| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 52.5 | Low | 76 | Confident | 190 Ų | 190 | 121.4 Ų | 121.4 | 94% | 0.936 | 63% | 0.634 | S | S | * | * | 0 | -52.3 | 0 | -140.1 | 159.8 | 58.1 | 0 | 0 | 111.9 | Q3 E4 E5 | M1-Q3 VanDerWaalsContact C-N 3.28Å; M1-Q3 PolarHBondContact O-N 3.16Å; M1-E4 PolarHBondContact O-N 3.34Å; M1-E5 PolarHBondContact O-N 3.27Å | |||
| 2 | N | 65.2 | Low | 76.9 | Confident | 132 Ų | 132 | 118.8 Ų | 118.8 | 71% | 0.706 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -58.6 | -30.9 | 178.3 | -69.4 | 4.2 | 0 | 0 | 0 | 115.6 | S6 | N2-S6 VanDerWaalsContact O-CB 3.32Å; N2-S6 WeakPolarHBondContact O-CB 3.41Å; N2-S6 PolarHBondContact O-N 3.39Å; N2-S6 PolarHBondContact O-OG 3.33Å |
| 3 | Q | 73.5 | Confident | 77.7 | Confident | 156 Ų | 156 | 118.4 Ų | 118.4 | 73% | 0.729 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -80.5 | -28.9 | -174.3 | -151.9 | 167.3 | -15.6 | 0 | 0 | 113 | M1 S6 L7 | M1-Q3 VanDerWaalsContact C-N 3.28Å; M1-Q3 PolarHBondContact O-N 3.16Å; Q3-S6 PolarHBondContact O-OG 2.88Å; Q3-L7 WeakPolarHBondContact O-CG 3.19Å; Q3-L7 PolarHBondContact O-N 3.4Å |
| 4 | E | 75.4 | Confident | 78.5 | Confident | 157 Ų | 157 | 115.4 Ų | 115.4 | 73% | 0.734 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -83.5 | -37.5 | 178 | -161 | 165.2 | -159.9 | 0 | 0 | 110.5 | M1 S8 | M1-E4 PolarHBondContact O-N 3.34Å; E4-S8 VanDerWaalsContact O-CB 3.24Å; E4-S8 WeakPolarHBondContact O-CB 3.32Å; E4-S8 PolarHBondContact O-N 3.3Å |
| 5 | E | 78 | Confident | 79.2 | Confident | 129 Ų | 129 | 113.4 Ų | 113.4 | 60% | 0.603 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.8 | -38 | 167.3 | -89.2 | -173.5 | 146.3 | 0 | 0 | 112.5 | M1 R9 | M1-E5 PolarHBondContact O-N 3.27Å; E5-R9 VanDerWaalsContact O-CB 3.31Å; E5-R9 WeakPolarHBondContact O-CB 3.46Å; E5-R9 PolarHBondContact O-N 2.78Å |
| 6 | S | 79.3 | Confident | 80 | Confident | 64 Ų | 64 | 113.7 Ų | 113.7 | 45% | 0.448 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -69.6 | -40.8 | 178.1 | 74.3 | 0 | 0 | 0 | 0 | 112.4 | N2 Q3 R9 A10 | N2-S6 VanDerWaalsContact O-CB 3.32Å; N2-S6 WeakPolarHBondContact O-CB 3.41Å; N2-S6 PolarHBondContact O-N 3.39Å; N2-S6 PolarHBondContact O-OG 3.33Å; Q3-S6 PolarHBondContact O-OG 2.88Å; S6-R9 PolarHBondContact O-N 2.95Å; S6-A10 WeakPolarHBondContact O-CB 3.31Å; S6-A10 PolarHBondContact O-N 2.9Å |
| 7 | L | 80.5 | Confident | 80.5 | Confident | 120 Ų | 120 | 117.6 Ų | 117.6 | 63% | 0.628 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.9 | -42.3 | 173.8 | -79.4 | 169.2 | 0 | 0 | 0 | 111.7 | Q3 A10 S11 | Q3-L7 WeakPolarHBondContact O-CG 3.19Å; Q3-L7 PolarHBondContact O-N 3.4Å; L7-A10 PolarHBondContact O-N 3.18Å; L7-S11 WeakPolarHBondContact O-CB 3.35Å; L7-S11 PolarHBondContact O-N 2.88Å |
| 8 | S | 83.1 | Confident | 81.1 | Confident | 64 Ų | 64 | 117.9 Ų | 117.9 | 45% | 0.448 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.2 | -45.2 | 174.6 | -176.9 | 0 | 0 | 0 | 0 | 111.4 | E4 A10 S11 I12 | E4-S8 VanDerWaalsContact O-CB 3.24Å; E4-S8 WeakPolarHBondContact O-CB 3.32Å; E4-S8 PolarHBondContact O-N 3.3Å; S8-A10 VanDerWaalsContact C-N 3.35Å; S8-A10 PolarHBondContact O-N 3.25Å; S8-S11 PolarHBondContact O-N 3Å; S8-I12 WeakPolarHBondContact O-CB 3.33Å; S8-I12 VanDerWaalsContact O-CG1 3.23Å; S8-I12 WeakPolarHBondContact O-CG1 3.46Å; S8-I12 PolarHBondContact O-N 3.38Å |
| 9 | R | 81.7 | Confident | 81.7 | Confident | 183 Ų | 183 | 118.2 Ų | 118.2 | 69% | 0.691 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -58.1 | -44.7 | 172.2 | -106.8 | 177 | 169.1 | -102.8 | 2.8 | 112.1 | E5 S6 I12 E13 | E5-R9 VanDerWaalsContact O-CB 3.31Å; E5-R9 WeakPolarHBondContact O-CB 3.46Å; E5-R9 PolarHBondContact O-N 2.78Å; S6-R9 PolarHBondContact O-N 2.95Å; R9-I12 PolarHBondContact O-N 3.4Å; R9-E13 VanDerWaalsContact O-CB 3.29Å; R9-E13 WeakPolarHBondContact O-CB 3.44Å; R9-E13 PolarHBondContact O-N 2.81Å |
| 10 | A | 83.5 | Confident | 82.3 | Confident | 58 Ų | 58 | 116.3 Ų | 116.3 | 48% | 0.479 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.5 | -41 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S6 L7 S8 E13 D14 | S6-A10 WeakPolarHBondContact O-CB 3.31Å; S6-A10 PolarHBondContact O-N 2.9Å; L7-A10 PolarHBondContact O-N 3.18Å; S8-A10 VanDerWaalsContact C-N 3.35Å; S8-A10 PolarHBondContact O-N 3.25Å; A10-E13 PolarHBondContact O-N 3.32Å; A10-D14 VanDerWaalsContact O-CB 3.31Å; A10-D14 WeakPolarHBondContact O-CB 3.4Å; A10-D14 PolarHBondContact O-N 2.91Å |
| 11 | S | 83.2 | Confident | 82.8 | Confident | 82 Ų | 82 | 114 Ų | 114 | 57% | 0.573 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.5 | -43.5 | 175.2 | -171.6 | 0 | 0 | 0 | 0 | 111.9 | L7 S8 D14 E15 | L7-S11 WeakPolarHBondContact O-CB 3.35Å; L7-S11 PolarHBondContact O-N 2.88Å; S8-S11 PolarHBondContact O-N 3Å; S11-D14 PolarHBondContact O-N 3.25Å; S11-E15 WeakPolarHBondContact O-CB 3.47Å; S11-E15 PolarHBondContact O-N 2.84Å |
| 12 | I | 86.4 | Confident | 84.7 | Confident | 91 Ų | 91 | 109.2 Ų | 109.2 | 47% | 0.467 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 175.8 | -67.4 | 164.7 | 0 | 0 | 0 | 111.2 | S8 R9 E15 K16 | S8-I12 WeakPolarHBondContact O-CB 3.33Å; S8-I12 VanDerWaalsContact O-CG1 3.23Å; S8-I12 WeakPolarHBondContact O-CG1 3.46Å; S8-I12 PolarHBondContact O-N 3.38Å; R9-I12 PolarHBondContact O-N 3.4Å; I12-E15 PolarHBondContact O-N 3.37Å; I12-K16 WeakPolarHBondContact O-CB 3.36Å; I12-K16 WeakPolarHBondContact O-CG 3.42Å; I12-K16 PolarHBondContact O-N 2.82Å |
| 13 | E | 88.1 | Confident | 86 | Confident | 113 Ų | 113 | 109 Ų | 109 | 53% | 0.528 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.2 | -38.7 | 176.5 | -163.2 | 90.4 | -130.6 | 0 | 0 | 111.3 | R9 A10 K16 R17 | R9-E13 VanDerWaalsContact O-CB 3.29Å; R9-E13 WeakPolarHBondContact O-CB 3.44Å; R9-E13 PolarHBondContact O-N 2.81Å; A10-E13 PolarHBondContact O-N 3.32Å; E13-K16 PolarHBondContact O-N 3.38Å; E13-R17 PolarHBondContact O-N 2.89Å |
| 14 | D | 88.4 | Confident | 87 | Confident | 76 Ų | 76 | 107.7 Ų | 107.7 | 41% | 0.406 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.5 | -40.1 | 174.9 | -166.1 | 61.8 | 0 | 0 | 0 | 111.6 | A10 S11 R17 R18 | A10-D14 VanDerWaalsContact O-CB 3.31Å; A10-D14 WeakPolarHBondContact O-CB 3.4Å; A10-D14 PolarHBondContact O-N 2.91Å; S11-D14 PolarHBondContact O-N 3.25Å; D14-R17 PolarHBondContact O-N 3.23Å; D14-R18 WeakPolarHBondContact O-CB 3.5Å; D14-R18 PolarHBondContact O-N 2.96Å; D14-R18 IonicContact OD2-NH2 3.81Å; D14-R18 PolarHBondContact OD2-NH2 3.25Å |
| 15 | E | 89.4 | Confident | 87.9 | Confident | 86 Ų | 86 | 105.3 Ų | 105.3 | 40% | 0.402 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.9 | -40.1 | 173.8 | -168.6 | 61.8 | -158.9 | 0 | 0 | 111.4 | S11 I12 R17 R18 E19 | S11-E15 WeakPolarHBondContact O-CB 3.47Å; S11-E15 PolarHBondContact O-N 2.84Å; I12-E15 PolarHBondContact O-N 3.37Å; E15-R17 PolarHBondContact O-N 3.36Å; E15-R18 CarbonylContact O-C 3.56Å; E15-R18 WeakPolarHBondContact O-CB 3.46Å; E15-R18 PolarHBondContact O-N 3.02Å; E15-R18 VanDerWaalsContact O-N 3.15Å; E15-R18 IonicContact OE2-CZ 2.64Å; E15-R18 IonicContact OE2-NE 2.63Å; E15-R18 IonicContact OE2-NH1 3.42Å; E15-E19 PolarHBondContact O-N 2.81Å |
| 16 | K | 91.5 | Very high | 88.7 | Confident | 118 Ų | 118 | 103.8 Ų | 103.8 | 51% | 0.513 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62 | -42.1 | 171.2 | -77.3 | 178.6 | -178.4 | -179.9 | 0 | 112 | I12 E13 R18 V20 | I12-K16 WeakPolarHBondContact O-CB 3.36Å; I12-K16 WeakPolarHBondContact O-CG 3.42Å; I12-K16 PolarHBondContact O-N 2.82Å; E13-K16 PolarHBondContact O-N 3.38Å; K16-R18 VanDerWaalsContact C-N 3.28Å; K16-R18 PolarHBondContact O-N 3.17Å; K16-V20 WeakPolarHBondContact O-CB 3.48Å; K16-V20 WeakPolarHBondContact O-CG2 3.38Å; K16-V20 PolarHBondContact O-N 3.43Å |
| 17 | R | 88.1 | Confident | 89.4 | Confident | 180 Ų | 180 | 102.7 Ų | 102.7 | 68% | 0.679 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.3 | -39 | 173.4 | -86.1 | -173 | 87.6 | -115.1 | 5.4 | 111.1 | E13 D14 E15 S21 | E13-R17 PolarHBondContact O-N 2.89Å; D14-R17 PolarHBondContact O-N 3.23Å; E15-R17 PolarHBondContact O-N 3.36Å; R17-S21 WeakPolarHBondContact O-CB 3.49Å; R17-S21 PolarHBondContact O-N 3.29Å |
| 18 | R | 91.9 | Very high | 90.2 | Very high | 123 Ų | 123 | 101 Ų | 101 | 46% | 0.464 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.9 | -50.3 | 177.6 | -168.8 | -179.7 | -55.4 | -175.6 | 7.3 | 111.2 | D14 E15 K16 V20 S21 D22 | D14-R18 WeakPolarHBondContact O-CB 3.5Å; D14-R18 PolarHBondContact O-N 2.96Å; D14-R18 IonicContact OD2-NH2 3.81Å; D14-R18 PolarHBondContact OD2-NH2 3.25Å; E15-R18 CarbonylContact O-C 3.56Å; E15-R18 WeakPolarHBondContact O-CB 3.46Å; E15-R18 PolarHBondContact O-N 3.02Å; E15-R18 VanDerWaalsContact O-N 3.15Å; E15-R18 IonicContact OE2-CZ 2.64Å; E15-R18 IonicContact OE2-NE 2.63Å; E15-R18 IonicContact OE2-NH1 3.42Å; K16-R18 VanDerWaalsContact C-N 3.28Å; K16-R18 PolarHBondContact O-N 3.17Å; R18-V20 VanDerWaalsContact C-N 3.33Å; R18-V20 PolarHBondContact O-N 3.01Å; R18-S21 CarbonylContact O-C 3.56Å; R18-S21 PolarHBondContact O-N 3.14Å; R18-S21 VanDerWaalsContact O-N 3.14Å; R18-D22 VanDerWaalsContact O-CB 3.3Å; R18-D22 WeakPolarHBondContact O-CB 3.45Å; R18-D22 PolarHBondContact O-N 2.83Å |
| 19 | E | 93.1 | Very high | 90.7 | Very high | 124 Ų | 124 | 100.6 Ų | 100.6 | 58% | 0.579 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -57.2 | -44.8 | 174.1 | -81.6 | -173.8 | 157.7 | 0 | 0 | 111.8 | E15 D22 H23 | E15-E19 PolarHBondContact O-N 2.81Å; E19-D22 PolarHBondContact O-N 3.43Å; E19-H23 WeakPolarHBondContact O-CB 3.47Å; E19-H23 PolarHBondContact O-N 3.49Å |
| 20 | V | 92.7 | Very high | 91.4 | Very high | 79 Ų | 79 | 94.4 Ų | 94.4 | 48% | 0.479 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 176.6 | 169.9 | 0 | 0 | 0 | 0 | 110.6 | K16 R18 H23 F24 | K16-V20 WeakPolarHBondContact O-CB 3.48Å; K16-V20 WeakPolarHBondContact O-CG2 3.38Å; K16-V20 PolarHBondContact O-N 3.43Å; R18-V20 VanDerWaalsContact C-N 3.33Å; R18-V20 PolarHBondContact O-N 3.01Å; V20-H23 PolarHBondContact O-N 2.99Å; V20-F24 HydrophobicContact CG1-CD2 3.6Å; V20-F24 HydrophobicContact CG1-CE2 3.45Å; V20-F24 VanDerWaalsContact CG1-CE2 3.45Å; V20-F24 WeakPolarHBondContact O-CD2 3.35Å; V20-F24 PolarHBondContact O-N 2.75Å |
| 21 | S | 92.2 | Very high | 92 | Very high | 69 Ų | 69 | 97 Ų | 97 | 48% | 0.483 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 177.6 | -171.9 | 0 | 0 | 0 | 0 | 111.9 | R17 R18 H23 F24 Q25 | R17-S21 WeakPolarHBondContact O-CB 3.49Å; R17-S21 PolarHBondContact O-N 3.29Å; R18-S21 CarbonylContact O-C 3.56Å; R18-S21 PolarHBondContact O-N 3.14Å; R18-S21 VanDerWaalsContact O-N 3.14Å; S21-H23 VanDerWaalsContact C-N 3.35Å; S21-F24 PolarHBondContact O-N 3.44Å; S21-Q25 VanDerWaalsContact O-CB 3.23Å; S21-Q25 WeakPolarHBondContact O-CB 3.37Å; S21-Q25 PolarHBondContact O-N 2.81Å |
| 22 | D | 93.4 | Very high | 92.6 | Very high | 89 Ų | 89 | 98.6 Ų | 98.6 | 48% | 0.476 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68 | -36.8 | 177.7 | -75.2 | -8.6 | 0 | 0 | 0 | 110.6 | R18 E19 Q25 T26 | R18-D22 VanDerWaalsContact O-CB 3.3Å; R18-D22 WeakPolarHBondContact O-CB 3.45Å; R18-D22 PolarHBondContact O-N 2.83Å; E19-D22 PolarHBondContact O-N 3.43Å; D22-Q25 PolarHBondContact O-N 3.34Å; D22-T26 WeakPolarHBondContact O-CB 3.49Å; D22-T26 PolarHBondContact O-N 2.84Å; D22-T26 PolarHBondContact O-OG1 3.5Å |
| 23 | H | 93 | Very high | 93.1 | Very high | 127 Ų | 127 | 98.6 Ų | 98.6 | 59% | 0.588 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.6 | -46 | 172.1 | -178.7 | -79.4 | 0 | 0 | 0 | 111.2 | E19 V20 S21 S27 | E19-H23 WeakPolarHBondContact O-CB 3.47Å; E19-H23 PolarHBondContact O-N 3.49Å; V20-H23 PolarHBondContact O-N 2.99Å; S21-H23 VanDerWaalsContact C-N 3.35Å; H23-S27 VanDerWaalsContact O-CB 3.24Å; H23-S27 WeakPolarHBondContact O-CB 3.37Å; H23-S27 PolarHBondContact O-N 3.42Å; H23-S27 PolarHBondContact O-OG 2.95Å |
| 24 | F | 93.6 | Very high | 93.5 | Very high | 129 Ų | 129 | 98.7 Ų | 98.7 | 57% | 0.566 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.3 | -44.4 | 173.8 | -83.1 | -63.8 | 0 | 0 | 0 | 111.6 | V20 S21 S27 I28 | V20-F24 HydrophobicContact CG1-CD2 3.6Å; V20-F24 HydrophobicContact CG1-CE2 3.45Å; V20-F24 VanDerWaalsContact CG1-CE2 3.45Å; V20-F24 WeakPolarHBondContact O-CD2 3.35Å; V20-F24 PolarHBondContact O-N 2.75Å; S21-F24 PolarHBondContact O-N 3.44Å; F24-S27 WeakPolarHBondContact O-CB 3.49Å; F24-S27 PolarHBondContact O-N 3.13Å; F24-I28 WeakPolarHBondContact O-CB 3.46Å; F24-I28 WeakPolarHBondContact O-CG1 3.48Å; F24-I28 PolarHBondContact O-N 3.31Å |
| 25 | Q | 94.5 | Very high | 93.8 | Very high | 108 Ų | 108 | 100 Ų | 100 | 51% | 0.505 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 179.4 | -173.5 | 61.3 | 30.3 | 0 | 0 | 111.5 | S21 D22 S27 I28 T29 | S21-Q25 VanDerWaalsContact O-CB 3.23Å; S21-Q25 WeakPolarHBondContact O-CB 3.37Å; S21-Q25 PolarHBondContact O-N 2.81Å; D22-Q25 PolarHBondContact O-N 3.34Å; Q25-S27 VanDerWaalsContact C-N 3.34Å; Q25-I28 PolarHBondContact O-N 2.83Å; Q25-T29 VanDerWaalsContact O-CB 3.29Å; Q25-T29 WeakPolarHBondContact O-CB 3.4Å; Q25-T29 PolarHBondContact O-N 2.93Å; Q25-T29 PolarHBondContact O-OG1 2.94Å |
| 26 | T | 94.7 | Very high | 94.1 | Very high | 96 Ų | 96 | 99.3 Ų | 99.3 | 59% | 0.589 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.6 | -41.5 | 174.1 | -59.1 | 0 | 0 | 0 | 0 | 110.6 | D22 T29 S30 | D22-T26 WeakPolarHBondContact O-CB 3.49Å; D22-T26 PolarHBondContact O-N 2.84Å; D22-T26 PolarHBondContact O-OG1 3.5Å; T26-T29 PolarHBondContact O-N 3.26Å; T26-S30 VanDerWaalsContact O-CB 3.24Å; T26-S30 WeakPolarHBondContact O-CB 3.22Å; T26-S30 PolarHBondContact O-N 2.81Å |
| 27 | S | 95.3 | Very high | 94.4 | Very high | 41 Ų | 41 | 100.3 Ų | 100.3 | 29% | 0.287 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.6 | -45.1 | 176.2 | -61.3 | 0 | 0 | 0 | 0 | 111.9 | H23 F24 Q25 S30 I31 | H23-S27 VanDerWaalsContact O-CB 3.24Å; H23-S27 WeakPolarHBondContact O-CB 3.37Å; H23-S27 PolarHBondContact O-N 3.42Å; H23-S27 PolarHBondContact O-OG 2.95Å; F24-S27 WeakPolarHBondContact O-CB 3.49Å; F24-S27 PolarHBondContact O-N 3.13Å; Q25-S27 VanDerWaalsContact C-N 3.34Å; S27-S30 PolarHBondContact O-N 3.46Å; S27-I31 VanDerWaalsContact O-CG1 3.29Å; S27-I31 WeakPolarHBondContact O-CG1 3.27Å; S27-I31 PolarHBondContact O-N 3.38Å |
| 28 | I | 96.1 | Very high | 94.7 | Very high | 85 Ų | 85 | 99 Ų | 99 | 44% | 0.436 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.3 | -47.3 | 175.5 | -71.2 | 165 | 0 | 0 | 0 | 110 | F24 Q25 S30 I31 Q32 | F24-I28 WeakPolarHBondContact O-CB 3.46Å; F24-I28 WeakPolarHBondContact O-CG1 3.48Å; F24-I28 PolarHBondContact O-N 3.31Å; Q25-I28 PolarHBondContact O-N 2.83Å; I28-S30 VanDerWaalsContact C-N 3.32Å; I28-S30 PolarHBondContact O-N 3.36Å; I28-I31 PolarHBondContact O-N 3.49Å; I28-Q32 VanDerWaalsContact O-CB 3.26Å; I28-Q32 WeakPolarHBondContact O-CB 3.49Å; I28-Q32 PolarHBondContact O-N 2.97Å |
| 29 | T | 94.9 | Very high | 94.9 | Very high | 56 Ų | 56 | 99.1 Ų | 99.1 | 34% | 0.344 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.4 | -40.7 | 178.7 | -55.2 | 0 | 0 | 0 | 0 | 111 | Q25 T26 Q32 N33 | Q25-T29 VanDerWaalsContact O-CB 3.29Å; Q25-T29 WeakPolarHBondContact O-CB 3.4Å; Q25-T29 PolarHBondContact O-N 2.93Å; Q25-T29 PolarHBondContact O-OG1 2.94Å; T26-T29 PolarHBondContact O-N 3.26Å; T29-Q32 PolarHBondContact O-N 3.44Å; T29-N33 WeakPolarHBondContact O-CB 3.36Å; T29-N33 PolarHBondContact O-N 3.18Å; T29-N33 PolarHBondContact O-ND2 3.47Å |
| 30 | S | 96 | Very high | 95.1 | Very high | 53 Ų | 53 | 97.2 Ų | 97.2 | 37% | 0.371 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.8 | -47.8 | 175.1 | -178.4 | 0 | 0 | 0 | 0 | 112 | T26 S27 I28 Q32 N33 Q34 | T26-S30 VanDerWaalsContact O-CB 3.24Å; T26-S30 WeakPolarHBondContact O-CB 3.22Å; T26-S30 PolarHBondContact O-N 2.81Å; S27-S30 PolarHBondContact O-N 3.46Å; I28-S30 VanDerWaalsContact C-N 3.32Å; I28-S30 PolarHBondContact O-N 3.36Å; S30-Q32 VanDerWaalsContact C-N 3.31Å; S30-Q32 PolarHBondContact O-N 2.79Å; S30-N33 PolarHBondContact O-N 3.45Å; S30-Q34 WeakPolarHBondContact O-CG 3.42Å; S30-Q34 PolarHBondContact O-N 3.08Å |
| 31 | I | 96 | Very high | 95.3 | Very high | 112 Ų | 112 | 100.1 Ų | 100.1 | 57% | 0.574 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.6 | -41.2 | 175.5 | -68.6 | 165.9 | 0 | 0 | 0 | 110.7 | S27 I28 Q34 L35 | S27-I31 VanDerWaalsContact O-CG1 3.29Å; S27-I31 WeakPolarHBondContact O-CG1 3.27Å; S27-I31 PolarHBondContact O-N 3.38Å; I28-I31 PolarHBondContact O-N 3.49Å; I31-Q34 PolarHBondContact O-N 2.91Å; I31-L35 WeakPolarHBondContact O-CB 3.24Å; I31-L35 PolarHBondContact O-N 3.36Å |
