident | 67.9 | Low | 104 Ų | 104 | 104.8 Ų | 104.8 | 49% | 0.486 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -72.3 | -26.5 | 175.2 | -81.1 | -164.9 | 11.7 | 0 | 0 | 114 | Q1242 E1243 V1244 T1249 K1250 | Q1242-Q1246 PolarHBondContact O-N 3.49Å; E1243-Q1246 CarbonylContact O-C 3.55Å; E1243-Q1246 PolarHBondContact O-N 3.17Å; E1243-Q1246 VanDerWaalsContact O-N 3.09Å; V1244-Q1246 VanDerWaalsContact C-N 3.33Å; V1244-Q1246 PolarHBondContact O-N 3.47Å; Q1246-T1249 WeakPolarHBondContact CA-OG1 3.32Å; Q1246-K1250 WeakPolarHBondContact O-CD 3.47Å; Q1246-K1250 VanDerWaalsContact O-CG 3.29Å; Q1246-K1250 WeakPolarHBondContact O-CG 3.45Å |
| 1247 | Q | 68.9 | Low | 67.4 | Low | 134 Ų | 134 | 104.3 Ų | 104.3 | 63% | 0.626 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -72.7 | -45.5 | 170 | -79.2 | -178.9 | -34.7 | 0 | 0 | 110.7 | E1243 V1244 T1249 K1250 E1251 | E1243-Q1247 PolarHBondContact O-N 3.28Å; V1244-Q1247 PolarHBondContact O-N 3.16Å; Q1247-T1249 PolarHBondContact O-N 3.25Å; Q1247-K1250 PolarHBondContact O-N 3.12Å; Q1247-E1251 PolarHBondContact O-N 2.64Å |
| 1248 | L | 62.6 | Low | 66.8 | Low | 74 Ų | 74 | 105.2 Ų | 105.2 | 39% | 0.387 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.8 | -32.3 | 178.8 | -126.6 | 76.3 | 0 | 0 | 0 | 113.4 | L1184 V1244 N1245 | L1184-L1248 HydrophobicContact CD2-CD2 4.3Å; V1244-L1248 PolarHBondContact O-N 3.23Å; N1245-L1248 PolarHBondContact O-N 3.39Å |
| 1249 | T | 57.8 | Low | 66.3 | Low | 99 Ų | 99 | 108.6 Ų | 108.6 | 61% | 0.607 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 0.6 | 176.1 | 39.2 | 0 | 0 | 0 | 0 | 114.6 | N1245 Q1246 Q1247 | N1245-T1249 PolarHBondContact O-N 3.07Å; N1245-T1249 VanDerWaalsContact O-N 3.16Å; N1245-T1249 PolarHBondContact O-OG1 3.46Å; Q1246-T1249 WeakPolarHBondContact CA-OG1 3.32Å; Q1247-T1249 PolarHBondContact O-N 3.25Å |
| 1250 | K | 52.7 | Low | 65.5 | Low | 156 Ų | 156 | 107.4 Ų | 107.4 | 68% | 0.678 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | -10.7 | 173 | -76 | 172.9 | -176 | 167 | 0 | 113.7 | Q1246 Q1247 | Q1246-K1250 WeakPolarHBondContact O-CD 3.47Å; Q1246-K1250 VanDerWaalsContact O-CG 3.29Å; Q1246-K1250 WeakPolarHBondContact O-CG 3.45Å; Q1247-K1250 PolarHBondContact O-N 3.12Å |
| 1251 | E | 46.5 | Very low | 64.4 | Low | 159 Ų | 159 | 108 Ų | 108 | 74% | 0.743 | 55% | 0.548 | S | S | * | . | trans | -107 | 11.2 | 177.4 | -65.5 | -169.9 | 153.7 | 0 | 0 | 113.5 | Q1247 | Q1247-E1251 PolarHBondContact O-N 2.64Š| ||
| 1252 | T | 41.8 | Very low | 63.4 | Low | 163 Ų | 163 | 115.2 Ų | 115.2 | 100% | 1 | 58% | 0.584 | S | S | * | * | trans | -97.7 | 0 | 163.4 | 54.2 | 0 | 0 | 0 | 0 | 110.7 |
Retrieved 1,252 of 1,252 residues in 301.8 ms
(Link to these results)