| 32 | Q | 95.8 | Very high | 95.5 | Very high | 115 Ų | 115 | 99 Ų | 99 | 54% | 0.537 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.9 | -40.4 | 179.2 | -168.2 | 170.3 | -16.5 | 0 | 0 | 111.6 | I28 T29 S30 L35 C36 | I28-Q32 VanDerWaalsContact O-CB 3.26Å; I28-Q32 WeakPolarHBondContact O-CB 3.49Å; I28-Q32 PolarHBondContact O-N 2.97Å; T29-Q32 PolarHBondContact O-N 3.44Å; S30-Q32 VanDerWaalsContact C-N 3.31Å; S30-Q32 PolarHBondContact O-N 2.79Å; Q32-L35 PolarHBondContact O-N 3.36Å; Q32-C36 WeakPolarHBondContact O-CB 3.16Å; Q32-C36 PolarHBondContact O-N 3.19Å; Q32-C36 PolarHBondContact O-SG 2.99Å |
| 33 | N | 95.9 | Very high | 95.7 | Very high | 91 Ų | 91 | 99 Ų | 99 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63 | -45.8 | 172.8 | -72.5 | -15.1 | 0 | 0 | 0 | 111.3 | T29 S30 L35 C36 E37 | T29-N33 WeakPolarHBondContact O-CB 3.36Å; T29-N33 PolarHBondContact O-N 3.18Å; T29-N33 PolarHBondContact O-ND2 3.47Å; S30-N33 PolarHBondContact O-N 3.45Å; N33-L35 VanDerWaalsContact C-N 3.31Å; N33-L35 PolarHBondContact O-N 3.1Å; N33-C36 WeakPolarHBondContact O-CB 3.03Å; N33-C36 PolarHBondContact O-N 2.97Å; N33-E37 WeakPolarHBondContact O-CB 3.41Å; N33-E37 WeakPolarHBondContact O-CG 3.48Å; N33-E37 PolarHBondContact O-N 3.49Å |
| 34 | Q | 96.3 | Very high | 95.9 | Very high | 116 Ų | 116 | 97.7 Ų | 97.7 | 54% | 0.542 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.4 | -38.9 | 175.4 | -72.6 | 177.7 | 24 | 0 | 0 | 112.2 | S30 I31 E37 Y38 | S30-Q34 WeakPolarHBondContact O-CG 3.42Å; S30-Q34 PolarHBondContact O-N 3.08Å; I31-Q34 PolarHBondContact O-N 2.91Å; Q34-E37 PolarHBondContact O-N 2.78Å; Q34-Y38 VanDerWaalsContact O-CB 3.23Å; Q34-Y38 WeakPolarHBondContact O-CB 3.48Å; Q34-Y38 PolarHBondContact O-N 3.41Å |
| 35 | L | 96.3 | Very high | 96.1 | Very high | 104 Ų | 104 | 95.1 Ų | 95.1 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.6 | -44.1 | 175.4 | -179.3 | 62.7 | 0 | 0 | 0 | 111.3 | I31 Q32 N33 Y38 Q39 | I31-L35 WeakPolarHBondContact O-CB 3.24Å; I31-L35 PolarHBondContact O-N 3.36Å; Q32-L35 PolarHBondContact O-N 3.36Å; N33-L35 VanDerWaalsContact C-N 3.31Å; N33-L35 PolarHBondContact O-N 3.1Å; L35-Y38 PolarHBondContact O-N 2.87Å; L35-Q39 VanDerWaalsContact O-CB 3.31Å; L35-Q39 WeakPolarHBondContact O-CB 3.4Å; L35-Q39 PolarHBondContact O-N 3.28Å |
| 36 | C | 95.1 | Very high | 96.2 | Very high | 71 Ų | 71 | 97.9 Ų | 97.9 | 48% | 0.48 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.5 | -45.2 | 174.8 | -75 | 0 | 0 | 0 | 0 | 111.8 | Q32 N33 Q39 S40 | Q32-C36 WeakPolarHBondContact O-CB 3.16Å; Q32-C36 PolarHBondContact O-N 3.19Å; Q32-C36 PolarHBondContact O-SG 2.99Å; N33-C36 WeakPolarHBondContact O-CB 3.03Å; N33-C36 PolarHBondContact O-N 2.97Å; C36-Q39 PolarHBondContact O-N 2.88Å; C36-S40 WeakPolarHBondContact O-CB 3.35Å; C36-S40 PolarHBondContact O-N 2.94Å |
| 37 | E | 96.5 | Very high | 96.4 | Very high | 139 Ų | 139 | 98.3 Ų | 98.3 | 65% | 0.65 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.6 | -45.3 | 174.9 | -75.6 | 178.9 | -175.6 | 0 | 0 | 111.6 | N33 Q34 Q39 S40 K41 | N33-E37 WeakPolarHBondContact O-CB 3.41Å; N33-E37 WeakPolarHBondContact O-CG 3.48Å; N33-E37 PolarHBondContact O-N 3.49Å; Q34-E37 PolarHBondContact O-N 2.78Å; E37-Q39 VanDerWaalsContact C-N 3.35Å; E37-Q39 PolarHBondContact O-N 3.49Å; E37-S40 PolarHBondContact O-N 2.85Å; E37-K41 WeakPolarHBondContact O-CB 3.5Å; E37-K41 PolarHBondContact O-N 3.44Å |
| 38 | Y | 95.9 | Very high | 96.5 | Very high | 153 Ų | 153 | 101 Ų | 101 | 60% | 0.6 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.9 | -46.3 | 176 | 179.2 | -93.7 | 0 | 0 | 0 | 111.1 | Q34 L35 K41 N42 | Q34-Y38 VanDerWaalsContact O-CB 3.23Å; Q34-Y38 WeakPolarHBondContact O-CB 3.48Å; Q34-Y38 PolarHBondContact O-N 3.41Å; L35-Y38 PolarHBondContact O-N 2.87Å; Y38-K41 PolarHBondContact O-N 2.84Å; Y38-N42 WeakPolarHBondContact O-CB 3.43Å; Y38-N42 PolarHBondContact O-N 2.92Å |
| 39 | Q | 95.7 | Very high | 96.5 | Very high | 125 Ų | 125 | 101.9 Ų | 101.9 | 58% | 0.584 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.6 | -43.7 | 177.9 | -173.3 | 173.3 | -4.7 | 0 | 0 | 111.3 | L35 C36 E37 N42 V43 | L35-Q39 VanDerWaalsContact O-CB 3.31Å; L35-Q39 WeakPolarHBondContact O-CB 3.4Å; L35-Q39 PolarHBondContact O-N 3.28Å; C36-Q39 PolarHBondContact O-N 2.88Å; E37-Q39 VanDerWaalsContact C-N 3.35Å; E37-Q39 PolarHBondContact O-N 3.49Å; Q39-N42 PolarHBondContact O-N 3.28Å; Q39-V43 WeakPolarHBondContact O-CG2 3.27Å; Q39-V43 PolarHBondContact O-N 3.5Å |
| 40 | S | 96.4 | Very high | 96.6 | Very high | 83 Ų | 83 | 104.3 Ų | 104.3 | 58% | 0.58 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.3 | -49.2 | 175.6 | -172.9 | 0 | 0 | 0 | 0 | 111.9 | C36 E37 N42 V43 E44 | C36-S40 WeakPolarHBondContact O-CB 3.35Å; C36-S40 PolarHBondContact O-N 2.94Å; E37-S40 PolarHBondContact O-N 2.85Å; S40-N42 VanDerWaalsContact C-N 3.3Å; S40-N42 PolarHBondContact O-N 3.28Å; S40-V43 WeakPolarHBondContact O-CB 3.37Å; S40-V43 PolarHBondContact O-N 2.92Å; S40-E44 PolarHBondContact O-N 2.92Å |
| 41 | K | 96.9 | Very high | 96.7 | Very high | 141 Ų | 141 | 106.4 Ų | 106.4 | 61% | 0.613 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.3 | -38.1 | 176.1 | -174.9 | 172.8 | -176.2 | 174 | 0 | 112.3 | E37 Y38 V43 E44 L45 | E37-K41 WeakPolarHBondContact O-CB 3.5Å; E37-K41 PolarHBondContact O-N 3.44Å; Y38-K41 PolarHBondContact O-N 2.84Å; K41-V43 VanDerWaalsContact C-N 3.34Å; K41-E44 PolarHBondContact O-N 2.99Å; K41-L45 HydrophobicContact CG-CD1 4.18Å; K41-L45 HydrophobicContact CG-CG 4.44Å; K41-L45 WeakPolarHBondContact O-CB 3.35Å; K41-L45 VanDerWaalsContact O-CG 3.29Å; K41-L45 WeakPolarHBondContact O-CG 3.34Å; K41-L45 PolarHBondContact O-N 3.23Å |
| 42 | N | 97.1 | Very high | 96.8 | Very high | 44 Ų | 44 | 105.2 Ų | 105.2 | 24% | 0.235 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -68.4 | -34.7 | 178.7 | -163.4 | -98.8 | 0 | 0 | 0 | 111.9 | Y38 Q39 S40 R46 | Y38-N42 WeakPolarHBondContact O-CB 3.43Å; Y38-N42 PolarHBondContact O-N 2.92Å; Q39-N42 PolarHBondContact O-N 3.28Å; S40-N42 VanDerWaalsContact C-N 3.3Å; S40-N42 PolarHBondContact O-N 3.28Å; N42-R46 WeakPolarHBondContact O-CG 3.31Å; N42-R46 PolarHBondContact O-N 3.21Å; N42-R46 VanDerWaalsContact O-N 3.09Å; N42-R46 PolarHBondContact OD1-NH1 3.4Å |
| 43 | V | 97.2 | Very high | 96.9 | Very high | 90 Ų | 90 | 102.5 Ų | 102.5 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.5 | -47.2 | 170.9 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | Q39 S40 K41 L45 R46 K47 | Q39-V43 WeakPolarHBondContact O-CG2 3.27Å; Q39-V43 PolarHBondContact O-N 3.5Å; S40-V43 WeakPolarHBondContact O-CB 3.37Å; S40-V43 PolarHBondContact O-N 2.92Å; K41-V43 VanDerWaalsContact C-N 3.34Å; V43-L45 PolarHBondContact O-N 3.26Å; V43-R46 PolarHBondContact O-N 3.37Å; V43-K47 PolarHBondContact O-N 2.94Å |
| 44 | E | 97.2 | Very high | 97 | Very high | 100 Ų | 100 | 103.1 Ų | 103.1 | 47% | 0.467 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.7 | -43 | 177.8 | -165.2 | 64.1 | -137.4 | 0 | 0 | 111.8 | S40 K41 R46 K47 E48 | S40-E44 PolarHBondContact O-N 2.92Å; K41-E44 PolarHBondContact O-N 2.99Å; E44-R46 VanDerWaalsContact C-N 3.3Å; E44-R46 PolarHBondContact O-N 2.81Å; E44-K47 WeakPolarHBondContact O-CB 3.42Å; E44-K47 PolarHBondContact O-N 3.26Å; E44-K47 VanDerWaalsContact O-N 3.1Å; E44-K47 IonicContact OE1-NZ 3.74Å; E44-K47 PolarHBondContact OE1-NZ 3.42Å; E44-E48 PolarHBondContact O-N 3.38Å |
| 45 | L | 97.6 | Very high | 97.1 | Very high | 75 Ų | 75 | 103.3 Ų | 103.3 | 39% | 0.393 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.4 | -36.3 | 175.3 | -75.9 | 171.6 | 0 | 0 | 0 | 112.5 | K41 V43 N49 | K41-L45 HydrophobicContact CG-CD1 4.18Å; K41-L45 HydrophobicContact CG-CG 4.44Å; K41-L45 WeakPolarHBondContact O-CB 3.35Å; K41-L45 VanDerWaalsContact O-CG 3.29Å; K41-L45 WeakPolarHBondContact O-CG 3.34Å; K41-L45 PolarHBondContact O-N 3.23Å; V43-L45 PolarHBondContact O-N 3.26Å; L45-N49 VanDerWaalsContact O-CB 3.31Å; L45-N49 WeakPolarHBondContact O-CB 3.33Å; L45-N49 VanDerWaalsContact O-CG 3.24Å; L45-N49 PolarHBondContact O-N 2.94Å; L45-N49 PolarHBondContact O-ND2 3.31Å |
| 46 | R | 97.6 | Very high | 97.2 | Very high | 165 Ų | 165 | 101.5 Ų | 101.5 | 62% | 0.623 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68.1 | -38.4 | 173.9 | -79.1 | -156.8 | -180 | 82.5 | 10.6 | 111.9 | N42 V43 E44 Q50 | N42-R46 WeakPolarHBondContact O-CG 3.31Å; N42-R46 PolarHBondContact O-N 3.21Å; N42-R46 VanDerWaalsContact O-N 3.09Å; N42-R46 PolarHBondContact OD1-NH1 3.4Å; V43-R46 PolarHBondContact O-N 3.37Å; E44-R46 VanDerWaalsContact C-N 3.3Å; E44-R46 PolarHBondContact O-N 2.81Å; R46-Q50 WeakPolarHBondContact O-CB 3.35Å; R46-Q50 PolarHBondContact O-N 3.42Å |
| 47 | K | 97.5 | Very high | 97.3 | Very high | 105 Ų | 105 | 99.3 Ų | 99.3 | 46% | 0.457 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.3 | -48.2 | 176.4 | -175.7 | -175.9 | 165.2 | -132 | 0 | 111.3 | V43 E44 N49 Q50 E51 | V43-K47 PolarHBondContact O-N 2.94Å; E44-K47 WeakPolarHBondContact O-CB 3.42Å; E44-K47 PolarHBondContact O-N 3.26Å; E44-K47 VanDerWaalsContact O-N 3.1Å; E44-K47 IonicContact OE1-NZ 3.74Å; E44-K47 PolarHBondContact OE1-NZ 3.42Å; K47-N49 PolarHBondContact O-N 3.14Å; K47-Q50 WeakPolarHBondContact O-CB 3.32Å; K47-Q50 PolarHBondContact O-N 2.94Å; K47-Q50 VanDerWaalsContact O-N 3.14Å; K47-E51 WeakPolarHBondContact CE-OE1 3.47Å; K47-E51 IonicContact NZ-OE1 3.82Å; K47-E51 WeakPolarHBondContact O-CG 3.32Å; K47-E51 PolarHBondContact O-N 3.48Å |
| 48 | E | 97.7 | Very high | 97.4 | Very high | 97 Ų | 97 | 99 Ų | 99 | 45% | 0.453 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 175.8 | -173.6 | -176.5 | 178.7 | 0 | 0 | 111.7 | E44 Q50 E51 L52 | E44-E48 PolarHBondContact O-N 3.38Å; E48-Q50 VanDerWaalsContact C-N 3.29Å; E48-Q50 PolarHBondContact O-N 2.89Å; E48-E51 PolarHBondContact O-N 3.46Å; E48-L52 HydrophobicContact CG-CD1 4Å; E48-L52 HydrophobicContact CG-CG 4.42Å; E48-L52 WeakPolarHBondContact O-CB 3.34Å; E48-L52 VanDerWaalsContact O-CG 3.27Å; E48-L52 WeakPolarHBondContact O-CG 3.42Å; E48-L52 PolarHBondContact O-N 3.38Å |
| 49 | N | 96.7 | Very high | 97.5 | Very high | 104 Ų | 104 | 96.7 Ų | 96.7 | 56% | 0.556 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.1 | -38 | 175.2 | -79.5 | -35.4 | 0 | 0 | 0 | 112.5 | L45 K47 A53 | L45-N49 VanDerWaalsContact O-CB 3.31Å; L45-N49 WeakPolarHBondContact O-CB 3.33Å; L45-N49 VanDerWaalsContact O-CG 3.24Å; L45-N49 PolarHBondContact O-N 2.94Å; L45-N49 PolarHBondContact O-ND2 3.31Å; K47-N49 PolarHBondContact O-N 3.14Å; N49-A53 WeakPolarHBondContact O-CB 3.45Å; N49-A53 PolarHBondContact O-N 2.87Å |
| 50 | Q | 97.5 | Very high | 97.6 | Very high | 108 Ų | 108 | 95.5 Ų | 95.5 | 51% | 0.505 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.9 | -46.2 | 175.3 | -179.4 | 61.8 | 29.5 | 0 | 0 | 111.2 | R46 K47 E48 L52 A53 E54 | R46-Q50 WeakPolarHBondContact O-CB 3.35Å; R46-Q50 PolarHBondContact O-N 3.42Å; K47-Q50 WeakPolarHBondContact O-CB 3.32Å; K47-Q50 PolarHBondContact O-N 2.94Å; K47-Q50 VanDerWaalsContact O-N 3.14Å; E48-Q50 VanDerWaalsContact C-N 3.29Å; E48-Q50 PolarHBondContact O-N 2.89Å; Q50-L52 VanDerWaalsContact C-N 3.34Å; Q50-L52 PolarHBondContact O-N 3.02Å; Q50-A53 PolarHBondContact O-N 3.28Å; Q50-E54 WeakPolarHBondContact CG-OE1 3.44Å; Q50-E54 PolarHBondContact NE2-OE1 3.43Å; Q50-E54 WeakPolarHBondContact O-CG 3.33Å; Q50-E54 PolarHBondContact O-N 2.87Å |
| 51 | E | 97.8 | Very high | 97.7 | Very high | 96 Ų | 96 | 98.4 Ų | 98.4 | 45% | 0.449 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.1 | -41 | 175.8 | -71.1 | 175.2 | -170.7 | 0 | 0 | 111.8 | K47 E48 E54 K55 | K47-E51 WeakPolarHBondContact CE-OE1 3.47Å; K47-E51 IonicContact NZ-OE1 3.82Å; K47-E51 WeakPolarHBondContact O-CG 3.32Å; K47-E51 PolarHBondContact O-N 3.48Å; E48-E51 PolarHBondContact O-N 3.46Å; E51-E54 PolarHBondContact O-N 2.95Å; E51-K55 VanDerWaalsContact O-CB 3.24Å; E51-K55 WeakPolarHBondContact O-CB 3.43Å; E51-K55 PolarHBondContact O-N 3.33Å |
| 52 | L | 98.2 | Very high | 97.7 | Very high | 87 Ų | 87 | 96.7 Ų | 96.7 | 46% | 0.455 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 175 | -75.3 | 167.6 | 0 | 0 | 0 | 112 | E48 Q50 S56 | E48-L52 HydrophobicContact CG-CD1 4Å; E48-L52 HydrophobicContact CG-CG 4.42Å; E48-L52 WeakPolarHBondContact O-CB 3.34Å; E48-L52 VanDerWaalsContact O-CG 3.27Å; E48-L52 WeakPolarHBondContact O-CG 3.42Å; E48-L52 PolarHBondContact O-N 3.38Å; Q50-L52 VanDerWaalsContact C-N 3.34Å; Q50-L52 PolarHBondContact O-N 3.02Å; L52-S56 VanDerWaalsContact O-CB 3.3Å; L52-S56 WeakPolarHBondContact O-CB 3.47Å; L52-S56 PolarHBondContact O-N 3.44Å; L52-S56 PolarHBondContact O-OG 3Å |
| 53 | A | 98.1 | Very high | 97.8 | Very high | 58 Ų | 58 | 99.8 Ų | 99.8 | 48% | 0.479 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.5 | -43.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N49 Q50 S56 G57 | N49-A53 WeakPolarHBondContact O-CB 3.45Å; N49-A53 PolarHBondContact O-N 2.87Å; Q50-A53 PolarHBondContact O-N 3.28Å; A53-S56 PolarHBondContact O-N 3.22Å; A53-G57 PolarHBondContact O-N 3.49Å |
| 54 | E | 98.1 | Very high | 97.9 | Very high | 104 Ų | 104 | 101 Ų | 101 | 49% | 0.486 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61 | -50.2 | 175 | -74.9 | 171.8 | -167.4 | 0 | 0 | 111.2 | Q50 E51 S56 G57 E58 | Q50-E54 WeakPolarHBondContact CG-OE1 3.44Å; Q50-E54 PolarHBondContact NE2-OE1 3.43Å; Q50-E54 WeakPolarHBondContact O-CG 3.33Å; Q50-E54 PolarHBondContact O-N 2.87Å; E51-E54 PolarHBondContact O-N 2.95Å; E54-S56 VanDerWaalsContact C-N 3.32Å; E54-S56 PolarHBondContact O-N 3.36Å; E54-G57 CarbonylContact O-C 3.57Å; E54-G57 WeakPolarHBondContact O-CA 3.35Å; E54-G57 PolarHBondContact O-N 2.88Å; E54-G57 VanDerWaalsContact O-N 3.07Å; E54-E58 WeakPolarHBondContact O-CG 3.43Å; E54-E58 PolarHBondContact O-N 2.93Å |
| 55 | K | 98 | Very high | 97.9 | Very high | 120 Ų | 120 | 103.7 Ų | 103.7 | 52% | 0.522 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.1 | -41.4 | 177.4 | -173.1 | 173.7 | -172.9 | 174.6 | 0 | 112.2 | E51 G57 E58 F59 | E51-K55 VanDerWaalsContact O-CB 3.24Å; E51-K55 WeakPolarHBondContact O-CB 3.43Å; E51-K55 PolarHBondContact O-N 3.33Å; K55-G57 VanDerWaalsContact C-N 3.34Å; K55-E58 PolarHBondContact O-N 3.04Å; K55-F59 HydrophobicContact CD-CE2 4.12Å; K55-F59 HydrophobicContact CG-CD2 3.9Å; K55-F59 HydrophobicContact CG-CE2 3.62Å; K55-F59 WeakPolarHBondContact O-CD2 3.33Å; K55-F59 PolarHBondContact O-N 3.24Å |
| 56 | S | 97.8 | Very high | 98 | Very high | 66 Ų | 66 | 105.1 Ų | 105.1 | 46% | 0.462 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 174.5 | -60.7 | 0 | 0 | 0 | 0 | 111.4 | L52 A53 E54 F59 I60 | L52-S56 VanDerWaalsContact O-CB 3.3Å; L52-S56 WeakPolarHBondContact O-CB 3.47Å; L52-S56 PolarHBondContact O-N 3.44Å; L52-S56 PolarHBondContact O-OG 3Å; A53-S56 PolarHBondContact O-N 3.22Å; E54-S56 VanDerWaalsContact C-N 3.32Å; E54-S56 PolarHBondContact O-N 3.36Å; S56-F59 PolarHBondContact O-N 3.49Å; S56-I60 WeakPolarHBondContact O-CG1 3.4Å; S56-I60 PolarHBondContact O-N 3.34Å |
| 57 | G | 97.9 | Very high | 98 | Very high | 26 Ų | 26 | 103.3 Ų | 103.3 | 27% | 0.268 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.4 | -39.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A53 E54 K55 I60 K61 | A53-G57 PolarHBondContact O-N 3.49Å; E54-G57 CarbonylContact O-C 3.57Å; E54-G57 WeakPolarHBondContact O-CA 3.35Å; E54-G57 PolarHBondContact O-N 2.88Å; E54-G57 VanDerWaalsContact O-N 3.07Å; K55-G57 VanDerWaalsContact C-N 3.34Å; G57-I60 PolarHBondContact O-N 3.43Å; G57-K61 WeakPolarHBondContact O-CG 3.45Å; G57-K61 PolarHBondContact O-N 2.97Å; G57-K61 VanDerWaalsContact O-N 3.12Å |
| 58 | E | 98 | Very high | 98 | Very high | 133 Ų | 133 | 103 Ų | 103 | 62% | 0.621 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.8 | -42.8 | 173.7 | -72.5 | -177.8 | 171.7 | 0 | 0 | 112.2 | E54 K55 I60 K61 Q62 | E54-E58 WeakPolarHBondContact O-CG 3.43Å; E54-E58 PolarHBondContact O-N 2.93Å; K55-E58 PolarHBondContact O-N 3.04Å; E58-I60 VanDerWaalsContact C-N 3.33Å; E58-I60 PolarHBondContact O-N 3.06Å; E58-K61 PolarHBondContact O-N 2.86Å; E58-Q62 WeakPolarHBondContact O-CB 3.39Å; E58-Q62 PolarHBondContact O-N 2.97Å |
| 59 | F | 98.1 | Very high | 98.1 | Very high | 104 Ų | 104 | 104.3 Ų | 104.3 | 46% | 0.456 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.8 | -45 | 174.7 | -84.7 | -59.8 | 0 | 0 | 0 | 111.6 | K55 S56 K61 Q62 H63 | K55-F59 HydrophobicContact CD-CE2 4.12Å; K55-F59 HydrophobicContact CG-CD2 3.9Å; K55-F59 HydrophobicContact CG-CE2 3.62Å; K55-F59 WeakPolarHBondContact O-CD2 3.33Å; K55-F59 PolarHBondContact O-N 3.24Å; S56-F59 PolarHBondContact O-N 3.49Å; F59-K61 PolarHBondContact O-N 3.25Å; F59-Q62 PolarHBondContact O-N 3Å; F59-H63 PolarHBondContact O-CD2 2.97Å; F59-H63 VanDerWaalsContact O-CD2 3.24Å; F59-H63 PolarHBondContact O-N 3.01Å |
| 60 | I | 98 | Very high | 98.2 | Very high | 99 Ų | 99 | 102.2 Ų | 102.2 | 51% | 0.508 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.6 | -51.7 | 176.7 | -69.2 | 164.7 | 0 | 0 | 0 | 110.3 | S56 G57 E58 Q62 H63 E64 | S56-I60 WeakPolarHBondContact O-CG1 3.4Å; S56-I60 PolarHBondContact O-N 3.34Å; G57-I60 PolarHBondContact O-N 3.43Å; E58-I60 VanDerWaalsContact C-N 3.33Å; E58-I60 PolarHBondContact O-N 3.06Å; I60-Q62 VanDerWaalsContact C-N 3.29Å; I60-Q62 PolarHBondContact O-N 3.5Å; I60-H63 WeakPolarHBondContact O-CB 3.45Å; I60-H63 PolarHBondContact O-N 3.28Å; I60-E64 HydrophobicContact CG2-CG 4.42Å; I60-E64 WeakPolarHBondContact O-CG 3.5Å; I60-E64 PolarHBondContact O-N 3.38Å |
| 61 | K | 98.4 | Very high | 98.2 | Very high | 145 Ų | 145 | 101.5 Ų | 101.5 | 63% | 0.63 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -58.9 | -38.9 | 178.4 | -70.2 | 174.3 | -177.1 | 175.4 | 0 | 112.9 | G57 E58 F59 K65 | G57-K61 WeakPolarHBondContact O-CG 3.45Å; G57-K61 PolarHBondContact O-N 2.97Å; G57-K61 VanDerWaalsContact O-N 3.12Å; E58-K61 PolarHBondContact O-N 2.86Å; F59-K61 PolarHBondContact O-N 3.25Å; K61-K65 WeakPolarHBondContact O-CB 3.37Å; K61-K65 PolarHBondContact O-N 3.47Å |
| 62 | Q | 98.3 | Very high | 98.2 | Very high | 105 Ų | 105 | 102 Ų | 102 | 49% | 0.491 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.2 | -39 | 177 | -170.2 | -175.9 | 17.8 | 0 | 0 | 111.7 | E58 F59 I60 R66 | E58-Q62 WeakPolarHBondContact O-CB 3.39Å; E58-Q62 PolarHBondContact O-N 2.97Å; F59-Q62 PolarHBondContact O-N 3Å; I60-Q62 VanDerWaalsContact C-N 3.29Å; I60-Q62 PolarHBondContact O-N 3.5Å; Q62-R66 WeakPolarHBondContact O-CB 3.39Å; Q62-R66 PolarHBondContact O-N 2.67Å |
| 63 | H | 98.3 | Very high | 98.3 | Very high | 108 Ų | 108 | 102.7 Ų | 102.7 | 50% | 0.5 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.7 | -46.4 | 175.6 | -89 | -91.6 | 0 | 0 | 0 | 111.9 | F59 I60 K65 R66 E67 | F59-H63 PolarHBondContact O-CD2 2.97Å; F59-H63 VanDerWaalsContact O-CD2 3.24Å; F59-H63 PolarHBondContact O-N 3.01Å; I60-H63 WeakPolarHBondContact O-CB 3.45Å; I60-H63 PolarHBondContact O-N 3.28Å; H63-K65 VanDerWaalsContact C-N 3.35Å; H63-K65 PolarHBondContact O-N 2.93Å; H63-R66 PolarHBondContact CE1-NH1 2.95Å; H63-R66 VanDerWaalsContact CG-NH1 3.3Å; H63-R66 PolarHBondContact ND1-NH1 2.85Å; H63-R66 PolarHBondContact NE2-NH1 3.11Å; H63-R66 WeakPolarHBondContact O-CB 3.46Å; H63-R66 PolarHBondContact O-N 3.44Å; H63-R66 VanDerWaalsContact O-N 3.11Å; H63-E67 WeakPolarHBondContact O-CB 3.44Å; H63-E67 PolarHBondContact O-N 3.01Å |
| 64 | E | 98.5 | Very high | 98.3 | Very high | 115 Ų | 115 | 105.7 Ų | 105.7 | 54% | 0.537 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.2 | -47 | 175.4 | -70.5 | 171.8 | 168.4 | 0 | 0 | 111.3 | I60 R66 E67 E68 | I60-E64 HydrophobicContact CG2-CG 4.42Å; I60-E64 WeakPolarHBondContact O-CG 3.5Å; I60-E64 PolarHBondContact O-N 3.38Å; E64-R66 VanDerWaalsContact C-N 3.3Å; E64-R66 PolarHBondContact O-N 3.16Å; E64-E67 PolarHBondContact O-N 3.5Å; E64-E68 PolarHBondContact O-N 3.32Å |
| 65 | K | 98.4 | Very high | 98.3 | Very high | 157 Ų | 157 | 106.8 Ų | 106.8 | 68% | 0.683 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62 | -36.8 | 176.6 | -176.2 | 178.2 | 179.8 | 179.5 | 0 | 112.7 | K61 H63 H69 | K61-K65 WeakPolarHBondContact O-CB 3.37Å; K61-K65 PolarHBondContact O-N 3.47Å; H63-K65 VanDerWaalsContact C-N 3.35Å; H63-K65 PolarHBondContact O-N 2.93Å; K65-H69 WeakPolarHBondContact O-CB 3.42Å; K65-H69 PolarHBondContact O-N 3.03Å; K65-H69 VanDerWaalsContact O-N 3.11Å |
| 66 | R | 98.3 | Very high | 98.3 | Very high | 105 Ų | 105 | 104.2 Ų | 104.2 | 40% | 0.396 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.3 | -41.8 | 178.5 | -168.9 | -172.7 | -55 | 104.7 | -2.5 | 111 | Q62 H63 E64 H69 V70 | Q62-R66 WeakPolarHBondContact O-CB 3.39Å; Q62-R66 PolarHBondContact O-N 2.67Å; H63-R66 PolarHBondContact CE1-NH1 2.95Å; H63-R66 VanDerWaalsContact CG-NH1 3.3Å; H63-R66 PolarHBondContact ND1-NH1 2.85Å; H63-R66 PolarHBondContact NE2-NH1 3.11Å; H63-R66 WeakPolarHBondContact O-CB 3.46Å; H63-R66 PolarHBondContact O-N 3.44Å; H63-R66 VanDerWaalsContact O-N 3.11Å; E64-R66 VanDerWaalsContact C-N 3.3Å; E64-R66 PolarHBondContact O-N 3.16Å; R66-H69 WeakPolarHBondContact O-CB 3.41Å; R66-H69 PolarHBondContact O-N 3.45Å; R66-V70 WeakPolarHBondContact O-CG2 3.43Å; R66-V70 PolarHBondContact O-N 2.97Å |
| 67 | E | 98.5 | Very high | 98.4 | Very high | 128 Ų | 128 | 110 Ų | 110 | 60% | 0.598 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.7 | -48.2 | 175.9 | -172.4 | 169.8 | -158.4 | 0 | 0 | 110.8 | H63 E64 H69 V70 D71 | H63-E67 WeakPolarHBondContact O-CB 3.44Å; H63-E67 PolarHBondContact O-N 3.01Å; E64-E67 PolarHBondContact O-N 3.5Å; E67-H69 VanDerWaalsContact C-N 3.25Å; E67-H69 PolarHBondContact O-N 2.9Å; E67-V70 WeakPolarHBondContact O-CA 3.42Å; E67-V70 WeakPolarHBondContact O-CB 3.28Å; E67-V70 PolarHBondContact O-N 3.17Å; E67-D71 PolarHBondContact O-N 3.42Å |
| 68 | E | 98.5 | Very high | 98.4 | Very high | 99 Ų | 99 | 111.1 Ų | 111.1 | 46% | 0.463 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -56.6 | -39.4 | 174.3 | -169.6 | -163.4 | 169.4 | 0 | 0 | 112.1 | E64 K72 | E64-E68 PolarHBondContact O-N 3.32Å; E68-K72 WeakPolarHBondContact O-CG 3.32Å; E68-K72 PolarHBondContact O-N 3.38Å; E68-K72 VanDerWaalsContact O-N 3.13Å; E68-K72 VanDerWaalsContact OE1-CE 3.28Å; E68-K72 WeakPolarHBondContact OE1-CE 3.41Å; E68-K72 IonicContact OE1-NZ 2.69Å; E68-K72 PolarHBondContact OE1-NZ 3.01Å |
| 69 | H | 98.3 | Very high | 98.4 | Very high | 123 Ų | 123 | 109.5 Ų | 109.5 | 57% | 0.569 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.2 | -40.6 | 175.8 | -179 | 59.9 | 0 | 0 | 0 | 112.6 | K65 R66 E67 D71 K72 L73 | K65-H69 WeakPolarHBondContact O-CB 3.42Å; K65-H69 PolarHBondContact O-N 3.03Å; K65-H69 VanDerWaalsContact O-N 3.11Å; R66-H69 WeakPolarHBondContact O-CB 3.41Å; R66-H69 PolarHBondContact O-N 3.45Å; E67-H69 VanDerWaalsContact C-N 3.25Å; E67-H69 PolarHBondContact O-N 2.9Å; H69-D71 VanDerWaalsContact C-N 3.35Å; H69-K72 PolarHBondContact O-N 2.87Å; H69-L73 WeakPolarHBondContact O-CB 3.25Å; H69-L73 PolarHBondContact O-N 3.41Å |
| 70 | V | 98.6 | Very high | 98.5 | Very high | 60 Ų | 60 | 110.3 Ų | 110.3 | 36% | 0.364 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 176.3 | 168.8 | 0 | 0 | 0 | 0 | 110.5 | R66 E67 L73 M74 | R66-V70 WeakPolarHBondContact O-CG2 3.43Å; R66-V70 PolarHBondContact O-N 2.97Å; E67-V70 WeakPolarHBondContact O-CA 3.42Å; E67-V70 WeakPolarHBondContact O-CB 3.28Å; E67-V70 PolarHBondContact O-N 3.17Å; V70-L73 WeakPolarHBondContact O-CB 3.12Å; V70-L73 PolarHBondContact O-N 3.42Å; V70-M74 HydrophobicContact CG1-CE 3.78Å; V70-M74 WeakPolarHBondContact O-CG 3.18Å; V70-M74 PolarHBondContact O-N 3.48Å |
| 71 | D | 98.6 | Very high | 98.5 | Very high | 93 Ų | 93 | 111.4 Ų | 111.4 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.4 | -47.1 | 177.3 | -71.9 | -21.2 | 0 | 0 | 0 | 111.8 | E67 H69 L73 M74 E75 | E67-D71 PolarHBondContact O-N 3.42Å; H69-D71 VanDerWaalsContact C-N 3.35Å; D71-L73 VanDerWaalsContact C-N 3.27Å; D71-L73 PolarHBondContact O-N 3.31Å; D71-M74 PolarHBondContact O-N 2.82Å; D71-M74 VanDerWaalsContact O-N 3.17Å; D71-E75 PolarHBondContact O-N 3.3Å |
| 72 | K | 98.4 | Very high | 98.5 | Very high | 107 Ų | 107 | 110.5 Ų | 110.5 | 47% | 0.465 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.5 | -38 | 174.9 | -72.6 | 174.6 | -173.4 | 169.7 | 0 | 112.3 | E68 H69 T76 | E68-K72 WeakPolarHBondContact O-CG 3.32Å; E68-K72 PolarHBondContact O-N 3.38Å; E68-K72 VanDerWaalsContact O-N 3.13Å; E68-K72 VanDerWaalsContact OE1-CE 3.28Å; E68-K72 WeakPolarHBondContact OE1-CE 3.41Å; E68-K72 IonicContact OE1-NZ 2.69Å; E68-K72 PolarHBondContact OE1-NZ 3.01Å; H69-K72 PolarHBondContact O-N 2.87Å; K72-T76 WeakPolarHBondContact O-CB 3.29Å; K72-T76 PolarHBondContact O-N 3.15Å; K72-T76 PolarHBondContact O-OG1 2.9Å |
| 73 | L | 98.7 | Very high | 98.5 | Very high | 101 Ų | 101 | 110 Ų | 110 | 53% | 0.529 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.2 | -40.4 | 177 | -177.6 | 64.1 | 0 | 0 | 0 | 111.5 | H69 V70 D71 T76 R77 | H69-L73 WeakPolarHBondContact O-CB 3.25Å; H69-L73 PolarHBondContact O-N 3.41Å; V70-L73 WeakPolarHBondContact O-CB 3.12Å; V70-L73 PolarHBondContact O-N 3.42Å; D71-L73 VanDerWaalsContact C-N 3.27Å; D71-L73 PolarHBondContact O-N 3.31Å; L73-T76 PolarHBondContact O-N 3.06Å; L73-R77 WeakPolarHBondContact O-CB 3.22Å; L73-R77 PolarHBondContact O-N 3.02Å |
| 74 | M | 98.3 | Very high | 98.5 | Very high | 122 Ų | 122 | 108.6 Ų | 108.6 | 60% | 0.601 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.4 | -43.3 | 174.9 | -71.4 | -169.2 | -176.4 | 0 | 0 | 111.6 | V70 D71 R77 S78 | V70-M74 HydrophobicContact CG1-CE 3.78Å; V70-M74 WeakPolarHBondContact O-CG 3.18Å; V70-M74 PolarHBondContact O-N 3.48Å; D71-M74 PolarHBondContact O-N 2.82Å; D71-M74 VanDerWaalsContact O-N 3.17Å; M74-R77 PolarHBondContact O-N 3.36Å; M74-S78 WeakPolarHBondContact O-CB 3.42Å; M74-S78 PolarHBondContact O-N 2.85Å |
| 75 | E | 98.6 | Very high | 98.5 | Very high | 126 Ų | 126 | 108.5 Ų | 108.5 | 59% | 0.589 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.9 | -47.7 | 174.7 | -173.4 | 179 | -176.5 | 0 | 0 | 111.2 | D71 R77 S78 L79 | D71-E75 PolarHBondContact O-N 3.3Å; E75-R77 VanDerWaalsContact C-N 3.35Å; E75-R77 PolarHBondContact O-N 3.48Å; E75-S78 WeakPolarHBondContact O-CB 3.38Å; E75-S78 PolarHBondContact O-N 2.88Å; E75-S78 VanDerWaalsContact O-N 3.13Å; E75-L79 HydrophobicContact CG-CD1 4.28Å; E75-L79 WeakPolarHBondContact O-CG 3.34Å; E75-L79 PolarHBondContact O-N 2.69Å |
| 76 | T | 98.6 | Very high | 98.5 | Very high | 67 Ų | 67 | 103.8 Ų | 103.8 | 41% | 0.411 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -56.5 | -48.4 | 176.7 | -58.5 | 0 | 0 | 0 | 0 | 111 | K72 L73 S78 L79 E80 | K72-T76 WeakPolarHBondContact O-CB 3.29Å; K72-T76 PolarHBondContact O-N 3.15Å; K72-T76 PolarHBondContact O-OG1 2.9Å; L73-T76 PolarHBondContact O-N 3.06Å; T76-S78 VanDerWaalsContact C-N 3.34Å; T76-S78 PolarHBondContact O-N 2.85Å; T76-L79 PolarHBondContact O-N 2.85Å; T76-E80 WeakPolarHBondContact O-CG 3.38Å; T76-E80 PolarHBondContact O-N 3.36Å |
| 77 | R | 98.6 | Very high | 98.6 | Very high | 186 Ų | 186 | 105.1 Ų | 105.1 | 70% | 0.702 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.7 | -38.8 | 177.1 | 178.3 | 175.1 | -81.4 | -158.6 | -3.7 | 112.4 | L73 M74 E75 L79 E80 L81 | L73-R77 WeakPolarHBondContact O-CB 3.22Å; L73-R77 PolarHBondContact O-N 3.02Å; M74-R77 PolarHBondContact O-N 3.36Å; E75-R77 VanDerWaalsContact C-N 3.35Å; E75-R77 PolarHBondContact O-N 3.48Å; R77-L79 VanDerWaalsContact C-N 3.34Å; R77-E80 PolarHBondContact O-N 3.46Å; R77-L81 WeakPolarHBondContact O-CB 3.36Å; R77-L81 PolarHBondContact O-N 3.29Å |
| 78 | S | 98.6 | Very high | 98.6 | Very high | 51 Ų | 51 | 104.6 Ų | 104.6 | 36% | 0.357 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 175.9 | -173.1 | 0 | 0 | 0 | 0 | 111.4 | M74 E75 T76 L81 K82 | M74-S78 WeakPolarHBondContact O-CB 3.42Å; M74-S78 PolarHBondContact O-N 2.85Å; E75-S78 WeakPolarHBondContact O-CB 3.38Å; E75-S78 PolarHBondContact O-N 2.88Å; E75-S78 VanDerWaalsContact O-N 3.13Å; T76-S78 VanDerWaalsContact C-N 3.34Å; T76-S78 PolarHBondContact O-N 2.85Å; S78-L81 PolarHBondContact O-N 2.91Å; S78-K82 WeakPolarHBondContact O-CG 3.37Å; S78-K82 PolarHBondContact O-N 3.38Å; S78-K82 VanDerWaalsContact O-N 3.07Å |
| 79 | L | 98.5 | Very high | 98.6 | Very high | 99 Ų | 99 | 104.3 Ų | 104.3 | 52% | 0.518 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.9 | -41.7 | 176.7 | -68.5 | 174 | 0 | 0 | 0 | 112.1 | E75 T76 R77 L81 K82 L83 | E75-L79 HydrophobicContact CG-CD1 4.28Å; E75-L79 WeakPolarHBondContact O-CG 3.34Å; E75-L79 PolarHBondContact O-N 2.69Å; T76-L79 PolarHBondContact O-N 2.85Å; R77-L79 VanDerWaalsContact C-N 3.34Å; L79-L81 PolarHBondContact O-N 3.25Å; L79-K82 PolarHBondContact O-N 2.87Å; L79-L83 WeakPolarHBondContact O-CB 3.49Å; L79-L83 PolarHBondContact O-N 2.76Å |
| 80 | E | 98.6 | Very high | 98.6 | Very high | 120 Ų | 120 | 105.3 Ų | 105.3 | 56% | 0.561 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.9 | -42.4 | 174.8 | -74.6 | 175.8 | 177.1 | 0 | 0 | 112.3 | T76 R77 L83 S84 | T76-E80 WeakPolarHBondContact O-CG 3.38Å; T76-E80 PolarHBondContact O-N 3.36Å; R77-E80 PolarHBondContact O-N 3.46Å; E80-L83 PolarHBondContact O-N 2.64Å; E80-S84 WeakPolarHBondContact O-CB 3.34Å; E80-S84 PolarHBondContact O-N 2.86Å |
| 81 | L | 98.7 | Very high | 98.6 | Very high | 122 Ų | 122 | 105.1 Ų | 105.1 | 64% | 0.639 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.8 | -49.2 | 176.1 | -174 | 76 | 0 | 0 | 0 | 111.1 | R77 S78 L79 L83 S84 E85 | R77-L81 WeakPolarHBondContact O-CB 3.36Å; R77-L81 PolarHBondContact O-N 3.29Å; S78-L81 PolarHBondContact O-N 2.91Å; L79-L81 PolarHBondContact O-N 3.25Å; L81-L83 VanDerWaalsContact C-N 3.29Å; L81-L83 PolarHBondContact O-N 3.01Å; L81-S84 WeakPolarHBondContact O-CB 3.43Å; L81-S84 PolarHBondContact O-N 3Å; L81-S84 VanDerWaalsContact O-N 3.14Å; L81-E85 PolarHBondContact O-N 2.99Å |
| 82 | K | 98.6 | Very high | 98.6 | Very high | 126 Ų | 126 | 104.9 Ų | 104.9 | 55% | 0.548 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.3 | -40.3 | 176.8 | -74 | 172.9 | -178.3 | 170.2 | 0 | 111.8 | S78 L79 E85 A86 | S78-K82 WeakPolarHBondContact O-CG 3.37Å; S78-K82 PolarHBondContact O-N 3.38Å; S78-K82 VanDerWaalsContact O-N 3.07Å; L79-K82 PolarHBondContact O-N 2.87Å; K82-E85 PolarHBondContact O-N 3.3Å; K82-A86 VanDerWaalsContact O-CB 3.3Å; K82-A86 WeakPolarHBondContact O-CB 3.46Å; K82-A86 PolarHBondContact O-N 2.79Å |
| 83 | L | 98.6 | Very high | 98.6 | Very high | 96 Ų | 96 | 103.6 Ų | 103.6 | 50% | 0.503 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 176.2 | 179.5 | 62.6 | 0 | 0 | 0 | 111.7 | L79 E80 L81 K87 | L79-L83 WeakPolarHBondContact O-CB 3.49Å; L79-L83 PolarHBondContact O-N 2.76Å; E80-L83 PolarHBondContact O-N 2.64Å; L81-L83 VanDerWaalsContact C-N 3.29Å; L81-L83 PolarHBondContact O-N 3.01Å; L83-K87 HydrophobicContact CG-CD 4.48Å; L83-K87 VanDerWaalsContact O-CG 3.31Å; L83-K87 WeakPolarHBondContact O-CG 3.44Å; L83-K87 PolarHBondContact O-N 3.27Å |
| 84 | S | 98.4 | Very high | 98.6 | Very high | 78 Ų | 78 | 103.1 Ų | 103.1 | 55% | 0.545 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.6 | -46.1 | 176.3 | -169.7 | 0 | 0 | 0 | 0 | 111.7 | E80 L81 K87 L88 | E80-S84 WeakPolarHBondContact O-CB 3.34Å; E80-S84 PolarHBondContact O-N 2.86Å; L81-S84 WeakPolarHBondContact O-CB 3.43Å; L81-S84 PolarHBondContact O-N 3Å; L81-S84 VanDerWaalsContact O-N 3.14Å; S84-K87 WeakPolarHBondContact O-CB 3.49Å; S84-K87 PolarHBondContact O-N 2.84Å; S84-L88 PolarHBondContact O-N 3.47Å |
| 85 | E | 98.7 | Very high | 98.6 | Very high | 113 Ų | 113 | 101.3 Ų | 101.3 | 53% | 0.528 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 176.6 | -173.9 | 178.1 | -175.8 | 0 | 0 | 111.8 | L81 K82 K87 L88 N89 | L81-E85 PolarHBondContact O-N 2.99Å; K82-E85 PolarHBondContact O-N 3.3Å; E85-K87 VanDerWaalsContact C-N 3.32Å; E85-K87 PolarHBondContact O-N 2.82Å; E85-L88 PolarHBondContact O-N 3.4Å; E85-N89 WeakPolarHBondContact O-CB 3.09Å; E85-N89 PolarHBondContact O-N 3.42Å; E85-N89 PolarHBondContact O-ND2 3.36Å |
| 86 | A | 98.7 | Very high | 98.6 | Very high | 57 Ų | 57 | 98.8 Ų | 98.8 | 47% | 0.471 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.3 | -38.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K82 K90 | K82-A86 VanDerWaalsContact O-CB 3.3Å; K82-A86 WeakPolarHBondContact O-CB 3.46Å; K82-A86 PolarHBondContact O-N 2.79Å; A86-K90 WeakPolarHBondContact O-CB 3.38Å; A86-K90 PolarHBondContact O-N 2.95Å |
| 87 | K | 98.7 | Very high | 98.6 | Very high | 133 Ų | 133 | 101.7 Ų | 101.7 | 58% | 0.578 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66 | -42.5 | 174.9 | -75.8 | 174.4 | -179.5 | 178 | 0 | 111.9 | L83 S84 E85 K90 A91 | L83-K87 HydrophobicContact CG-CD 4.48Å; L83-K87 VanDerWaalsContact O-CG 3.31Å; L83-K87 WeakPolarHBondContact O-CG 3.44Å; L83-K87 PolarHBondContact O-N 3.27Å; S84-K87 WeakPolarHBondContact O-CB 3.49Å; S84-K87 PolarHBondContact O-N 2.84Å; E85-K87 VanDerWaalsContact C-N 3.32Å; E85-K87 PolarHBondContact O-N 2.82Å; K87-K90 PolarHBondContact O-N 2.93Å; K87-A91 PolarHBondContact O-N 2.88Å |
| 88 | L | 98.7 | Very high | 98.6 | Very high | 118 Ų | 118 | 98.1 Ų | 98.1 | 62% | 0.618 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.2 | -47.8 | 176.5 | -179.7 | 62.1 | 0 | 0 | 0 | 111.3 | S84 E85 K90 A91 Q92 | S84-L88 PolarHBondContact O-N 3.47Å; E85-L88 PolarHBondContact O-N 3.4Å; L88-K90 VanDerWaalsContact C-N 3.31Å; L88-K90 PolarHBondContact O-N 3.28Å; L88-A91 PolarHBondContact O-N 3.2Å; L88-A91 VanDerWaalsContact O-N 3.14Å; L88-Q92 WeakPolarHBondContact O-CB 3.49Å; L88-Q92 PolarHBondContact O-N 2.87Å |
| 89 | N | 98.7 | Very high | 98.6 | Very high | 92 Ų | 92 | 101.2 Ų | 101.2 | 49% | 0.492 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.5 | -40.8 | 177.1 | -73.8 | -23.5 | 0 | 0 | 0 | 111.9 | E85 Q92 C93 | E85-N89 WeakPolarHBondContact O-CB 3.09Å; E85-N89 PolarHBondContact O-N 3.42Å; E85-N89 PolarHBondContact O-ND2 3.36Å; N89-Q92 PolarHBondContact O-N 2.95Å; N89-C93 WeakPolarHBondContact O-CB 3.31Å; N89-C93 PolarHBondContact O-N 2.82Å |
| 90 | K | 98.7 | Very high | 98.6 | Very high | 144 Ų | 144 | 98.7 Ų | 98.7 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.9 | -46.7 | 173.5 | -178.9 | -180 | 178.1 | 179.4 | 0 | 111.7 | A86 K87 L88 Q92 C93 L94 | A86-K90 WeakPolarHBondContact O-CB 3.38Å; A86-K90 PolarHBondContact O-N 2.95Å; K87-K90 PolarHBondContact O-N 2.93Å; L88-K90 VanDerWaalsContact C-N 3.31Å; L88-K90 PolarHBondContact O-N 3.28Å; K90-Q92 VanDerWaalsContact C-N 3.34Å; K90-Q92 PolarHBondContact O-N 3.46Å; K90-C93 PolarHBondContact O-N 3.47Å; K90-L94 HydrophobicContact CG-CD1 4.25Å; K90-L94 WeakPolarHBondContact O-CG 3.47Å; K90-L94 PolarHBondContact O-N 3.35Å; K90-L94 VanDerWaalsContact O-N 3.07Å |
| 91 | A | 98.6 | Very high | 98.6 | Very high | 56 Ų | 56 | 99.4 Ų | 99.4 | 46% | 0.463 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K87 L88 L94 L95 | K87-A91 PolarHBondContact O-N 2.88Å; L88-A91 PolarHBondContact O-N 3.2Å; L88-A91 VanDerWaalsContact O-N 3.14Å; A91-L94 PolarHBondContact O-N 3.38Å; A91-L95 WeakPolarHBondContact O-CB 3.27Å; A91-L95 PolarHBondContact O-N 3.15Å |
| 92 | Q | 98.7 | Very high | 98.6 | Very high | 88 Ų | 88 | 96.3 Ų | 96.3 | 41% | 0.411 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63 | -46.4 | 176.7 | -175.4 | 58.5 | 42.3 | 0 | 0 | 111.8 | L88 N89 K90 L94 L95 D96 | L88-Q92 WeakPolarHBondContact O-CB 3.49Å; L88-Q92 PolarHBondContact O-N 2.87Å; N89-Q92 PolarHBondContact O-N 2.95Å; K90-Q92 VanDerWaalsContact C-N 3.34Å; K90-Q92 PolarHBondContact O-N 3.46Å; Q92-L94 VanDerWaalsContact C-N 3.34Å; Q92-L94 PolarHBondContact O-N 3.37Å; Q92-L95 WeakPolarHBondContact O-CB 3.33Å; Q92-L95 PolarHBondContact O-N 2.92Å; Q92-D96 VanDerWaalsContact NE2-CG 3.29Å; Q92-D96 PolarHBondContact NE2-OD1 2.82Å; Q92-D96 VanDerWaalsContact NE2-OD1 3.07Å; Q92-D96 PolarHBondContact NE2-OD2 2.95Å; Q92-D96 PolarHBondContact O-N 3.03Å |
| 93 | C | 98.7 | Very high | 98.6 | Very high | 80 Ų | 80 | 96.3 Ų | 96.3 | 54% | 0.541 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 177.7 | -178.3 | 0 | 0 | 0 | 0 | 112.3 | N89 K90 D96 Q97 | N89-C93 WeakPolarHBondContact O-CB 3.31Å; N89-C93 PolarHBondContact O-N 2.82Å; K90-C93 PolarHBondContact O-N 3.47Å; C93-D96 PolarHBondContact O-N 3.01Å; C93-Q97 WeakPolarHBondContact O-CB 3.42Å; C93-Q97 PolarHBondContact O-N 3.19Å |
| 94 | L | 98.6 | Very high | 98.5 | Very high | 92 Ų | 92 | 98.3 Ų | 98.3 | 48% | 0.482 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.8 | -40.1 | 176.3 | -70.5 | 172.6 | 0 | 0 | 0 | 112.2 | K90 A91 Q92 Q97 E98 | K90-L94 HydrophobicContact CG-CD1 4.25Å; K90-L94 WeakPolarHBondContact O-CG 3.47Å; K90-L94 PolarHBondContact O-N 3.35Å; K90-L94 VanDerWaalsContact O-N 3.07Å; A91-L94 PolarHBondContact O-N 3.38Å; Q92-L94 VanDerWaalsContact C-N 3.34Å; Q92-L94 PolarHBondContact O-N 3.37Å; L94-Q97 PolarHBondContact O-N 3.46Å; L94-E98 PolarHBondContact O-N 2.91Å |
| 95 | L | 98.5 | Very high | 98.5 | Very high | 83 Ų | 83 | 101.5 Ų | 101.5 | 44% | 0.435 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.9 | -45 | 176.2 | 178 | 62.4 | 0 | 0 | 0 | 111.5 | A91 Q92 E98 K99 | A91-L95 WeakPolarHBondContact O-CB 3.27Å; A91-L95 PolarHBondContact O-N 3.15Å; Q92-L95 WeakPolarHBondContact O-CB 3.33Å; Q92-L95 PolarHBondContact O-N 2.92Å; L95-E98 PolarHBondContact O-N 2.85Å; L95-K99 HydrophobicContact CG-CD 4.35Å; L95-K99 WeakPolarHBondContact O-CB 3.29Å; L95-K99 WeakPolarHBondContact O-CG 3.33Å; L95-K99 PolarHBondContact O-N 3.43Å |
| 96 | D | 98.5 | Very high | 98.5 | Very high | 74 Ų | 74 | 100.1 Ų | 100.1 | 40% | 0.396 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.3 | -37.2 | 179.8 | -67.2 | -26.7 | 0 | 0 | 0 | 111.5 | Q92 C93 K99 A100 | Q92-D96 VanDerWaalsContact NE2-CG 3.29Å; Q92-D96 PolarHBondContact NE2-OD1 2.82Å; Q92-D96 VanDerWaalsContact NE2-OD1 3.07Å; Q92-D96 PolarHBondContact NE2-OD2 2.95Å; Q92-D96 PolarHBondContact O-N 3.03Å; C93-D96 PolarHBondContact O-N 3.01Å; D96-K99 PolarHBondContact O-N 3.1Å; D96-A100 WeakPolarHBondContact O-CB 3.48Å; D96-A100 PolarHBondContact O-N 3.15Å |
| 97 | Q | 98.5 | Very high | 98.5 | Very high | 127 Ų | 127 | 102.1 Ų | 102.1 | 59% | 0.593 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61 | -46.3 | 172.4 | -175.4 | -178.7 | 18.9 | 0 | 0 | 112 | C93 L94 A100 K101 | C93-Q97 WeakPolarHBondContact O-CB 3.42Å; C93-Q97 PolarHBondContact O-N 3.19Å; L94-Q97 PolarHBondContact O-N 3.46Å; Q97-A100 PolarHBondContact O-N 2.91Å; Q97-K101 WeakPolarHBondContact O-CB 3.44Å; Q97-K101 PolarHBondContact O-N 3.31Å |
| 98 | E | 98.5 | Very high | 98.5 | Very high | 112 Ų | 112 | 98.5 Ų | 98.5 | 52% | 0.523 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.7 | -38.9 | 179.4 | -174.3 | 56.9 | -151.5 | 0 | 0 | 111.7 | L94 L95 K101 S102 | L94-E98 PolarHBondContact O-N 2.91Å; L95-E98 PolarHBondContact O-N 2.85Å; E98-K101 PolarHBondContact O-N 2.92Å; E98-S102 VanDerWaalsContact O-CB 3.3Å; E98-S102 WeakPolarHBondContact O-CB 3.43Å; E98-S102 PolarHBondContact O-N 2.85Å |
| 99 | K | 98.6 | Very high | 98.5 | Very high | 116 Ų | 116 | 97.7 Ų | 97.7 | 50% | 0.504 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.6 | -46.6 | 172.7 | -76.8 | 175.8 | -179.2 | 172.5 | 0 | 111.8 | L95 D96 K101 S102 Q103 | L95-K99 HydrophobicContact CG-CD 4.35Å; L95-K99 WeakPolarHBondContact O-CB 3.29Å; L95-K99 WeakPolarHBondContact O-CG 3.33Å; L95-K99 PolarHBondContact O-N 3.43Å; D96-K99 PolarHBondContact O-N 3.1Å; K99-K101 VanDerWaalsContact C-N 3.34Å; K99-K101 PolarHBondContact O-N 3.09Å; K99-S102 PolarHBondContact O-N 2.91Å; K99-Q103 WeakPolarHBondContact O-CB 3.39Å; K99-Q103 PolarHBondContact O-N 3.17Å |
| 100 | A | 98.4 | Very high | 98.5 | Very high | 46 Ų | 46 | 98.9 Ų | 98.9 | 38% | 0.38 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | D96 Q97 Q103 Q104 | D96-A100 WeakPolarHBondContact O-CB 3.48Å; D96-A100 PolarHBondContact O-N 3.15Å; Q97-A100 PolarHBondContact O-N 2.91Å; A100-Q103 PolarHBondContact O-N 2.72Å; A100-Q104 WeakPolarHBondContact O-CB 3.25Å; A100-Q104 WeakPolarHBondContact O-CG 3.47Å; A100-Q104 PolarHBondContact O-N 2.92Å |
| 101 | K | 98.5 | Very high | 98.5 | Very high | 134 Ų | 134 | 99 Ų | 99 | 58% | 0.583 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.4 | -44.1 | 176.4 | -173.6 | -177.7 | 179.7 | -174.2 | 0 | 112.3 | Q97 E98 K99 Q104 K105 | Q97-K101 WeakPolarHBondContact O-CB 3.44Å; Q97-K101 PolarHBondContact O-N 3.31Å; E98-K101 PolarHBondContact O-N 2.92Å; K99-K101 VanDerWaalsContact C-N 3.34Å; K99-K101 PolarHBondContact O-N 3.09Å; K101-Q104 PolarHBondContact O-N 2.91Å; K101-K105 PolarHBondContact O-N 3.25Å |
| 102 | S | 98.3 | Very high | 98.5 | Very high | 57 Ų | 57 | 100.8 Ų | 100.8 | 40% | 0.399 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 176.3 | -176.4 | 0 | 0 | 0 | 0 | 111.3 | E98 K99 Q104 K105 I106 | E98-S102 VanDerWaalsContact O-CB 3.3Å; E98-S102 WeakPolarHBondContact O-CB 3.43Å; E98-S102 PolarHBondContact O-N 2.85Å; K99-S102 PolarHBondContact O-N 2.91Å; S102-Q104 PolarHBondContact O-N 3.49Å; S102-K105 WeakPolarHBondContact O-CB 3.5Å; S102-K105 PolarHBondContact O-N 2.95Å; S102-I106 WeakPolarHBondContact O-CG1 3.39Å; S102-I106 PolarHBondContact O-N 3.06Å |
| 103 | Q | 98.5 | Very high | 98.5 | Very high | 126 Ų | 126 | 101.2 Ų | 101.2 | 59% | 0.589 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.8 | -42.9 | 177.2 | -172.1 | 174.9 | 12.8 | 0 | 0 | 112.2 | K99 A100 K105 I106 L107 | K99-Q103 WeakPolarHBondContact O-CB 3.39Å; K99-Q103 PolarHBondContact O-N 3.17Å; A100-Q103 PolarHBondContact O-N 2.72Å; Q103-K105 VanDerWaalsContact C-N 3.32Å; Q103-K105 PolarHBondContact O-N 3.47Å; Q103-I106 PolarHBondContact O-N 3.3Å; Q103-L107 HydrophobicContact CG-CD1 4.5Å; Q103-L107 WeakPolarHBondContact O-CG 3.48Å; Q103-L107 PolarHBondContact O-N 2.83Å |
| 104 | Q | 98.3 | Very high | 98.5 | Very high | 139 Ų | 139 | 105 Ų | 105 | 65% | 0.65 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.7 | -42.5 | 173.8 | -77.2 | -178.7 | -9.7 | 0 | 0 | 112 | A100 K101 S102 I106 L107 A108 | A100-Q104 WeakPolarHBondContact O-CB 3.25Å; A100-Q104 WeakPolarHBondContact O-CG 3.47Å; A100-Q104 PolarHBondContact O-N 2.92Å; K101-Q104 PolarHBondContact O-N 2.91Å; S102-Q104 PolarHBondContact O-N 3.49Å; Q104-I106 PolarHBondContact O-N 3.44Å; Q104-L107 PolarHBondContact O-N 3.41Å; Q104-A108 WeakPolarHBondContact O-CB 3.48Å; Q104-A108 PolarHBondContact O-N 3.3Å |
| 105 | K | 98.4 | Very high | 98.5 | Very high | 145 Ų | 145 | 107 Ų | 107 | 63% | 0.63 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.5 | -40.7 | 176.9 | -175.7 | 176.5 | 179.3 | -179.6 | 0 | 112 | K101 S102 Q103 A108 L109 | K101-K105 PolarHBondContact O-N 3.25Å; S102-K105 WeakPolarHBondContact O-CB 3.5Å; S102-K105 PolarHBondContact O-N 2.95Å; Q103-K105 VanDerWaalsContact C-N 3.32Å; Q103-K105 PolarHBondContact O-N 3.47Å; K105-A108 PolarHBondContact O-N 3.41Å; K105-L109 HydrophobicContact CG-CD1 4.23Å; K105-L109 VanDerWaalsContact O-CG 3.31Å; K105-L109 WeakPolarHBondContact O-CG 3.28Å; K105-L109 PolarHBondContact O-N 3.25Å |
| 106 | I | 98.5 | Very high | 98.5 | Very high | 84 Ų | 84 | 106.1 Ų | 106.1 | 43% | 0.431 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.7 | -50.2 | 176.3 | -69.9 | 166.6 | 0 | 0 | 0 | 110.1 | S102 Q103 Q104 A108 L109 E110 | S102-I106 WeakPolarHBondContact O-CG1 3.39Å; S102-I106 PolarHBondContact O-N 3.06Å; Q103-I106 PolarHBondContact O-N 3.3Å; Q104-I106 PolarHBondContact O-N 3.44Å; I106-A108 VanDerWaalsContact C-N 3.33Å; I106-A108 PolarHBondContact O-N 3.44Å; I106-L109 PolarHBondContact O-N 3.44Å; I106-L109 VanDerWaalsContact O-N 3.14Å; I106-E110 HydrophobicContact CG2-CG 4.31Å; I106-E110 WeakPolarHBondContact O-CG 3.47Å; I106-E110 PolarHBondContact O-N 3.42Å |
| 107 | L | 98.3 | Very high | 98.5 | Very high | 98 Ų | 98 | 110.2 Ų | 110.2 | 51% | 0.513 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.5 | -42.3 | 179.4 | -69.5 | 173.6 | 0 | 0 | 0 | 112.3 | Q103 Q104 L109 E110 E111 | Q103-L107 HydrophobicContact CG-CD1 4.5Å; Q103-L107 WeakPolarHBondContact O-CG 3.48Å; Q103-L107 PolarHBondContact O-N 2.83Å; Q104-L107 PolarHBondContact O-N 3.41Å; L107-L109 PolarHBondContact O-N 3.44Å; L107-E110 PolarHBondContact O-N 2.93Å; L107-E111 PolarHBondContact O-N 3.41Å |
| 108 | A | 98.4 | Very high | 98.5 | Very high | 57 Ų | 57 | 108.9 Ų | 108.9 | 47% | 0.471 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.8 | -40.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q104 K105 I106 E111 E112 | Q104-A108 WeakPolarHBondContact O-CB 3.48Å; Q104-A108 PolarHBondContact O-N 3.3Å; K105-A108 PolarHBondContact O-N 3.41Å; I106-A108 VanDerWaalsContact C-N 3.33Å; I106-A108 PolarHBondContact O-N 3.44Å; A108-E111 PolarHBondContact O-N 2.87Å; A108-E112 PolarHBondContact O-N 3Å; A108-E112 VanDerWaalsContact O-N 3.08Å |
| 109 | L | 98.5 | Very high | 98.5 | Very high | 101 Ų | 101 | 110.3 Ų | 110.3 | 53% | 0.529 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.2 | -38.7 | 175.8 | -72.1 | 172 | 0 | 0 | 0 | 112.1 | K105 I106 L107 E111 E112 V113 | K105-L109 HydrophobicContact CG-CD1 4.23Å; K105-L109 VanDerWaalsContact O-CG 3.31Å; K105-L109 WeakPolarHBondContact O-CG 3.28Å; K105-L109 PolarHBondContact O-N 3.25Å; I106-L109 PolarHBondContact O-N 3.44Å; I106-L109 VanDerWaalsContact O-N 3.14Å; L107-L109 PolarHBondContact O-N 3.44Å; L109-E111 VanDerWaalsContact C-N 3.33Å; L109-E112 PolarHBondContact O-N 3.43Å; L109-V113 WeakPolarHBondContact O-CB 3.36Å; L109-V113 VanDerWaalsContact O-CG2 3.23Å; L109-V113 WeakPolarHBondContact O-CG2 3.47Å; L109-V113 PolarHBondContact O-N 2.93Å |
| 110 | E | 98.6 | Very high | 98.5 | Very high | 117 Ų | 117 | 110.2 Ų | 110.2 | 55% | 0.547 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.9 | -40.5 | 175.9 | -74.2 | 178 | 168.1 | 0 | 0 | 111.8 | I106 L107 K114 | I106-E110 HydrophobicContact CG2-CG 4.31Å; I106-E110 WeakPolarHBondContact O-CG 3.47Å; I106-E110 PolarHBondContact O-N 3.42Å; L107-E110 PolarHBondContact O-N 2.93Å; E110-K114 WeakPolarHBondContact O-CB 3.19Å; E110-K114 PolarHBondContact O-N 3.19Å |
| 111 | E | 98.4 | Very high | 98.5 | Very high | 146 Ų | 146 | 112.9 Ų | 112.9 | 68% | 0.682 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.6 | -46.5 | 174.9 | -174.3 | 170.1 | -161.8 | 0 | 0 | 111.8 | L107 A108 L109 V113 K114 Y115 | L107-E111 PolarHBondContact O-N 3.41Å; A108-E111 PolarHBondContact O-N 2.87Å; L109-E111 VanDerWaalsContact C-N 3.33Å; E111-V113 PolarHBondContact O-N 3.22Å; E111-K114 WeakPolarHBondContact O-CB 3.47Å; E111-K114 PolarHBondContact O-N 2.98Å; E111-Y115 WeakPolarHBondContact O-CB 3.49Å; E111-Y115 PolarHBondContact O-N 3.23Å |
| 112 | E | 98.4 | Very high | 98.5 | Very high | 95 Ų | 95 | 111 Ų | 111 | 44% | 0.444 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 176.6 | -176.6 | 58.9 | -150.4 | 0 | 0 | 111.6 | A108 L109 K114 Y115 L116 | A108-E112 PolarHBondContact O-N 3Å; A108-E112 VanDerWaalsContact O-N 3.08Å; L109-E112 PolarHBondContact O-N 3.43Å; E112-K114 VanDerWaalsContact C-N 3.31Å; E112-K114 PolarHBondContact O-N 3.47Å; E112-Y115 WeakPolarHBondContact O-CB 3.4Å; E112-Y115 PolarHBondContact O-N 2.86Å; E112-L116 HydrophobicContact CG-CD1 4.07Å; E112-L116 HydrophobicContact CG-CG 4.39Å; E112-L116 WeakPolarHBondContact O-CB 3.3Å; E112-L116 VanDerWaalsContact O-CG 3.3Å; E112-L116 WeakPolarHBondContact O-CG 3.46Å; E112-L116 PolarHBondContact O-N 3.4Å; E112-L116 WeakPolarHBondContact OE1-CG 3.45Å |
| 113 | V | 98.6 | Very high | 98.5 | Very high | 96 Ų | 96 | 112.8 Ų | 112.8 | 58% | 0.582 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.9 | -41.8 | 176.2 | 167.6 | 0 | 0 | 0 | 0 | 110.9 | L109 E111 K117 | L109-V113 WeakPolarHBondContact O-CB 3.36Å; L109-V113 VanDerWaalsContact O-CG2 3.23Å; L109-V113 WeakPolarHBondContact O-CG2 3.47Å; L109-V113 PolarHBondContact O-N 2.93Å; E111-V113 PolarHBondContact O-N 3.22Å; V113-K117 VanDerWaalsContact O-CB 3.26Å; V113-K117 WeakPolarHBondContact O-CB 3.44Å; V113-K117 PolarHBondContact O-N 3.37Å |
| 114 | K | 98.6 | Very high | 98.5 | Very high | 160 Ų | 160 | 111.5 Ų | 111.5 | 70% | 0.696 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.6 | -43.8 | 176.4 | -176.9 | -175.7 | 177.6 | -172.8 | 0 | 111.4 | E110 E111 E112 K117 N118 | E110-K114 WeakPolarHBondContact O-CB 3.19Å; E110-K114 PolarHBondContact O-N 3.19Å; E111-K114 WeakPolarHBondContact O-CB 3.47Å; E111-K114 PolarHBondContact O-N 2.98Å; E112-K114 VanDerWaalsContact C-N 3.31Å; E112-K114 PolarHBondContact O-N 3.47Å; K114-K117 PolarHBondContact O-N 2.74Å; K114-N118 PolarHBondContact O-N 3.32Å; K114-N118 VanDerWaalsContact O-N 3.07Å |
| 115 | Y | 98.4 | Very high | 98.5 | Very high | 133 Ų | 133 | 107.8 Ų | 107.8 | 52% | 0.522 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.6 | -51.3 | 176.1 | 169.9 | -107.3 | 0 | 0 | 0 | 111.6 | E111 E112 K117 N118 R119 | E111-Y115 WeakPolarHBondContact O-CB 3.49Å; E111-Y115 PolarHBondContact O-N 3.23Å; E112-Y115 WeakPolarHBondContact O-CB 3.4Å; E112-Y115 PolarHBondContact O-N 2.86Å; Y115-K117 VanDerWaalsContact C-N 3.31Å; Y115-K117 PolarHBondContact O-N 2.92Å; Y115-N118 PolarHBondContact O-N 2.94Å; Y115-R119 PolarHBondContact O-N 3.42Å |
| 116 | L | 98.6 | Very high | 98.5 | Very high | 65 Ų | 65 | 104.6 Ų | 104.6 | 34% | 0.34 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.1 | -39.1 | 178.9 | -69.6 | 175.2 | 0 | 0 | 0 | 112.4 | E112 R119 L120 | E112-L116 HydrophobicContact CG-CD1 4.07Å; E112-L116 HydrophobicContact CG-CG 4.39Å; E112-L116 WeakPolarHBondContact O-CB 3.3Å; E112-L116 VanDerWaalsContact O-CG 3.3Å; E112-L116 WeakPolarHBondContact O-CG 3.46Å; E112-L116 PolarHBondContact O-N 3.4Å; E112-L116 WeakPolarHBondContact OE1-CG 3.45Å; L116-R119 PolarHBondContact O-N 3.31Å; L116-L120 WeakPolarHBondContact O-CB 3.26Å; L116-L120 PolarHBondContact O-N 2.83Å |
| 117 | K | 98.7 | Very high | 98.5 | Very high | 160 Ų | 160 | 104.6 Ų | 104.6 | 70% | 0.696 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.1 | -43.8 | 176 | -174.6 | 177.1 | -178.9 | 178.5 | 0 | 111.9 | V113 K114 Y115 L120 E121 | V113-K117 VanDerWaalsContact O-CB 3.26Å; V113-K117 WeakPolarHBondContact O-CB 3.44Å; V113-K117 PolarHBondContact O-N 3.37Å; K114-K117 PolarHBondContact O-N 2.74Å; Y115-K117 VanDerWaalsContact C-N 3.31Å; Y115-K117 PolarHBondContact O-N 2.92Å; K117-L120 PolarHBondContact O-N 2.95Å; K117-E121 PolarHBondContact O-N 3.27Å; K117-E121 VanDerWaalsContact O-N 3.13Å |
| 118 | N | 98.6 | Very high | 98.5 | Very high | 100 Ų | 100 | 103.6 Ų | 103.6 | 54% | 0.535 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 176 | -177.4 | -70.6 | 0 | 0 | 0 | 111.1 | K114 Y115 L120 E121 I122 | K114-N118 PolarHBondContact O-N 3.32Å; K114-N118 VanDerWaalsContact O-N 3.07Å; Y115-N118 PolarHBondContact O-N 2.94Å; N118-L120 VanDerWaalsContact C-N 3.31Å; N118-L120 PolarHBondContact O-N 2.95Å; N118-E121 PolarHBondContact O-N 3.27Å; N118-I122 WeakPolarHBondContact O-CG1 3.33Å; N118-I122 PolarHBondContact O-N 3.44Å; N118-I122 WeakPolarHBondContact OD1-CD1 3.23Å |
| 119 | R | 98.6 | Very high | 98.5 | Very high | 141 Ų | 141 | 107.2 Ų | 107.2 | 53% | 0.532 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.7 | -41.3 | 177.3 | -168.8 | -179 | 69.1 | 178.2 | 1.6 | 112.4 | Y115 L116 I122 Q123 | Y115-R119 PolarHBondContact O-N 3.42Å; L116-R119 PolarHBondContact O-N 3.31Å; R119-I122 PolarHBondContact O-N 2.92Å; R119-Q123 WeakPolarHBondContact O-CB 3.4Å; R119-Q123 PolarHBondContact O-N 3.48Å |
| 120 | L | 98.5 | Very high | 98.5 | Very high | 114 Ų | 114 | 106.8 Ų | 106.8 | 60% | 0.597 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.2 | -41.8 | 177.3 | -170.4 | 155.4 | 0 | 0 | 0 | 111.6 | L116 K117 N118 Q123 K124 | L116-L120 WeakPolarHBondContact O-CB 3.26Å; L116-L120 PolarHBondContact O-N 2.83Å; K117-L120 PolarHBondContact O-N 2.95Å; N118-L120 VanDerWaalsContact C-N 3.31Å; N118-L120 PolarHBondContact O-N 2.95Å; L120-Q123 PolarHBondContact O-N 2.97Å; L120-K124 WeakPolarHBondContact O-CB 3.45Å; L120-K124 PolarHBondContact O-N 2.88Å |
| 121 | E | 98.6 | Very high | 98.5 | Very high | 102 Ų | 102 | 106.4 Ų | 106.4 | 48% | 0.477 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.4 | -39.6 | 178.5 | -168.3 | 59.9 | -146.5 | 0 | 0 | 112.3 | K117 N118 K124 T125 | K117-E121 PolarHBondContact O-N 3.27Å; K117-E121 VanDerWaalsContact O-N 3.13Å; N118-E121 PolarHBondContact O-N 3.27Å; E121-K124 PolarHBondContact O-N 2.97Å; E121-T125 PolarHBondContact O-N 2.91Å; E121-T125 PolarHBondContact O-OG1 3.37Å |
| 122 | I | 98.4 | Very high | 98.5 | Very high | 95 Ų | 95 | 106.2 Ų | 106.2 | 49% | 0.487 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.3 | -48.7 | 173.2 | -67.1 | 171.2 | 0 | 0 | 0 | 110.1 | N118 R119 K124 T125 I126 | N118-I122 WeakPolarHBondContact O-CG1 3.33Å; N118-I122 PolarHBondContact O-N 3.44Å; N118-I122 WeakPolarHBondContact OD1-CD1 3.23Å; R119-I122 PolarHBondContact O-N 2.92Å; I122-K124 VanDerWaalsContact C-N 3.33Å; I122-K124 PolarHBondContact O-N 3.32Å; I122-T125 WeakPolarHBondContact O-CB 3.39Å; I122-T125 PolarHBondContact O-N 3.03Å; I122-I126 HydrophobicContact CG2-CD1 3.98Å; I122-I126 WeakPolarHBondContact O-CG1 3.36Å; I122-I126 PolarHBondContact O-N 3.3Å |
| 123 | Q | 98.6 | Very high | 98.5 | Very high | 95 Ų | 95 | 106.8 Ų | 106.8 | 44% | 0.444 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.6 | -42.7 | 179.2 | 179.6 | 58.9 | 23.2 | 0 | 0 | 111.8 | R119 L120 T125 I126 E127 | R119-Q123 WeakPolarHBondContact O-CB 3.4Å; R119-Q123 PolarHBondContact O-N 3.48Å; L120-Q123 PolarHBondContact O-N 2.97Å; Q123-T125 VanDerWaalsContact C-N 3.35Å; Q123-T125 PolarHBondContact O-N 3.07Å; Q123-I126 WeakPolarHBondContact O-CB 3.31Å; Q123-I126 PolarHBondContact O-N 3.43Å; Q123-E127 PolarHBondContact NE2-OE1 2.9Å; Q123-E127 WeakPolarHBondContact O-CG 3.5Å; Q123-E127 PolarHBondContact O-N 2.97Å |
| 124 | K | 98.7 | Very high | 98.5 | Very high | 99 Ų | 99 | 107.7 Ų | 107.7 | 43% | 0.43 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.3 | -44.3 | 175.9 | -176.6 | -175.9 | 173.7 | -165.4 | 0 | 111.8 | L120 E121 I122 I126 E127 D128 | L120-K124 WeakPolarHBondContact O-CB 3.45Å; L120-K124 PolarHBondContact O-N 2.88Å; E121-K124 PolarHBondContact O-N 2.97Å; I122-K124 VanDerWaalsContact C-N 3.33Å; I122-K124 PolarHBondContact O-N 3.32Å; K124-I126 VanDerWaalsContact C-N 3.3Å; K124-I126 PolarHBondContact O-N 2.93Å; K124-E127 PolarHBondContact O-N 3.12Å; K124-D128 WeakPolarHBondContact O-CB 3.4Å; K124-D128 PolarHBondContact O-N 3.24Å |
| 125 | T | 98.4 | Very high | 98.5 | Very high | 60 Ų | 60 | 103.5 Ų | 103.5 | 37% | 0.368 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61 | -39.9 | 176.1 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | E121 I122 Q123 K129 | E121-T125 PolarHBondContact O-N 2.91Å; E121-T125 PolarHBondContact O-OG1 3.37Å; I122-T125 WeakPolarHBondContact O-CB 3.39Å; I122-T125 PolarHBondContact O-N 3.03Å; Q123-T125 VanDerWaalsContact C-N 3.35Å; Q123-T125 PolarHBondContact O-N 3.07Å; T125-K129 HydrophobicContact CG2-CD 4.45Å; T125-K129 WeakPolarHBondContact O-CG 3.38Å; T125-K129 PolarHBondContact O-N 3.24Å; T125-K129 VanDerWaalsContact O-N 3.12Å |
| 126 | I | 98.3 | Very high | 98.5 | Very high | 78 Ų | 78 | 102.6 Ų | 102.6 | 40% | 0.4 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.3 | -47.7 | 175.6 | -67.5 | 166.9 | 0 | 0 | 0 | 110.2 | I122 Q123 K124 D128 K129 L130 | I122-I126 HydrophobicContact CG2-CD1 3.98Å; I122-I126 WeakPolarHBondContact O-CG1 3.36Å; I122-I126 PolarHBondContact O-N 3.3Å; Q123-I126 WeakPolarHBondContact O-CB 3.31Å; Q123-I126 PolarHBondContact O-N 3.43Å; K124-I126 VanDerWaalsContact C-N 3.3Å; K124-I126 PolarHBondContact O-N 2.93Å; I126-D128 VanDerWaalsContact C-N 3.35Å; I126-D128 PolarHBondContact O-N 3.01Å; I126-K129 PolarHBondContact O-N 3.2Å; I126-L130 HydrophobicContact CG2-CD1 3.9Å; I126-L130 VanDerWaalsContact O-CD1 3.25Å; I126-L130 WeakPolarHBondContact O-CD1 3.37Å; I126-L130 PolarHBondContact O-N 3.4Å |
| 127 | E | 98.5 | Very high | 98.5 | Very high | 84 Ų | 84 | 104.6 Ų | 104.6 | 39% | 0.393 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.2 | -42.4 | 178.1 | -75.7 | 179.8 | -162.1 | 0 | 0 | 112.9 | Q123 K124 L130 K131 | Q123-E127 PolarHBondContact NE2-OE1 2.9Å; Q123-E127 WeakPolarHBondContact O-CG 3.5Å; Q123-E127 PolarHBondContact O-N 2.97Å; K124-E127 PolarHBondContact O-N 3.12Å; E127-L130 PolarHBondContact O-N 3.21Å; E127-K131 VanDerWaalsContact O-CG 3.28Å; E127-K131 WeakPolarHBondContact O-CG 3.3Å; E127-K131 PolarHBondContact O-N 3.46Å |
| 128 | D | 98.6 | Very high | 98.5 | Very high | 77 Ų | 77 | 103.1 Ų | 103.1 | 41% | 0.412 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 179.2 | -70.7 | -17.4 | 0 | 0 | 0 | 111.1 | K124 I126 K131 E132 | K124-D128 WeakPolarHBondContact O-CB 3.4Å; K124-D128 PolarHBondContact O-N 3.24Å; I126-D128 VanDerWaalsContact C-N 3.35Å; I126-D128 PolarHBondContact O-N 3.01Å; D128-K131 PolarHBondContact O-N 2.9Å; D128-K131 IonicContact OD1-NZ 3.54Å; D128-K131 PolarHBondContact OD1-NZ 3Å; D128-E132 WeakPolarHBondContact O-CB 3.48Å; D128-E132 PolarHBondContact O-N 3.28Å |
| 129 | K | 98.4 | Very high | 98.5 | Very high | 133 Ų | 133 | 103.9 Ų | 103.9 | 58% | 0.578 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.4 | -39.9 | 172.1 | -73.4 | 177.3 | 178.7 | -176.8 | 0 | 112.8 | T125 I126 E132 Q133 | T125-K129 HydrophobicContact CG2-CD 4.45Å; T125-K129 WeakPolarHBondContact O-CG 3.38Å; T125-K129 PolarHBondContact O-N 3.24Å; T125-K129 VanDerWaalsContact O-N 3.12Å; I126-K129 PolarHBondContact O-N 3.2Å; K129-E132 PolarHBondContact O-N 3.41Å; K129-Q133 WeakPolarHBondContact O-CB 3.34Å; K129-Q133 PolarHBondContact O-N 3.23Å |
| 130 | L | 98.6 | Very high | 98.5 | Very high | 92 Ų | 92 | 102.7 Ų | 102.7 | 48% | 0.482 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 175.6 | -97.5 | 69.4 | 0 | 0 | 0 | 111.2 | I126 E127 Q133 I134 | I126-L130 HydrophobicContact CG2-CD1 3.9Å; I126-L130 VanDerWaalsContact O-CD1 3.25Å; I126-L130 WeakPolarHBondContact O-CD1 3.37Å; I126-L130 PolarHBondContact O-N 3.4Å; E127-L130 PolarHBondContact O-N 3.21Å; L130-Q133 PolarHBondContact O-N 2.99Å; L130-I134 VanDerWaalsContact O-CG1 3.29Å; L130-I134 WeakPolarHBondContact O-CG1 3.33Å; L130-I134 PolarHBondContact O-N 3.42Å |
| 131 | K | 98.6 | Very high | 98.5 | Very high | 110 Ų | 110 | 104.5 Ų | 104.5 | 48% | 0.478 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 175.6 | -71.7 | 167.7 | -165.3 | 157.9 | 0 | 111.3 | E127 D128 Q133 I134 V135 | E127-K131 VanDerWaalsContact O-CG 3.28Å; E127-K131 WeakPolarHBondContact O-CG 3.3Å; E127-K131 PolarHBondContact O-N 3.46Å; D128-K131 PolarHBondContact O-N 2.9Å; D128-K131 IonicContact OD1-NZ 3.54Å; D128-K131 PolarHBondContact OD1-NZ 3Å; K131-Q133 VanDerWaalsContact C-N 3.34Å; K131-Q133 PolarHBondContact O-N 3.06Å; K131-I134 PolarHBondContact O-N 3.17Å; K131-V135 WeakPolarHBondContact O-CG2 3.41Å; K131-V135 PolarHBondContact O-N 3.29Å |
| 132 | E | 98.6 | Very high | 98.5 | Very high | 141 Ų | 141 | 105.1 Ų | 105.1 | 66% | 0.659 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -58.4 | -46.4 | 175.2 | -175 | -179.4 | -176.7 | 0 | 0 | 111.2 | D128 K129 I134 V135 F136 | D128-E132 WeakPolarHBondContact O-CB 3.48Å; D128-E132 PolarHBondContact O-N 3.28Å; K129-E132 PolarHBondContact O-N 3.41Å; E132-I134 VanDerWaalsContact C-N 3.35Å; E132-I134 PolarHBondContact O-N 3.48Å; E132-V135 PolarHBondContact O-N 3.42Å; E132-F136 WeakPolarHBondContact O-CB 3.35Å; E132-F136 PolarHBondContact O-N 3.45Å |
| 133 | Q | 98.3 | Very high | 98.4 | Very high | 107 Ų | 107 | 103.6 Ų | 103.6 | 50% | 0.5 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 177.5 | -171.3 | 177.8 | 42.8 | 0 | 0 | 112.5 | K129 L130 K131 F136 Y137 | K129-Q133 WeakPolarHBondContact O-CB 3.34Å; K129-Q133 PolarHBondContact O-N 3.23Å; L130-Q133 PolarHBondContact O-N 2.99Å; K131-Q133 VanDerWaalsContact C-N 3.34Å; K131-Q133 PolarHBondContact O-N 3.06Å; Q133-F136 PolarHBondContact O-N 3.43Å; Q133-Y137 HydrophobicContact CG-CD2 3.82Å; Q133-Y137 HydrophobicContact CG-CE2 3.74Å; Q133-Y137 VanDerWaalsContact O-CD2 3.31Å; Q133-Y137 WeakPolarHBondContact O-CD2 3.36Å; Q133-Y137 PolarHBondContact O-N 2.85Å |
| 134 | I | 98.6 | Very high | 98.4 | Very high | 116 Ų | 116 | 105.2 Ų | 105.2 | 60% | 0.595 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.4 | -45.5 | 175.6 | -70.7 | 165.3 | 0 | 0 | 0 | 110.6 | L130 K131 E132 Y137 K138 | L130-I134 VanDerWaalsContact O-CG1 3.29Å; L130-I134 WeakPolarHBondContact O-CG1 3.33Å; L130-I134 PolarHBondContact O-N 3.42Å; K131-I134 PolarHBondContact O-N 3.17Å; E132-I134 VanDerWaalsContact C-N 3.35Å; E132-I134 PolarHBondContact O-N 3.48Å; I134-Y137 PolarHBondContact O-N 3.41Å; I134-K138 VanDerWaalsContact O-CB 3.27Å; I134-K138 WeakPolarHBondContact O-CB 3.48Å; I134-K138 PolarHBondContact O-N 3.19Å |
| 135 | V | 98.6 | Very high | 98.4 | Very high | 71 Ų | 71 | 105.3 Ų | 105.3 | 43% | 0.43 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62 | -47.1 | 177.2 | 171.2 | 0 | 0 | 0 | 0 | 110.5 | K131 E132 Y137 K138 E139 | K131-V135 WeakPolarHBondContact O-CG2 3.41Å; K131-V135 PolarHBondContact O-N 3.29Å; E132-V135 PolarHBondContact O-N 3.42Å; V135-Y137 PolarHBondContact O-N 3.39Å; V135-K138 WeakPolarHBondContact O-CB 3.35Å; V135-K138 PolarHBondContact O-N 3.07Å; V135-E139 HydrophobicContact CG1-CG 4.43Å; V135-E139 WeakPolarHBondContact O-CG 3.16Å; V135-E139 PolarHBondContact O-N 3.36Å |
| 136 | F | 98.5 | Very high | 98.3 | Very high | 114 Ų | 114 | 109.3 Ų | 109.3 | 50% | 0.5 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -54.9 | -50.5 | 177.2 | 171.9 | -99.7 | 0 | 0 | 0 | 112.3 | E132 Q133 E139 K140 | E132-F136 WeakPolarHBondContact O-CB 3.35Å; E132-F136 PolarHBondContact O-N 3.45Å; Q133-F136 PolarHBondContact O-N 3.43Å; F136-E139 PolarHBondContact O-N 2.98Å; F136-K140 HydrophobicContact CE1-CD 4.36Å; F136-K140 HydrophobicContact CZ-CD 4.46Å; F136-K140 WeakPolarHBondContact O-CB 3.49Å; F136-K140 PolarHBondContact O-N 3.13Å |
| 137 | Y | 98.4 | Very high | 98.3 | Very high | 107 Ų | 107 | 110 Ų | 110 | 42% | 0.42 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.5 | -38.7 | 178.8 | -82.3 | -66.4 | 0 | 0 | 0 | 112.1 | Q133 I134 V135 E139 K140 Y141 | Q133-Y137 HydrophobicContact CG-CD2 3.82Å; Q133-Y137 HydrophobicContact CG-CE2 3.74Å; Q133-Y137 VanDerWaalsContact O-CD2 3.31Å; Q133-Y137 WeakPolarHBondContact O-CD2 3.36Å; Q133-Y137 PolarHBondContact O-N 2.85Å; I134-Y137 PolarHBondContact O-N 3.41Å; V135-Y137 PolarHBondContact O-N 3.39Å; Y137-E139 VanDerWaalsContact C-N 3.34Å; Y137-E139 PolarHBondContact O-N 3.17Å; Y137-K140 HydrophobicContact CD1-CD 4.48Å; Y137-K140 PolarHBondContact O-N 3.36Å; Y137-Y141 WeakPolarHBondContact O-CB 3.49Å; Y137-Y141 WeakPolarHBondContact O-CD2 3.44Å; Y137-Y141 PolarHBondContact O-N 3.13Å |
| 138 | K | 98.6 | Very high | 98.3 | Very high | 130 Ų | 130 | 111.6 Ų | 111.6 | 57% | 0.565 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -57.1 | -47.4 | 175.2 | 179.6 | -177.2 | 177.3 | -175.8 | 0 | 111.4 | I134 V135 Y141 Q142 | I134-K138 VanDerWaalsContact O-CB 3.27Å; I134-K138 WeakPolarHBondContact O-CB 3.48Å; I134-K138 PolarHBondContact O-N 3.19Å; V135-K138 WeakPolarHBondContact O-CB 3.35Å; V135-K138 PolarHBondContact O-N 3.07Å; K138-Y141 PolarHBondContact O-N 2.96Å; K138-Q142 WeakPolarHBondContact O-CG 3.33Å; K138-Q142 PolarHBondContact O-N 3.5Å |
| 139 | E | 98.5 | Very high | 98.3 | Very high | 116 Ų | 116 | 110.6 Ų | 110.6 | 54% | 0.542 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 177 | -71.3 | 177.5 | -179.5 | 0 | 0 | 111.7 | V135 F136 Y137 Y141 Q142 S143 | V135-E139 HydrophobicContact CG1-CG 4.43Å; V135-E139 WeakPolarHBondContact O-CG 3.16Å; V135-E139 PolarHBondContact O-N 3.36Å; F136-E139 PolarHBondContact O-N 2.98Å; Y137-E139 VanDerWaalsContact C-N 3.34Å; Y137-E139 PolarHBondContact O-N 3.17Å; E139-Y141 PolarHBondContact O-N 3.42Å; E139-Q142 PolarHBondContact O-N 3.24Å; E139-S143 PolarHBondContact O-N 2.95Å |
| 140 | K | 98.1 | Very high | 98.2 | Very high | 116 Ų | 116 | 107.9 Ų | 107.9 | 50% | 0.504 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59 | -46 | 175.2 | -169.9 | 175.3 | -177.6 | 177 | 0 | 111.6 | F136 Y137 S143 F144 | F136-K140 HydrophobicContact CE1-CD 4.36Å; F136-K140 HydrophobicContact CZ-CD 4.46Å; F136-K140 WeakPolarHBondContact O-CB 3.49Å; F136-K140 PolarHBondContact O-N 3.13Å; Y137-K140 HydrophobicContact CD1-CD 4.48Å; Y137-K140 PolarHBondContact O-N 3.36Å; K140-S143 PolarHBondContact O-N 3.4Å; K140-S143 PolarHBondContact O-OG 2.94Å; K140-F144 WeakPolarHBondContact O-CB 3.49Å; K140-F144 PolarHBondContact O-N 3.16Å |
| 141 | Y | 98.3 | Very high | 98.2 | Very high | 152 Ų | 152 | 105.2 Ų | 105.2 | 60% | 0.596 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.3 | -40.5 | 175.8 | -83.6 | -68.2 | 0 | 0 | 0 | 112.5 | Y137 K138 E139 F144 N145 | Y137-Y141 WeakPolarHBondContact O-CB 3.49Å; Y137-Y141 WeakPolarHBondContact O-CD2 3.44Å; Y137-Y141 PolarHBondContact O-N 3.13Å; K138-Y141 PolarHBondContact O-N 2.96Å; E139-Y141 PolarHBondContact O-N 3.42Å; Y141-F144 PolarHBondContact O-N 2.88Å; Y141-N145 WeakPolarHBondContact O-CB 3.26Å; Y141-N145 VanDerWaalsContact O-CG 3.29Å; Y141-N145 PolarHBondContact O-N 3.07Å; Y141-N145 PolarHBondContact O-ND2 3.23Å |
| 142 | Q | 98.3 | Very high | 98.1 | Very high | 114 Ų | 114 | 108.3 Ų | 108.3 | 53% | 0.533 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 174.8 | -74.1 | 177.6 | -5.1 | 0 | 0 | 111.8 | K138 E139 N145 K146 | K138-Q142 WeakPolarHBondContact O-CG 3.33Å; K138-Q142 PolarHBondContact O-N 3.5Å; E139-Q142 PolarHBondContact O-N 3.24Å; Q142-N145 PolarHBondContact O-N 3.08Å; Q142-K146 WeakPolarHBondContact O-CB 3.42Å; Q142-K146 PolarHBondContact O-N 3.47Å |
| 143 | S | 97.8 | Very high | 98.1 | Very high | 64 Ų | 64 | 107.3 Ų | 107.3 | 45% | 0.448 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63 | -44.9 | 176.6 | 75.2 | 0 | 0 | 0 | 0 | 111.9 | E139 K140 N145 K146 T147 | E139-S143 PolarHBondContact O-N 2.95Å; K140-S143 PolarHBondContact O-N 3.4Å; K140-S143 PolarHBondContact O-OG 2.94Å; S143-N145 PolarHBondContact O-N 3.4Å; S143-K146 WeakPolarHBondContact O-CB 3.43Å; S143-K146 PolarHBondContact O-N 2.85Å; S143-T147 PolarHBondContact O-N 3.48Å; S143-T147 PolarHBondContact O-OG1 3.31Å |
| 144 | F | 97.8 | Very high | 98 | Very high | 128 Ų | 128 | 108.8 Ų | 108.8 | 56% | 0.561 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.7 | -47.1 | 176.6 | 176.8 | -100.1 | 0 | 0 | 0 | 111.6 | K140 Y141 K146 T147 M148 | K140-F144 WeakPolarHBondContact O-CB 3.49Å; K140-F144 PolarHBondContact O-N 3.16Å; Y141-F144 PolarHBondContact O-N 2.88Å; F144-K146 VanDerWaalsContact C-N 3.31Å; F144-K146 PolarHBondContact O-N 3.4Å; F144-T147 PolarHBondContact O-N 2.95Å; F144-M148 WeakPolarHBondContact O-CB 3.31Å; F144-M148 PolarHBondContact O-N 2.87Å |
| 145 | N | 97.9 | Very high | 98 | Very high | 101 Ų | 101 | 109.9 Ų | 109.9 | 54% | 0.54 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.8 | -38.4 | 177.6 | -77.1 | -19.2 | 0 | 0 | 0 | 112.2 | Y141 Q142 S143 M148 S149 | Y141-N145 WeakPolarHBondContact O-CB 3.26Å; Y141-N145 VanDerWaalsContact O-CG 3.29Å; Y141-N145 PolarHBondContact O-N 3.07Å; Y141-N145 PolarHBondContact O-ND2 3.23Å; Q142-N145 PolarHBondContact O-N 3.08Å; S143-N145 PolarHBondContact O-N 3.4Å; N145-M148 PolarHBondContact O-N 3.48Å; N145-S149 WeakPolarHBondContact O-CB 3.3Å; N145-S149 PolarHBondContact O-N 3.39Å |
| 146 | K | 98 | Very high | 98 | Very high | 144 Ų | 144 | 110.5 Ų | 110.5 | 63% | 0.626 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.4 | -52 | 174.1 | -176.1 | -179.4 | 177.4 | -176.7 | 0 | 110.9 | Q142 S143 F144 M148 S149 D150 | Q142-K146 WeakPolarHBondContact O-CB 3.42Å; Q142-K146 PolarHBondContact O-N 3.47Å; S143-K146 WeakPolarHBondContact O-CB 3.43Å; S143-K146 PolarHBondContact O-N 2.85Å; F144-K146 VanDerWaalsContact C-N 3.31Å; F144-K146 PolarHBondContact O-N 3.4Å; K146-M148 VanDerWaalsContact C-N 3.27Å; K146-M148 PolarHBondContact O-N 2.88Å; K146-S149 WeakPolarHBondContact O-CB 3.38Å; K146-S149 PolarHBondContact O-N 3.34Å; K146-D150 PolarHBondContact O-N 3.45Å |
| 147 | T | 98 | Very high | 98 | Very high | 94 Ų | 94 | 108.2 Ų | 108.2 | 58% | 0.577 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.1 | -39.5 | 177.4 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | S143 F144 D150 S151 | S143-T147 PolarHBondContact O-N 3.48Å; S143-T147 PolarHBondContact O-OG1 3.31Å; F144-T147 PolarHBondContact O-N 2.95Å; T147-D150 PolarHBondContact O-N 2.99Å; T147-S151 VanDerWaalsContact O-CB 3.22Å; T147-S151 WeakPolarHBondContact O-CB 3.49Å; T147-S151 PolarHBondContact O-N 2.89Å |
| 148 | M | 97.9 | Very high | 97.9 | Very high | 116 Ų | 116 | 105.4 Ų | 105.4 | 57% | 0.571 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -71.3 | -36.5 | 179.6 | -163 | 50.1 | 174.9 | 0 | 0 | 112.5 | F144 N145 K146 R152 | F144-M148 WeakPolarHBondContact O-CB 3.31Å; F144-M148 PolarHBondContact O-N 2.87Å; N145-M148 PolarHBondContact O-N 3.48Å; K146-M148 VanDerWaalsContact C-N 3.27Å; K146-M148 PolarHBondContact O-N 2.88Å; M148-R152 WeakPolarHBondContact O-CB 3.5Å; M148-R152 PolarHBondContact O-N 3.48Å |
| 149 | S | 97.7 | Very high | 97.9 | Very high | 57 Ų | 57 | 106.3 Ų | 106.3 | 40% | 0.399 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 171.5 | -172.3 | 0 | 0 | 0 | 0 | 111.8 | N145 K146 R152 K153 | N145-S149 WeakPolarHBondContact O-CB 3.3Å; N145-S149 PolarHBondContact O-N 3.39Å; K146-S149 WeakPolarHBondContact O-CB 3.38Å; K146-S149 PolarHBondContact O-N 3.34Å; S149-R152 PolarHBondContact O-N 3.5Å; S149-K153 WeakPolarHBondContact O-CG 3.43Å; S149-K153 PolarHBondContact O-N 3.39Å |
| 150 | D | 98 | Very high | 97.9 | Very high | 75 Ų | 75 | 105.3 Ų | 105.3 | 40% | 0.401 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.5 | -40.2 | 178.6 | -67.9 | -21.1 | 0 | 0 | 0 | 111.6 | K146 T147 K153 M154 | K146-D150 PolarHBondContact O-N 3.45Å; T147-D150 PolarHBondContact O-N 2.99Å; D150-K153 PolarHBondContact O-N 3.14Å; D150-K153 IonicContact OD1-NZ 3.42Å; D150-M154 WeakPolarHBondContact O-CB 3.44Å; D150-M154 PolarHBondContact O-N 3.5Å |
| 151 | S | 97.6 | Very high | 97.9 | Very high | 37 Ų | 37 | 106.5 Ų | 106.5 | 26% | 0.259 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62 | -44.2 | 173.5 | -178.2 | 0 | 0 | 0 | 0 | 111.6 | T147 K153 M154 F155 | T147-S151 VanDerWaalsContact O-CB 3.22Å; T147-S151 WeakPolarHBondContact O-CB 3.49Å; T147-S151 PolarHBondContact O-N 2.89Å; S151-K153 PolarHBondContact O-N 3.04Å; S151-M154 WeakPolarHBondContact O-CB 3.39Å; S151-M154 PolarHBondContact O-N 3.04Å; S151-M154 VanDerWaalsContact O-N 3.15Å; S151-F155 WeakPolarHBondContact O-CD2 3.46Å; S151-F155 PolarHBondContact O-N 3.44Å; S151-F155 VanDerWaalsContact OG-CE2 3.25Å; S151-F155 WeakPolarHBondContact OG-CE2 3.4Å |
| 152 | R | 96.9 | Very high | 97.8 | Very high | 175 Ų | 175 | 106 Ų | 106 | 66% | 0.66 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.9 | -46.2 | 175.1 | -175.8 | 174.4 | 179.5 | -134.5 | -2 | 112 | M148 S149 M154 F155 D156 | M148-R152 WeakPolarHBondContact O-CB 3.5Å; M148-R152 PolarHBondContact O-N 3.48Å; S149-R152 PolarHBondContact O-N 3.5Å; R152-M154 VanDerWaalsContact C-N 3.28Å; R152-M154 PolarHBondContact O-N 2.99Å; R152-F155 PolarHBondContact O-N 3.02Å; R152-D156 PolarHBondContact O-N 2.92Å |
| 153 | K | 97.7 | Very high | 97.8 | Very high | 119 Ų | 119 | 105.5 Ų | 105.5 | 52% | 0.517 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.6 | -39.8 | 174.7 | -69.8 | 171.2 | -172.2 | 168.3 | 0 | 112 | S149 D150 S151 D156 T157 | S149-K153 WeakPolarHBondContact O-CG 3.43Å; S149-K153 PolarHBondContact O-N 3.39Å; D150-K153 PolarHBondContact O-N 3.14Å; D150-K153 IonicContact OD1-NZ 3.42Å; S151-K153 PolarHBondContact O-N 3.04Å; K153-D156 PolarHBondContact O-N 3.48Å; K153-T157 WeakPolarHBondContact O-CB 3.39Å; K153-T157 PolarHBondContact O-N 3.27Å; K153-T157 PolarHBondContact O-OG1 3.37Å |
| 154 | M | 97.7 | Very high | 97.8 | Very high | 138 Ų | 138 | 108 Ų | 108 | 68% | 0.68 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.5 | -44.5 | 176.3 | 179.6 | -172.4 | 170.1 | 0 | 0 | 111.1 | D150 S151 R152 T157 A158 | D150-M154 WeakPolarHBondContact O-CB 3.44Å; D150-M154 PolarHBondContact O-N 3.5Å; S151-M154 WeakPolarHBondContact O-CB 3.39Å; S151-M154 PolarHBondContact O-N 3.04Å; S151-M154 VanDerWaalsContact O-N 3.15Å; R152-M154 VanDerWaalsContact C-N 3.28Å; R152-M154 PolarHBondContact O-N 2.99Å; M154-T157 PolarHBondContact O-N 3Å; M154-A158 WeakPolarHBondContact O-CB 3.45Å; M154-A158 PolarHBondContact O-N 3.4Å |
| 155 | F | 98.3 | Very high | 97.8 | Very high | 140 Ų | 140 | 106.3 Ų | 106.3 | 61% | 0.614 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.1 | -44.2 | 175.9 | -79.6 | -62.5 | 0 | 0 | 0 | 112.2 | S151 R152 T157 A158 K159 | S151-F155 WeakPolarHBondContact O-CD2 3.46Å; S151-F155 PolarHBondContact O-N 3.44Å; S151-F155 VanDerWaalsContact OG-CE2 3.25Å; S151-F155 WeakPolarHBondContact OG-CE2 3.4Å; R152-F155 PolarHBondContact O-N 3.02Å; F155-T157 VanDerWaalsContact C-N 3.34Å; F155-T157 PolarHBondContact O-N 3.2Å; F155-A158 PolarHBondContact O-N 2.87Å; F155-K159 VanDerWaalsContact O-CB 3.29Å; F155-K159 WeakPolarHBondContact O-CB 3.46Å; F155-K159 PolarHBondContact O-N 3.44Å |
| 156 | D | 98.3 | Very high | 97.8 | Very high | 84 Ų | 84 | 102.9 Ų | 102.9 | 45% | 0.449 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 177.2 | -69.7 | -29 | 0 | 0 | 0 | 110.8 | R152 K153 K159 E160 | R152-D156 PolarHBondContact O-N 2.92Å; K153-D156 PolarHBondContact O-N 3.48Å; D156-K159 PolarHBondContact O-N 2.95Å; D156-E160 PolarHBondContact O-N 3.47Å |
| 157 | T | 97.6 | Very high | 97.8 | Very high | 66 Ų | 66 | 101.6 Ų | 101.6 | 41% | 0.405 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 175.3 | -55.1 | 0 | 0 | 0 | 0 | 111.9 | K153 M154 F155 E160 K161 | K153-T157 WeakPolarHBondContact O-CB 3.39Å; K153-T157 PolarHBondContact O-N 3.27Å; K153-T157 PolarHBondContact O-OG1 3.37Å; M154-T157 PolarHBondContact O-N 3Å; F155-T157 VanDerWaalsContact C-N 3.34Å; F155-T157 PolarHBondContact O-N 3.2Å; T157-E160 PolarHBondContact O-N 3.41Å; T157-K161 WeakPolarHBondContact O-CG 3.38Å; T157-K161 PolarHBondContact O-N 3.38Å |
| 158 | A | 97.9 | Very high | 97.8 | Very high | 48 Ų | 48 | 105.8 Ų | 105.8 | 40% | 0.397 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.1 | -41.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | M154 F155 K161 M162 | M154-A158 WeakPolarHBondContact O-CB 3.45Å; M154-A158 PolarHBondContact O-N 3.4Å; F155-A158 PolarHBondContact O-N 2.87Å; A158-K161 PolarHBondContact O-N 2.92Å; A158-M162 WeakPolarHBondContact O-CB 3.46Å; A158-M162 PolarHBondContact O-N 2.85Å |
| 159 | K | 97.8 | Very high | 97.8 | Very high | 148 Ų | 148 | 104 Ų | 104 | 64% | 0.643 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.2 | -46.7 | 175.1 | -175.8 | 179.6 | 178.8 | -178.4 | 0 | 111.3 | F155 D156 K161 M162 E163 | F155-K159 VanDerWaalsContact O-CB 3.29Å; F155-K159 WeakPolarHBondContact O-CB 3.46Å; F155-K159 PolarHBondContact O-N 3.44Å; D156-K159 PolarHBondContact O-N 2.95Å; K159-K161 PolarHBondContact O-N 2.96Å; K159-M162 PolarHBondContact O-N 3.34Å; K159-E163 PolarHBondContact O-N 2.95Å |
| 160 | E | 98 | Very high | 97.8 | Very high | 95 Ų | 95 | 107.7 Ų | 107.7 | 44% | 0.444 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 176.2 | -170.2 | -165.9 | 161 | 0 | 0 | 111.6 | D156 T157 E163 K164 | D156-E160 PolarHBondContact O-N 3.47Å; T157-E160 PolarHBondContact O-N 3.41Å; E160-E163 PolarHBondContact O-N 3.46Å; E160-K164 WeakPolarHBondContact O-CG 3.28Å; E160-K164 PolarHBondContact O-N 3.41Å; E160-K164 WeakPolarHBondContact OE1-CE 3.37Å; E160-K164 IonicContact OE1-NZ 3.54Å; E160-K164 PolarHBondContact OE1-NZ 3.37Å |
| 161 | K | 97.8 | Very high | 97.7 | Very high | 142 Ų | 142 | 108.8 Ų | 108.8 | 62% | 0.617 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.9 | -41.9 | 176.2 | -75.1 | 179.8 | 179.8 | -178.9 | 0 | 112.1 | T157 A158 K159 K164 L165 | T157-K161 WeakPolarHBondContact O-CG 3.38Å; T157-K161 PolarHBondContact O-N 3.38Å; A158-K161 PolarHBondContact O-N 2.92Å; K159-K161 PolarHBondContact O-N 2.96Å; K161-K164 PolarHBondContact O-N 3.45Å; K161-L165 WeakPolarHBondContact O-CB 3.46Å; K161-L165 PolarHBondContact O-N 2.89Å |
| 162 | M | 97.3 | Very high | 97.7 | Very high | 141 Ų | 141 | 110.5 Ų | 110.5 | 70% | 0.695 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.3 | -39 | 178.3 | -171.6 | 142.4 | 66.1 | 0 | 0 | 111.7 | A158 K159 L165 G166 | A158-M162 WeakPolarHBondContact O-CB 3.46Å; A158-M162 PolarHBondContact O-N 2.85Å; K159-M162 PolarHBondContact O-N 3.34Å; M162-L165 PolarHBondContact O-N 3.37Å; M162-G166 PolarHBondContact O-N 3.48Å |
| 163 | E | 97.7 | Very high | 97.8 | Very high | 104 Ų | 104 | 107.7 Ų | 107.7 | 49% | 0.486 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 173.3 | -170.8 | -169.7 | 161.3 | 0 | 0 | 111.7 | K159 E160 L165 G166 K167 | K159-E163 PolarHBondContact O-N 2.95Å; E160-E163 PolarHBondContact O-N 3.46Å; E163-L165 VanDerWaalsContact C-N 3.35Å; E163-L165 PolarHBondContact O-N 2.93Å; E163-G166 PolarHBondContact O-N 3.07Å; E163-K167 WeakPolarHBondContact O-CG 3.41Å; E163-K167 PolarHBondContact O-N 3.38Å; E163-K167 VanDerWaalsContact OE1-CE 3.28Å; E163-K167 WeakPolarHBondContact OE1-CE 3.41Å; E163-K167 IonicContact OE1-NZ 3.2Å; E163-K167 PolarHBondContact OE1-NZ 2.98Å |
| 164 | K | 98 | Very high | 97.7 | Very high | 115 Ų | 115 | 105.2 Ų | 105.2 | 50% | 0.5 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 175.7 | -74.2 | 177.9 | -175 | 171 | 0 | 112 | E160 K161 K167 R168 | E160-K164 WeakPolarHBondContact O-CG 3.28Å; E160-K164 PolarHBondContact O-N 3.41Å; E160-K164 WeakPolarHBondContact OE1-CE 3.37Å; E160-K164 IonicContact OE1-NZ 3.54Å; E160-K164 PolarHBondContact OE1-NZ 3.37Å; K161-K164 PolarHBondContact O-N 3.45Å; K164-K167 PolarHBondContact O-N 3.42Å; K164-R168 WeakPolarHBondContact O-CG 3.5Å; K164-R168 PolarHBondContact O-N 3.21Å |
| 165 | L | 97.8 | Very high | 97.7 | Very high | 93 Ų | 93 | 103.4 Ų | 103.4 | 49% | 0.487 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 176.5 | -177.5 | 60.7 | 0 | 0 | 0 | 111.1 | K161 M162 E163 K167 R168 I169 | K161-L165 WeakPolarHBondContact O-CB 3.46Å; K161-L165 PolarHBondContact O-N 2.89Å; M162-L165 PolarHBondContact O-N 3.37Å; E163-L165 VanDerWaalsContact C-N 3.35Å; E163-L165 PolarHBondContact O-N 2.93Å; L165-K167 VanDerWaalsContact C-N 3.34Å; L165-K167 PolarHBondContact O-N 3.46Å; L165-R168 PolarHBondContact O-N 3.19Å; L165-R168 VanDerWaalsContact O-N 3.15Å; L165-I169 HydrophobicContact CD1-CD1 4.26Å; L165-I169 HydrophobicContact CD1-CG1 4.37Å; L165-I169 HydrophobicContact CG-CD1 3.94Å; L165-I169 HydrophobicContact CG-CG1 4.48Å; L165-I169 WeakPolarHBondContact O-CG1 3.33Å; L165-I169 PolarHBondContact O-N 3.34Å |
| 166 | G | 97.6 | Very high | 97.7 | Very high | 30 Ų | 30 | 99.5 Ų | 99.5 | 31% | 0.309 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.3 | -44.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | M162 E163 R168 I169 Q170 | M162-G166 PolarHBondContact O-N 3.48Å; E163-G166 PolarHBondContact O-N 3.07Å; G166-R168 PolarHBondContact O-N 2.94Å; G166-I169 PolarHBondContact O-N 2.65Å; G166-Q170 WeakPolarHBondContact O-CG 3.49Å; G166-Q170 PolarHBondContact O-N 3.39Å |
| 167 | K | 97.7 | Very high | 97.7 | Very high | 117 Ų | 117 | 100.1 Ų | 100.1 | 51% | 0.509 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 174.8 | -70.5 | 174.4 | -174.4 | 168.7 | 0 | 112.6 | E163 K164 L165 Q170 L171 | E163-K167 WeakPolarHBondContact O-CG 3.41Å; E163-K167 PolarHBondContact O-N 3.38Å; E163-K167 VanDerWaalsContact OE1-CE 3.28Å; E163-K167 WeakPolarHBondContact OE1-CE 3.41Å; E163-K167 IonicContact OE1-NZ 3.2Å; E163-K167 PolarHBondContact OE1-NZ 2.98Å; K164-K167 PolarHBondContact O-N 3.42Å; L165-K167 VanDerWaalsContact C-N 3.34Å; L165-K167 PolarHBondContact O-N 3.46Å; K167-Q170 PolarHBondContact O-N 2.94Å; K167-L171 WeakPolarHBondContact O-CB 3.5Å; K167-L171 PolarHBondContact O-N 3.41Å |
| 168 | R | 97.8 | Very high | 97.7 | Very high | 181 Ų | 181 | 99.4 Ų | 99.4 | 68% | 0.683 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66 | -40.2 | 177 | -74.5 | -179.8 | 65.3 | -160.9 | -1.5 | 112.5 | K164 L165 G166 L171 S172 | K164-R168 WeakPolarHBondContact O-CG 3.5Å; K164-R168 PolarHBondContact O-N 3.21Å; L165-R168 PolarHBondContact O-N 3.19Å; L165-R168 VanDerWaalsContact O-N 3.15Å; G166-R168 PolarHBondContact O-N 2.94Å; R168-L171 PolarHBondContact O-N 3.42Å; R168-S172 WeakPolarHBondContact O-CB 3.43Å; R168-S172 PolarHBondContact O-N 3.02Å |
| 169 | I | 97.9 | Very high | 97.7 | Very high | 80 Ų | 80 | 105.2 Ų | 105.2 | 41% | 0.41 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.8 | -50.7 | 175.7 | -70.8 | 168.5 | 0 | 0 | 0 | 109.6 | L165 G166 L171 S172 E173 | L165-I169 HydrophobicContact CD1-CD1 4.26Å; L165-I169 HydrophobicContact CD1-CG1 4.37Å; L165-I169 HydrophobicContact CG-CD1 3.94Å; L165-I169 HydrophobicContact CG-CG1 4.48Å; L165-I169 WeakPolarHBondContact O-CG1 3.33Å; L165-I169 PolarHBondContact O-N 3.34Å; G166-I169 PolarHBondContact O-N 2.65Å; I169-L171 VanDerWaalsContact C-N 3.31Å; I169-L171 PolarHBondContact O-N 3.29Å; I169-S172 PolarHBondContact O-N 3.48Å; I169-E173 HydrophobicContact CG2-CG 4.25Å; I169-E173 WeakPolarHBondContact CG2-OE1 3.42Å; I169-E173 WeakPolarHBondContact O-CB 3.43Å; I169-E173 WeakPolarHBondContact O-CG 3.49Å; I169-E173 PolarHBondContact O-N 3.2Å |
| 170 | Q | 97.5 | Very high | 97.7 | Very high | 133 Ų | 133 | 103.4 Ų | 103.4 | 62% | 0.621 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -57.1 | -42.9 | 177.8 | -73.5 | 176.7 | -8.2 | 0 | 0 | 112.7 | G166 K167 S174 | G166-Q170 WeakPolarHBondContact O-CG 3.49Å; G166-Q170 PolarHBondContact O-N 3.39Å; K167-Q170 PolarHBondContact O-N 2.94Å; Q170-S174 WeakPolarHBondContact O-CB 3.5Å; Q170-S174 PolarHBondContact O-N 3.43Å; Q170-S174 PolarHBondContact O-OG 3.5Å |
| 171 | L | 97.8 | Very high | 97.6 | Very high | 99 Ų | 99 | 100.3 Ų | 100.3 | 52% | 0.518 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.1 | -49.7 | 176.6 | -177.3 | 65.4 | 0 | 0 | 0 | 111.2 | K167 R168 I169 E173 S174 E175 | K167-L171 WeakPolarHBondContact O-CB 3.5Å; K167-L171 PolarHBondContact O-N 3.41Å; R168-L171 PolarHBondContact O-N 3.42Å; I169-L171 VanDerWaalsContact C-N 3.31Å; I169-L171 PolarHBondContact O-N 3.29Å; L171-E173 VanDerWaalsContact C-N 3.31Å; L171-E173 PolarHBondContact O-N 3.07Å; L171-S174 PolarHBondContact O-N 3.41Å; L171-S174 VanDerWaalsContact O-N 3.16Å; L171-S174 PolarHBondContact O-OG 2.89Å; L171-E175 WeakPolarHBondContact O-CG 3.48Å; L171-E175 PolarHBondContact O-N 3.22Å |
| 172 | S | 97 | Very high | 97.6 | Very high | 73 Ų | 73 | 99.4 Ų | 99.4 | 51% | 0.51 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.8 | -37.5 | 179.1 | -173.1 | 0 | 0 | 0 | 0 | 112.7 | R168 I169 A176 | R168-S172 WeakPolarHBondContact O-CB 3.43Å; R168-S172 PolarHBondContact O-N 3.02Å; I169-S172 PolarHBondContact O-N 3.48Å; S172-A176 WeakPolarHBondContact O-CB 3.46Å; S172-A176 PolarHBondContact O-N 3.43Å |
| 173 | E | 97.7 | Very high | 97.7 | Very high | 116 Ų | 116 | 100.1 Ų | 100.1 | 54% | 0.542 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.1 | -42.8 | 174.7 | -73.8 | 174 | 167.5 | 0 | 0 | 111.1 | I169 L171 E175 A176 V177 | I169-E173 HydrophobicContact CG2-CG 4.25Å; I169-E173 WeakPolarHBondContact CG2-OE1 3.42Å; I169-E173 WeakPolarHBondContact O-CB 3.43Å; I169-E173 WeakPolarHBondContact O-CG 3.49Å; I169-E173 PolarHBondContact O-N 3.2Å; L171-E173 VanDerWaalsContact C-N 3.31Å; L171-E173 PolarHBondContact O-N 3.07Å; E173-E175 VanDerWaalsContact C-N 3.34Å; E173-E175 PolarHBondContact O-N 3.32Å; E173-A176 PolarHBondContact O-N 2.96Å; E173-V177 WeakPolarHBondContact O-CG2 3.32Å; E173-V177 PolarHBondContact O-N 2.97Å |
| 174 | S | 97.2 | Very high | 97.7 | Very high | 67 Ų | 67 | 98.2 Ų | 98.2 | 47% | 0.469 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64 | -38.5 | 176.9 | 75.4 | 0 | 0 | 0 | 0 | 112.6 | Q170 L171 A178 | Q170-S174 WeakPolarHBondContact O-CB 3.5Å; Q170-S174 PolarHBondContact O-N 3.43Å; Q170-S174 PolarHBondContact O-OG 3.5Å; L171-S174 PolarHBondContact O-N 3.41Å; L171-S174 VanDerWaalsContact O-N 3.16Å; L171-S174 PolarHBondContact O-OG 2.89Å; S174-A178 WeakPolarHBondContact O-CB 3.46Å; S174-A178 PolarHBondContact O-N 3.38Å |
| 175 | E | 97.8 | Very high | 97.7 | Very high | 99 Ų | 99 | 96.4 Ų | 96.4 | 46% | 0.463 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67 | -41.9 | 174.1 | -73.1 | 176.7 | -176.5 | 0 | 0 | 111.4 | L171 E173 A178 W179 | L171-E175 WeakPolarHBondContact O-CG 3.48Å; L171-E175 PolarHBondContact O-N 3.22Å; E173-E175 VanDerWaalsContact C-N 3.34Å; E173-E175 PolarHBondContact O-N 3.32Å; E175-A178 PolarHBondContact O-N 3.41Å; E175-W179 WeakPolarHBondContact O-CB 3.41Å; E175-W179 PolarHBondContact O-N 3.49Å |
| 176 | A | 97.8 | Very high | 97.7 | Very high | 58 Ų | 58 | 95.7 Ų | 95.7 | 48% | 0.479 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.3 | -46.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S172 E173 A178 W179 Q180 | S172-A176 WeakPolarHBondContact O-CB 3.46Å; S172-A176 PolarHBondContact O-N 3.43Å; E173-A176 PolarHBondContact O-N 2.96Å; A176-A178 PolarHBondContact O-N 3.39Å; A176-W179 PolarHBondContact O-N 3.42Å; A176-Q180 WeakPolarHBondContact O-CB 3.12Å; A176-Q180 PolarHBondContact O-N 3.4Å |
| 177 | V | 97.3 | Very high | 97.7 | Very high | 98 Ų | 98 | 98.4 Ų | 98.4 | 59% | 0.594 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63 | -41.8 | 175.2 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | E173 W179 Q180 G181 | E173-V177 WeakPolarHBondContact O-CG2 3.32Å; E173-V177 PolarHBondContact O-N 2.97Å; V177-W179 PolarHBondContact O-N 3.14Å; V177-Q180 PolarHBondContact O-N 2.87Å; V177-G181 PolarHBondContact O-N 3.23Å |
| 178 | A | 97.8 | Very high | 97.7 | Very high | 51 Ų | 51 | 99.4 Ų | 99.4 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.5 | -41 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S174 E175 A176 G181 K182 | S174-A178 WeakPolarHBondContact O-CB 3.46Å; S174-A178 PolarHBondContact O-N 3.38Å; E175-A178 PolarHBondContact O-N 3.41Å; A176-A178 PolarHBondContact O-N 3.39Å; A178-G181 PolarHBondContact O-N 2.94Å; A178-K182 WeakPolarHBondContact O-CG 3.3Å; A178-K182 PolarHBondContact O-N 3.35Å |
| 179 | W | 97.8 | Very high | 97.6 | Very high | 170 Ų | 170 | 93.9 Ų | 93.9 | 64% | 0.644 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.8 | -40.3 | 175.2 | -82.7 | 114.1 | 0 | 0 | 0 | 112.5 | E175 A176 V177 G181 K182 W183 | E175-W179 WeakPolarHBondContact O-CB 3.41Å; E175-W179 PolarHBondContact O-N 3.49Å; A176-W179 PolarHBondContact O-N 3.42Å; V177-W179 PolarHBondContact O-N 3.14Å; W179-G181 VanDerWaalsContact C-N 3.34Å; W179-G181 PolarHBondContact O-N 2.91Å; W179-K182 HydrophobicContact CE3-CD 4.05Å; W179-K182 HydrophobicContact CZ3-CD 4.25Å; W179-K182 PolarHBondContact O-N 3.38Å; W179-W183 WeakPolarHBondContact O-CB 3.5Å; W179-W183 PolarHBondContact O-N 3.02Å |
| 180 | Q | 97.8 | Very high | 97.6 | Very high | 110 Ų | 110 | 95.6 Ų | 95.6 | 51% | 0.514 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.9 | -48.4 | 172.2 | -175.1 | -173 | -22.9 | 0 | 0 | 110.5 | A176 V177 K182 W183 E184 | A176-Q180 WeakPolarHBondContact O-CB 3.12Å; A176-Q180 PolarHBondContact O-N 3.4Å; V177-Q180 PolarHBondContact O-N 2.87Å; Q180-K182 PolarHBondContact O-N 2.91Å; Q180-W183 PolarHBondContact O-N 3.22Å; Q180-E184 PolarHBondContact NE2-OE1 3.38Å; Q180-E184 WeakPolarHBondContact O-CG 3.36Å; Q180-E184 PolarHBondContact O-N 3.01Å |
| 181 | G | 97.5 | Very high | 97.6 | Very high | 29 Ų | 29 | 94.8 Ų | 94.8 | 30% | 0.299 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V177 A178 W179 E184 V185 | V177-G181 PolarHBondContact O-N 3.23Å; A178-G181 PolarHBondContact O-N 2.94Å; W179-G181 VanDerWaalsContact C-N 3.34Å; W179-G181 PolarHBondContact O-N 2.91Å; G181-E184 PolarHBondContact O-N 2.9Å; G181-V185 WeakPolarHBondContact O-CG2 3.24Å; G181-V185 PolarHBondContact O-N 3.49Å |
| 182 | K | 97.5 | Very high | 97.5 | Very high | 123 Ų | 123 | 96.6 Ų | 96.6 | 54% | 0.535 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 174.7 | -72.9 | 171.8 | -176.5 | 176.9 | 0 | 112.1 | A178 W179 Q180 V185 S186 | A178-K182 WeakPolarHBondContact O-CG 3.3Å; A178-K182 PolarHBondContact O-N 3.35Å; W179-K182 HydrophobicContact CE3-CD 4.05Å; W179-K182 HydrophobicContact CZ3-CD 4.25Å; W179-K182 PolarHBondContact O-N 3.38Å; Q180-K182 PolarHBondContact O-N 2.91Å; K182-V185 PolarHBondContact O-N 2.93Å; K182-S186 WeakPolarHBondContact O-CB 3.38Å; K182-S186 PolarHBondContact O-N 3.49Å |
| 183 | W | 98 | Very high | 97.6 | Very high | 156 Ų | 156 | 98.7 Ų | 98.7 | 59% | 0.591 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.6 | -43.3 | 178.4 | 179.4 | 84.9 | 0 | 0 | 0 | 111.4 | W179 Q180 V185 S186 Q187 | W179-W183 WeakPolarHBondContact O-CB 3.5Å; W179-W183 PolarHBondContact O-N 3.02Å; Q180-W183 PolarHBondContact O-N 3.22Å; W183-V185 PolarHBondContact O-N 3.24Å; W183-S186 PolarHBondContact O-N 3.39Å; W183-Q187 VanDerWaalsContact CZ3-OE1 3.23Å; W183-Q187 WeakPolarHBondContact O-CB 3.48Å; W183-Q187 PolarHBondContact O-N 3.07Å |
| 184 | E | 98.1 | Very high | 97.5 | Very high | 65 Ų | 65 | 95.9 Ų | 95.9 | 30% | 0.304 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63 | -39.1 | 175.3 | -73.4 | 177.8 | -166.3 | 0 | 0 | 112.6 | Q180 G181 Q187 R188 | Q180-E184 PolarHBondContact NE2-OE1 3.38Å; Q180-E184 WeakPolarHBondContact O-CG 3.36Å; Q180-E184 PolarHBondContact O-N 3.01Å; G181-E184 PolarHBondContact O-N 2.9Å; E184-Q187 PolarHBondContact O-N 3.14Å; E184-R188 WeakPolarHBondContact O-CB 3.43Å; E184-R188 WeakPolarHBondContact O-CG 3.39Å; E184-R188 PolarHBondContact O-N 2.93Å; E184-R188 IonicContact OE2-NH1 2.78Å |
| 185 | V | 97.7 | Very high | 97.5 | Very high | 76 Ų | 76 | 99.7 Ų | 99.7 | 46% | 0.461 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.5 | -48.4 | 173.8 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | G181 K182 W183 Q187 R188 S189 | G181-V185 WeakPolarHBondContact O-CG2 3.24Å; G181-V185 PolarHBondContact O-N 3.49Å; K182-V185 PolarHBondContact O-N 2.93Å; W183-V185 PolarHBondContact O-N 3.24Å; V185-Q187 VanDerWaalsContact C-N 3.3Å; V185-Q187 PolarHBondContact O-N 3.46Å; V185-R188 VanDerWaalsContact CG2-NH2 3.28Å; V185-R188 PolarHBondContact O-N 3.42Å; V185-S189 PolarHBondContact O-N 2.89Å; V185-S189 PolarHBondContact O-OG 3.4Å |
| 186 | S | 97.9 | Very high | 97.4 | Very high | 79 Ų | 79 | 99.1 Ų | 99.1 | 55% | 0.552 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -57.9 | -44.2 | 176.7 | -175.9 | 0 | 0 | 0 | 0 | 111.6 | K182 W183 S189 L190 | K182-S186 WeakPolarHBondContact O-CB 3.38Å; K182-S186 PolarHBondContact O-N 3.49Å; W183-S186 PolarHBondContact O-N 3.39Å; S186-S189 PolarHBondContact O-N 3.42Å; S186-L190 WeakPolarHBondContact O-CB 3.31Å; S186-L190 PolarHBondContact O-N 2.94Å |
| 187 | Q | 97.7 | Very high | 97.4 | Very high | 87 Ų | 87 | 101.8 Ų | 101.8 | 41% | 0.407 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 177.2 | -169.4 | 178.5 | 40.6 | 0 | 0 | 112 | W183 E184 V185 L190 L191 | W183-Q187 VanDerWaalsContact CZ3-OE1 3.23Å; W183-Q187 WeakPolarHBondContact O-CB 3.48Å; W183-Q187 PolarHBondContact O-N 3.07Å; E184-Q187 PolarHBondContact O-N 3.14Å; V185-Q187 VanDerWaalsContact C-N 3.3Å; V185-Q187 PolarHBondContact O-N 3.46Å; Q187-L190 PolarHBondContact O-N 2.97Å; Q187-L191 HydrophobicContact CG-CD1 4.49Å; Q187-L191 WeakPolarHBondContact O-CG 3.27Å; Q187-L191 PolarHBondContact O-N 3.4Å |
| 188 | R | 97.4 | Very high | 97.4 | Very high | 137 Ų | 137 | 105 Ų | 105 | 52% | 0.517 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.4 | -47.1 | 174.6 | -79.2 | -173 | -68.6 | -94.8 | 0.6 | 111.9 | E184 V185 L190 L191 E192 | E184-R188 WeakPolarHBondContact O-CB 3.43Å; E184-R188 WeakPolarHBondContact O-CG 3.39Å; E184-R188 PolarHBondContact O-N 2.93Å; E184-R188 IonicContact OE2-NH1 2.78Å; V185-R188 VanDerWaalsContact CG2-NH2 3.28Å; V185-R188 PolarHBondContact O-N 3.42Å; R188-L190 VanDerWaalsContact C-N 3.31Å; R188-L190 PolarHBondContact O-N 2.9Å; R188-L191 PolarHBondContact O-N 3.13Å; R188-E192 PolarHBondContact O-N 2.93Å |
| 189 | S | 97.4 | Very high | 97.3 | Very high | 65 Ų | 65 | 107.9 Ų | 107.9 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.2 | -36.6 | 177.5 | -62.4 | 0 | 0 | 0 | 0 | 112.5 | V185 S186 E192 L193 | V185-S189 PolarHBondContact O-N 2.89Å; V185-S189 PolarHBondContact O-OG 3.4Å; S186-S189 PolarHBondContact O-N 3.42Å; S189-E192 PolarHBondContact O-N 2.79Å; S189-L193 VanDerWaalsContact O-CB 3.31Å; S189-L193 WeakPolarHBondContact O-CB 3.35Å; S189-L193 PolarHBondContact O-N 2.91Å |
| 190 | L | 97.6 | Very high | 97.3 | Very high | 117 Ų | 117 | 105.1 Ų | 105.1 | 61% | 0.613 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.5 | -40.7 | 175.1 | -175.2 | 64.2 | 0 | 0 | 0 | 111.9 | S186 Q187 R188 A194 | S186-L190 WeakPolarHBondContact O-CB 3.31Å; S186-L190 PolarHBondContact O-N 2.94Å; Q187-L190 PolarHBondContact O-N 2.97Å; R188-L190 VanDerWaalsContact C-N 3.31Å; R188-L190 PolarHBondContact O-N 2.9Å; L190-A194 WeakPolarHBondContact O-CB 3.45Å; L190-A194 PolarHBondContact O-N 3.19Å |
| 191 | L | 97.1 | Very high | 97.2 | Very high | 115 Ų | 115 | 105 Ų | 105 | 60% | 0.602 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.2 | -43.4 | 175.3 | -72.7 | 172 | 0 | 0 | 0 | 111.9 | Q187 R188 A194 E195 | Q187-L191 HydrophobicContact CG-CD1 4.49Å; Q187-L191 WeakPolarHBondContact O-CG 3.27Å; Q187-L191 PolarHBondContact O-N 3.4Å; R188-L191 PolarHBondContact O-N 3.13Å; L191-A194 PolarHBondContact O-N 2.92Å; L191-E195 PolarHBondContact O-N 3.39Å |
| 192 | E | 96.6 | Very high | 97.1 | Very high | 138 Ų | 138 | 106.7 Ų | 106.7 | 65% | 0.645 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.5 | -43.9 | 175.8 | -174.8 | 177 | -172.6 | 0 | 0 | 111.6 | R188 S189 A194 E195 Q196 | R188-E192 PolarHBondContact O-N 2.93Å; S189-E192 PolarHBondContact O-N 2.79Å; E192-A194 VanDerWaalsContact C-N 3.33Å; E192-A194 PolarHBondContact O-N 3.17Å; E192-E195 PolarHBondContact O-N 3.33Å; E192-Q196 WeakPolarHBondContact O-CB 3.19Å; E192-Q196 PolarHBondContact O-N 3.45Å |
| 193 | L | 97.1 | Very high | 97.1 | Very high | 116 Ų | 116 | 105.5 Ų | 105.5 | 61% | 0.607 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.2 | -39.8 | 174.6 | -175.7 | 66 | 0 | 0 | 0 | 111.8 | S189 Q196 H197 | S189-L193 VanDerWaalsContact O-CB 3.31Å; S189-L193 WeakPolarHBondContact O-CB 3.35Å; S189-L193 PolarHBondContact O-N 2.91Å; L193-Q196 PolarHBondContact O-N 3.13Å; L193-H197 VanDerWaalsContact O-CB 3.27Å; L193-H197 WeakPolarHBondContact O-CB 3.41Å; L193-H197 PolarHBondContact O-N 2.9Å |
| 194 | A | 96.8 | Very high | 96.9 | Very high | 57 Ų | 57 | 101.7 Ų | 101.7 | 47% | 0.471 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L190 L191 E192 K198 | L190-A194 WeakPolarHBondContact O-CB 3.45Å; L190-A194 PolarHBondContact O-N 3.19Å; L191-A194 PolarHBondContact O-N 2.92Å; E192-A194 VanDerWaalsContact C-N 3.33Å; E192-A194 PolarHBondContact O-N 3.17Å; A194-K198 WeakPolarHBondContact O-CB 3.29Å; A194-K198 PolarHBondContact O-N 3.23Å |
| 195 | E | 96.2 | Very high | 96.8 | Very high | 147 Ų | 147 | 102.6 Ų | 102.6 | 69% | 0.687 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.7 | -45.5 | 174.9 | -175.8 | 167.7 | -155.9 | 0 | 0 | 111.6 | L191 E192 K198 K199 | L191-E195 PolarHBondContact O-N 3.39Å; E192-E195 PolarHBondContact O-N 3.33Å; E195-K198 WeakPolarHBondContact O-CB 3.39Å; E195-K198 PolarHBondContact O-N 3Å; E195-K199 PolarHBondContact O-N 3.11Å |
| 196 | Q | 97.1 | Very high | 96.7 | Very high | 87 Ų | 87 | 102.7 Ų | 102.7 | 41% | 0.407 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 175.9 | -177.8 | 59.4 | 24.1 | 0 | 0 | 111.4 | E192 L193 K198 K199 E200 | E192-Q196 WeakPolarHBondContact O-CB 3.19Å; E192-Q196 PolarHBondContact O-N 3.45Å; L193-Q196 PolarHBondContact O-N 3.13Å; Q196-K198 VanDerWaalsContact C-N 3.33Å; Q196-K198 PolarHBondContact O-N 3.28Å; Q196-K199 WeakPolarHBondContact O-CB 3.4Å; Q196-K199 PolarHBondContact O-N 2.94Å; Q196-E200 PolarHBondContact NE2-OE2 2.63Å; Q196-E200 WeakPolarHBondContact O-CB 3.5Å; Q196-E200 PolarHBondContact O-N 2.91Å |
| 197 | H | 97 | Very high | 96.5 | Very high | 115 Ų | 115 | 101.2 Ų | 101.2 | 53% | 0.532 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.3 | -41.3 | 175.8 | 177.7 | -94.1 | 0 | 0 | 0 | 111.9 | L193 M201 | L193-H197 VanDerWaalsContact O-CB 3.27Å; L193-H197 WeakPolarHBondContact O-CB 3.41Å; L193-H197 PolarHBondContact O-N 2.9Å; H197-M201 VanDerWaalsContact O-CB 3.24Å; H197-M201 WeakPolarHBondContact O-CB 3.4Å; H197-M201 PolarHBondContact O-N 2.89Å |
| 198 | K | 96.9 | Very high | 96.4 | Very high | 164 Ų | 164 | 103.4 Ų | 103.4 | 71% | 0.713 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.4 | -42.7 | 175.3 | -179 | -176.7 | 176.2 | -176.2 | 0 | 111.7 | A194 E195 Q196 S202 | A194-K198 WeakPolarHBondContact O-CB 3.29Å; A194-K198 PolarHBondContact O-N 3.23Å; E195-K198 WeakPolarHBondContact O-CB 3.39Å; E195-K198 PolarHBondContact O-N 3Å; Q196-K198 VanDerWaalsContact C-N 3.33Å; Q196-K198 PolarHBondContact O-N 3.28Å; K198-S202 PolarHBondContact O-N 3.35Å; K198-S202 VanDerWaalsContact O-N 3.08Å |
| 199 | K | 96.8 | Very high | 96.2 | Very high | 113 Ų | 113 | 102.4 Ų | 102.4 | 49% | 0.491 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.5 | -51.2 | 176.6 | -179.5 | -176.9 | 171.5 | -172.2 | 0 | 111.3 | E195 Q196 M201 S202 E203 | E195-K199 PolarHBondContact O-N 3.11Å; Q196-K199 WeakPolarHBondContact O-CB 3.4Å; Q196-K199 PolarHBondContact O-N 2.94Å; K199-M201 VanDerWaalsContact C-N 3.29Å; K199-M201 PolarHBondContact O-N 3.01Å; K199-S202 WeakPolarHBondContact O-CB 3.31Å; K199-S202 PolarHBondContact O-N 2.94Å; K199-S202 VanDerWaalsContact O-N 3.1Å; K199-E203 WeakPolarHBondContact CE-OE1 3.37Å; K199-E203 WeakPolarHBondContact O-CG 3.37Å; K199-E203 PolarHBondContact O-N 3.43Å |
| 200 | E | 96.4 | Very high | 96.1 | Very high | 111 Ų | 111 | 105.9 Ų | 105.9 | 52% | 0.519 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -57.5 | -41.8 | 177.2 | -163.9 | 99.7 | -153.3 | 0 | 0 | 111.3 | Q196 S202 E203 S204 | Q196-E200 PolarHBondContact NE2-OE2 2.63Å; Q196-E200 WeakPolarHBondContact O-CB 3.5Å; Q196-E200 PolarHBondContact O-N 2.91Å; E200-S202 PolarHBondContact O-N 3.04Å; E200-E203 PolarHBondContact O-N 3.05Å; E200-S204 WeakPolarHBondContact O-CB 3.2Å; E200-S204 PolarHBondContact O-N 3.29Å |
| 201 | M | 96.8 | Very high | 95.9 | Very high | 107 Ų | 107 | 105 Ų | 105 | 53% | 0.527 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 176.5 | -174.4 | 133.1 | -69.4 | 0 | 0 | 112.1 | H197 K199 L205 | H197-M201 VanDerWaalsContact O-CB 3.24Å; H197-M201 WeakPolarHBondContact O-CB 3.4Å; H197-M201 PolarHBondContact O-N 2.89Å; K199-M201 VanDerWaalsContact C-N 3.29Å; K199-M201 PolarHBondContact O-N 3.01Å; M201-L205 WeakPolarHBondContact O-CB 3.37Å; M201-L205 PolarHBondContact O-N 3.12Å |
| 202 | S | 95.8 | Very high | 95.7 | Very high | 65 Ų | 65 | 105.1 Ų | 105.1 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66 | -43.7 | 174.8 | 177.6 | 0 | 0 | 0 | 0 | 112 | K198 K199 E200 L205 N206 | K198-S202 PolarHBondContact O-N 3.35Å; K198-S202 VanDerWaalsContact O-N 3.08Å; K199-S202 WeakPolarHBondContact O-CB 3.31Å; K199-S202 PolarHBondContact O-N 2.94Å; K199-S202 VanDerWaalsContact O-N 3.1Å; E200-S202 PolarHBondContact O-N 3.04Å; S202-L205 PolarHBondContact O-N 3.11Å; S202-N206 WeakPolarHBondContact O-CB 3.5Å; S202-N206 PolarHBondContact O-N 3.05Å; S202-N206 PolarHBondContact O-ND2 3.26Å |
| 203 | E | 96.3 | Very high | 95.5 | Very high | 99 Ų | 99 | 106.4 Ų | 106.4 | 46% | 0.463 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.7 | -45.6 | 176.5 | -71.9 | 176.2 | -172.2 | 0 | 0 | 111.7 | K199 E200 L205 N206 A207 | K199-E203 WeakPolarHBondContact CE-OE1 3.37Å; K199-E203 WeakPolarHBondContact O-CG 3.37Å; K199-E203 PolarHBondContact O-N 3.43Å; E200-E203 PolarHBondContact O-N 3.05Å; E203-L205 VanDerWaalsContact C-N 3.34Å; E203-L205 PolarHBondContact O-N 3.43Å; E203-N206 CarbonylContact O-C 3.6Å; E203-N206 WeakPolarHBondContact O-CB 3.44Å; E203-N206 PolarHBondContact O-N 3.18Å; E203-A207 WeakPolarHBondContact O-CB 3.23Å; E203-A207 PolarHBondContact O-N 3.31Å |
| 204 | S | 94.1 | Very high | 95.3 | Very high | 75 Ų | 75 | 106 Ų | 106 | 52% | 0.524 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.9 | -42.3 | 174.9 | 179.1 | 0 | 0 | 0 | 0 | 111.9 | E200 A207 K208 | E200-S204 WeakPolarHBondContact O-CB 3.2Å; E200-S204 PolarHBondContact O-N 3.29Å; S204-A207 PolarHBondContact O-N 3.24Å; S204-K208 VanDerWaalsContact O-CB 3.27Å; S204-K208 WeakPolarHBondContact O-CB 3.35Å; S204-K208 PolarHBondContact O-N 3.05Å |
| 205 | L | 95.8 | Very high | 94.9 | Very high | 84 Ų | 84 | 104.3 Ų | 104.3 | 44% | 0.44 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.4 | -39.9 | 175.7 | -164.5 | 160.5 | 0 | 0 | 0 | 111.3 | M201 S202 E203 K208 K209 | M201-L205 WeakPolarHBondContact O-CB 3.37Å; M201-L205 PolarHBondContact O-N 3.12Å; S202-L205 PolarHBondContact O-N 3.11Å; E203-L205 VanDerWaalsContact C-N 3.34Å; E203-L205 PolarHBondContact O-N 3.43Å; L205-K208 PolarHBondContact O-N 3.5Å; L205-K209 HydrophobicContact CD2-CD 3.74Å; L205-K209 HydrophobicContact CD2-CG 4.22Å; L205-K209 VanDerWaalsContact CD2-NZ 3.28Å; L205-K209 WeakPolarHBondContact O-CG 3.29Å; L205-K209 PolarHBondContact O-N 3.46Å |
| 206 | N | 95.2 | Very high | 94.6 | Very high | 78 Ų | 78 | 98.8 Ų | 98.8 | 42% | 0.417 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.2 | -44.2 | 174.1 | -77.5 | -27.3 | 0 | 0 | 0 | 112.4 | S202 E203 K208 K209 Q210 | S202-N206 WeakPolarHBondContact O-CB 3.5Å; S202-N206 PolarHBondContact O-N 3.05Å; S202-N206 PolarHBondContact O-ND2 3.26Å; E203-N206 CarbonylContact O-C 3.6Å; E203-N206 WeakPolarHBondContact O-CB 3.44Å; E203-N206 PolarHBondContact O-N 3.18Å; N206-K208 VanDerWaalsContact C-N 3.33Å; N206-K208 PolarHBondContact O-N 3.07Å; N206-K209 WeakPolarHBondContact O-CB 3.38Å; N206-K209 PolarHBondContact O-N 3.29Å; N206-Q210 WeakPolarHBondContact O-CG 3.24Å; N206-Q210 PolarHBondContact O-N 2.91Å |
| 207 | A | 93.7 | Very high | 94.3 | Very high | 49 Ų | 49 | 100.2 Ų | 100.2 | 41% | 0.405 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61 | -43.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | E203 S204 K209 Q210 V211 | E203-A207 WeakPolarHBondContact O-CB 3.23Å; E203-A207 PolarHBondContact O-N 3.31Å; S204-A207 PolarHBondContact O-N 3.24Å; A207-K209 PolarHBondContact O-N 2.84Å; A207-Q210 WeakPolarHBondContact O-CB 3.38Å; A207-Q210 PolarHBondContact O-N 3.36Å; A207-Q210 VanDerWaalsContact O-N 3.13Å; A207-V211 WeakPolarHBondContact O-CG2 3.47Å; A207-V211 PolarHBondContact O-N 2.93Å |
| 208 | K | 95.7 | Very high | 93.9 | Very high | 132 Ų | 132 | 98 Ų | 98 | 57% | 0.574 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59 | -45.6 | 174 | -172.5 | 178 | 179.1 | -179.4 | 0 | 111.8 | S204 L205 N206 Q210 V211 E212 | S204-K208 VanDerWaalsContact O-CB 3.27Å; S204-K208 WeakPolarHBondContact O-CB 3.35Å; S204-K208 PolarHBondContact O-N 3.05Å; L205-K208 PolarHBondContact O-N 3.5Å; N206-K208 VanDerWaalsContact C-N 3.33Å; N206-K208 PolarHBondContact O-N 3.07Å; K208-Q210 VanDerWaalsContact C-N 3.32Å; K208-Q210 PolarHBondContact O-N 3.44Å; K208-V211 PolarHBondContact O-N 2.92Å; K208-E212 WeakPolarHBondContact O-CB 3.21Å; K208-E212 WeakPolarHBondContact O-CG 3.26Å; K208-E212 PolarHBondContact O-N 2.75Å |
| 209 | K | 94.7 | Very high | 93.5 | Very high | 116 Ų | 116 | 97.6 Ų | 97.6 | 50% | 0.504 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.8 | -39.5 | 173.6 | -76.9 | 171.6 | 173.6 | 165.9 | 0 | 112.5 | L205 N206 A207 K213 | L205-K209 HydrophobicContact CD2-CD 3.74Å; L205-K209 HydrophobicContact CD2-CG 4.22Å; L205-K209 VanDerWaalsContact CD2-NZ 3.28Å; L205-K209 WeakPolarHBondContact O-CG 3.29Å; L205-K209 PolarHBondContact O-N 3.46Å; N206-K209 WeakPolarHBondContact O-CB 3.38Å; N206-K209 PolarHBondContact O-N 3.29Å; A207-K209 PolarHBondContact O-N 2.84Å; K209-K213 PolarHBondContact O-N 3.39Å |
| 210 | Q | 94.9 | Very high | 92.9 | Very high | 138 Ų | 138 | 94.3 Ų | 94.3 | 65% | 0.645 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -68.5 | -42.9 | 176.8 | -71.3 | -176.2 | 22.1 | 0 | 0 | 111.9 | N206 A207 K208 K213 L214 | N206-Q210 WeakPolarHBondContact O-CG 3.24Å; N206-Q210 PolarHBondContact O-N 2.91Å; A207-Q210 WeakPolarHBondContact O-CB 3.38Å; A207-Q210 PolarHBondContact O-N 3.36Å; A207-Q210 VanDerWaalsContact O-N 3.13Å; K208-Q210 VanDerWaalsContact C-N 3.32Å; K208-Q210 PolarHBondContact O-N 3.44Å; Q210-K213 PolarHBondContact O-N 2.94Å; Q210-L214 WeakPolarHBondContact O-CB 3.41Å; Q210-L214 PolarHBondContact O-N 2.89Å |
| 211 | V | 93.5 | Very high | 92.2 | Very high | 100 Ų | 100 | 94.3 Ų | 94.3 | 61% | 0.606 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64 | -40 | 175 | 171.3 | 0 | 0 | 0 | 0 | 111 | A207 K208 L214 G215 | A207-V211 WeakPolarHBondContact O-CG2 3.47Å; A207-V211 PolarHBondContact O-N 2.93Å; K208-V211 PolarHBondContact O-N 2.92Å; V211-L214 PolarHBondContact O-N 3.44Å; V211-G215 WeakPolarHBondContact O-CA 3.49Å; V211-G215 PolarHBondContact O-N 3.38Å |
| 212 | E | 92 | Very high | 91.6 | Very high | 116 Ų | 116 | 96.1 Ų | 96.1 | 54% | 0.542 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 173.5 | -81.4 | 175.7 | -179.3 | 0 | 0 | 111.9 | K208 G215 G216 | K208-E212 WeakPolarHBondContact O-CB 3.21Å; K208-E212 WeakPolarHBondContact O-CG 3.26Å; K208-E212 PolarHBondContact O-N 2.75Å; E212-G215 PolarHBondContact O-N 3.07Å; E212-G216 PolarHBondContact O-N 3.21Å |
| 213 | K | 93.6 | Very high | 90.7 | Very high | 165 Ų | 165 | 97.8 Ų | 97.8 | 72% | 0.717 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.2 | -49.4 | 173.2 | -89.2 | -175.3 | 176.8 | -178.3 | 0 | 112.1 | K209 Q210 G215 G216 L217 | K209-K213 PolarHBondContact O-N 3.39Å; Q210-K213 PolarHBondContact O-N 2.94Å; K213-G215 VanDerWaalsContact C-N 3.33Å; K213-G215 PolarHBondContact O-N 3.4Å; K213-G216 WeakPolarHBondContact O-CA 3.24Å; K213-G216 PolarHBondContact O-N 2.98Å; K213-G216 VanDerWaalsContact O-N 3.14Å; K213-L217 WeakPolarHBondContact O-CG 3.29Å; K213-L217 PolarHBondContact O-N 3.45Å |
| 214 | L | 92.1 | Very high | 89.8 | Confident | 109 Ų | 109 | 99 Ų | 99 | 57% | 0.571 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.7 | -42.1 | 179.6 | -170.6 | 68.7 | 0 | 0 | 0 | 110.7 | Q210 V211 G216 L217 C218 | Q210-L214 WeakPolarHBondContact O-CB 3.41Å; Q210-L214 PolarHBondContact O-N 2.89Å; V211-L214 PolarHBondContact O-N 3.44Å; L214-G216 VanDerWaalsContact C-N 3.29Å; L214-G216 PolarHBondContact O-N 2.91Å; L214-L217 PolarHBondContact O-N 2.82Å; L214-C218 WeakPolarHBondContact O-CB 3.15Å; L214-C218 PolarHBondContact O-N 2.88Å; L214-C218 PolarHBondContact O-SG 3.38Å; L214-C218 VanDerWaalsContact O-SG 3.34Å |
| 215 | G | 88.7 | Confident | 88.8 | Confident | 21 Ų | 21 | 100.4 Ų | 100.4 | 22% | 0.216 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -60.4 | -38.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V211 E212 K213 R219 | V211-G215 WeakPolarHBondContact O-CA 3.49Å; V211-G215 PolarHBondContact O-N 3.38Å; E212-G215 PolarHBondContact O-N 3.07Å; K213-G215 VanDerWaalsContact C-N 3.33Å; K213-G215 PolarHBondContact O-N 3.4Å; G215-R219 WeakPolarHBondContact O-CB 3.19Å; G215-R219 WeakPolarHBondContact O-CG 3.16Å; G215-R219 PolarHBondContact O-N 3.14Å |
| 216 | G | 89.8 | Confident | 87.6 | Confident | 30 Ų | 30 | 100.9 Ų | 100.9 | 31% | 0.309 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.4 | -47.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E212 K213 L214 R219 A220 | E212-G216 PolarHBondContact O-N 3.21Å; K213-G216 WeakPolarHBondContact O-CA 3.24Å; K213-G216 PolarHBondContact O-N 2.98Å; K213-G216 VanDerWaalsContact O-N 3.14Å; L214-G216 VanDerWaalsContact C-N 3.29Å; L214-G216 PolarHBondContact O-N 2.91Å; G216-R219 PolarHBondContact O-N 2.88Å; G216-A220 PolarHBondContact O-N 2.82Å |
| 217 | L | 91.5 | Very high | 86.4 | Confident | 118 Ų | 118 | 102.4 Ų | 102.4 | 62% | 0.618 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.1 | -43.8 | 176.5 | -69.5 | 171.6 | 0 | 0 | 0 | 112.1 | K213 L214 R219 A220 L221 | K213-L217 WeakPolarHBondContact O-CG 3.29Å; K213-L217 PolarHBondContact O-N 3.45Å; L214-L217 PolarHBondContact O-N 2.82Å; L217-R219 VanDerWaalsContact C-N 3.32Å; L217-R219 PolarHBondContact O-N 3.27Å; L217-A220 PolarHBondContact O-N 3Å; L217-L221 WeakPolarHBondContact O-CB 3.18Å; L217-L221 PolarHBondContact O-N 3Å |
| 218 | C | 88.5 | Confident | 84.8 | Confident | 68 Ų | 68 | 106 Ų | 106 | 46% | 0.459 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.9 | -37 | 177 | -75.4 | 0 | 0 | 0 | 0 | 112.2 | L214 K222 | L214-C218 WeakPolarHBondContact O-CB 3.15Å; L214-C218 PolarHBondContact O-N 2.88Å; L214-C218 PolarHBondContact O-SG 3.38Å; L214-C218 VanDerWaalsContact O-SG 3.34Å; C218-K222 WeakPolarHBondContact O-CB 3.11Å; C218-K222 WeakPolarHBondContact O-CG 3.23Å; C218-K222 PolarHBondContact O-N 3.2Å |
| 219 | R | 87.9 | Confident | 82.9 | Confident | 155 Ų | 155 | 107.2 Ų | 107.2 | 59% | 0.585 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.7 | -49 | 171.8 | -77.4 | -175.1 | -68.1 | -97 | 0.6 | 111.1 | G215 G216 L217 L221 K222 D223 | G215-R219 WeakPolarHBondContact O-CB 3.19Å; G215-R219 WeakPolarHBondContact O-CG 3.16Å; G215-R219 PolarHBondContact O-N 3.14Å; G216-R219 PolarHBondContact O-N 2.88Å; L217-R219 VanDerWaalsContact C-N 3.32Å; L217-R219 PolarHBondContact O-N 3.27Å; R219-L221 VanDerWaalsContact C-N 3.3Å; R219-L221 PolarHBondContact O-N 3.03Å; R219-K222 WeakPolarHBondContact O-CB 3.34Å; R219-K222 PolarHBondContact O-N 3.09Å; R219-K222 VanDerWaalsContact O-N 3.17Å; R219-D223 VanDerWaalsContact O-CG 3.24Å; R219-D223 PolarHBondContact O-N 3.35Å |
| 220 | A | 84.2 | Confident | 80.9 | Confident | 44 Ų | 44 | 107.6 Ų | 107.6 | 36% | 0.364 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.5 | -38.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | G216 L217 D223 Q224 | G216-A220 PolarHBondContact O-N 2.82Å; L217-A220 PolarHBondContact O-N 3Å; A220-D223 PolarHBondContact O-N 3.45Å; A220-Q224 WeakPolarHBondContact O-CG 3.39Å; A220-Q224 PolarHBondContact O-N 2.98Å |
| 221 | L | 82.4 | Confident | 78.7 | Confident | 111 Ų | 111 | 104.9 Ų | 104.9 | 58% | 0.581 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -69.3 | -41 | 177.3 | -155.2 | 80.8 | 0 | 0 | 0 | 111.3 | L217 R219 D223 Q224 L225 | L217-L221 WeakPolarHBondContact O-CB 3.18Å; L217-L221 PolarHBondContact O-N 3Å; R219-L221 VanDerWaalsContact C-N 3.3Å; R219-L221 PolarHBondContact O-N 3.03Å; L221-D223 VanDerWaalsContact C-N 3.33Å; L221-Q224 PolarHBondContact O-N 2.88Å; L221-L225 WeakPolarHBondContact O-CB 3.37Å; L221-L225 PolarHBondContact O-N 3.01Å |
| 222 | K | 82.4 | Confident | 76.2 | Confident | 145 Ų | 145 | 110.2 Ų | 110.2 | 63% | 0.63 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.2 | -40.4 | 171.8 | -85.5 | 179.3 | 176.8 | 175.6 | 0 | 111.7 | C218 R219 L225 N226 | C218-K222 WeakPolarHBondContact O-CB 3.11Å; C218-K222 WeakPolarHBondContact O-CG 3.23Å; C218-K222 PolarHBondContact O-N 3.2Å; R219-K222 WeakPolarHBondContact O-CB 3.34Å; R219-K222 PolarHBondContact O-N 3.09Å; R219-K222 VanDerWaalsContact O-N 3.17Å; K222-L225 PolarHBondContact O-N 3.38Å; K222-N226 WeakPolarHBondContact O-CB 3.34Å; K222-N226 VanDerWaalsContact O-CG 3.25Å; K222-N226 PolarHBondContact O-N 3.18Å; K222-N226 PolarHBondContact O-ND2 3.42Å |
| 223 | D | 78.6 | Confident | 73.6 | Confident | 100 Ų | 100 | 110.7 Ų | 110.7 | 54% | 0.535 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 177 | -67.1 | -24 | 0 | 0 | 0 | 110.7 | R219 A220 L221 N226 E227 | R219-D223 VanDerWaalsContact O-CG 3.24Å; R219-D223 PolarHBondContact O-N 3.35Å; A220-D223 PolarHBondContact O-N 3.45Å; L221-D223 VanDerWaalsContact C-N 3.33Å; D223-N226 PolarHBondContact O-N 2.82Å; D223-E227 WeakPolarHBondContact O-CB 3.3Å; D223-E227 PolarHBondContact O-N 3.1Å |
| 224 | Q | 77.2 | Confident | 71.2 | Confident | 125 Ų | 125 | 107.8 Ų | 107.8 | 58% | 0.584 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64 | -39.8 | 172.9 | -71 | -178.1 | 21.1 | 0 | 0 | 113.2 | A220 L221 E227 L228 | A220-Q224 WeakPolarHBondContact O-CG 3.39Å; A220-Q224 PolarHBondContact O-N 2.98Å; L221-Q224 PolarHBondContact O-N 2.88Å; Q224-E227 PolarHBondContact O-N 2.6Å; Q224-L228 WeakPolarHBondContact O-CB 3.29Å; Q224-L228 VanDerWaalsContact O-CG 3.32Å; Q224-L228 WeakPolarHBondContact O-CG 3.33Å; Q224-L228 PolarHBondContact O-N 2.84Å |
| 225 | L | 72.1 | Confident | 68.5 | Low | 104 Ų | 104 | 110.6 Ų | 110.6 | 55% | 0.545 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.8 | -39.5 | 177.3 | -117.1 | 157.1 | 0 | 0 | 0 | 111.9 | L221 K222 E227 L228 R229 | L221-L225 WeakPolarHBondContact O-CB 3.37Å; L221-L225 PolarHBondContact O-N 3.01Å; K222-L225 PolarHBondContact O-N 3.38Å; L225-E227 VanDerWaalsContact C-N 3.33Å; L225-L228 PolarHBondContact O-N 3.48Å; L225-R229 WeakPolarHBondContact O-CB 3.36Å; L225-R229 PolarHBondContact O-N 3.48Å |
| 226 | N | 72 | Confident | 65.7 | Low | 95 Ų | 95 | 118.6 Ų | 118.6 | 51% | 0.508 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.7 | -38.6 | 173.4 | -73.9 | -22.9 | 0 | 0 | 0 | 110.9 | K222 D223 R229 K230 | K222-N226 WeakPolarHBondContact O-CB 3.34Å; K222-N226 VanDerWaalsContact O-CG 3.25Å; K222-N226 PolarHBondContact O-N 3.18Å; K222-N226 PolarHBondContact O-ND2 3.42Å; D223-N226 PolarHBondContact O-N 2.82Å; N226-R229 PolarHBondContact O-N 2.99Å; N226-K230 PolarHBondContact O-N 3.35Å |
| 227 | E | 68.2 | Low | 62.9 | Low | 110 Ų | 110 | 125.1 Ų | 125.1 | 51% | 0.514 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.2 | -35.4 | 175.9 | -148 | 58.4 | -156.8 | 0 | 0 | 112.3 | D223 Q224 L225 K230 P231 | D223-E227 WeakPolarHBondContact O-CB 3.3Å; D223-E227 PolarHBondContact O-N 3.1Å; Q224-E227 PolarHBondContact O-N 2.6Å; L225-E227 VanDerWaalsContact C-N 3.33Å; E227-K230 IonicContact OE1-NZ 3.67Å; E227-K230 PolarHBondContact OE1-NZ 2.86Å; E227-K230 IonicContact OE2-NZ 3.42Å; E227-K230 PolarHBondContact OE2-NZ 3.3Å; E227-P231 WeakPolarHBondContact O-CD 3.47Å |
| 228 | L | 60.8 | Low | 60.1 | Low | 123 Ų | 123 | 124.5 Ų | 124.5 | 64% | 0.644 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -74.8 | -23.3 | 172 | -71.4 | 171.2 | 0 | 0 | 0 | 113.7 | Q224 L225 P231 | Q224-L228 WeakPolarHBondContact O-CB 3.29Å; Q224-L228 VanDerWaalsContact O-CG 3.32Å; Q224-L228 WeakPolarHBondContact O-CG 3.33Å; Q224-L228 PolarHBondContact O-N 2.84Å; L225-L228 PolarHBondContact O-N 3.48Å; L228-P231 VanDerWaalsContact O-CD 3.31Å; L228-P231 WeakPolarHBondContact O-CD 3.31Å; L228-P231 WeakPolarHBondContact O-CG 3.39Å |
| 229 | R | 56.5 | Low | 57.2 | Low | 158 Ų | 158 | 130.1 Ų | 130.1 | 60% | 0.596 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -78 | -31 | 177.2 | -165 | 176.5 | -168.5 | 119.2 | -0.6 | 112.2 | L225 N226 P231 R232 Q233 | L225-R229 WeakPolarHBondContact O-CB 3.36Å; L225-R229 PolarHBondContact O-N 3.48Å; N226-R229 PolarHBondContact O-N 2.99Å; R229-P231 VanDerWaalsContact C-N 3.34Å; R229-R232 PolarHBondContact O-N 3.37Å; R229-Q233 PolarHBondContact O-N 3.38Å |
| 230 | K | 53.1 | Low | 54.2 | Low | 125 Ų | 125 | 130 Ų | 130 | 54% | 0.543 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -50.3 | -44.7 | 175.5 | -80.6 | 175.5 | -177.7 | 161 | 0 | 113.2 | N226 E227 R232 | N226-K230 PolarHBondContact O-N 3.35Å; E227-K230 IonicContact OE1-NZ 3.67Å; E227-K230 PolarHBondContact OE1-NZ 2.86Å; E227-K230 IonicContact OE2-NZ 3.42Å; E227-K230 PolarHBondContact OE2-NZ 3.3Å; K230-R232 VanDerWaalsContact C-N 3.35Å; K230-R232 PolarHBondContact O-N 3.4Å |
| 231 | P | 47 | Very low | 51.5 | Low | 81 Ų | 81 | 135.4 Ų | 135.4 | 53% | 0.526 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -75.8 | -10.1 | 176.4 | 23.5 | -30.9 | 0 | 0 | 0 | 115.8 | E227 L228 R229 | E227-P231 WeakPolarHBondContact O-CD 3.47Å; L228-P231 VanDerWaalsContact O-CD 3.31Å; L228-P231 WeakPolarHBondContact O-CD 3.31Å; L228-P231 WeakPolarHBondContact O-CG 3.39Å; R229-P231 VanDerWaalsContact C-N 3.34Å |
| 232 | R | 41.9 | Very low | 49 | Very low | 212 Ų | 212 | 136.5 Ų | 136.5 | 80% | 0.8 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -90.9 | -20.6 | 174.8 | -81.9 | -168 | -177.5 | -171.6 | 2.3 | 114.5 | R229 K230 | R229-R232 PolarHBondContact O-N 3.37Å; K230-R232 VanDerWaalsContact C-N 3.35Å; K230-R232 PolarHBondContact O-N 3.4Å |
| 233 | Q | 38.2 | Very low | 46.5 | Very low | 126 Ų | 126 | 133.8 Ų | 133.8 | 59% | 0.589 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -77.5 | -30.3 | 176.8 | -138 | 118.7 | -5.2 | 0 | 0 | 111.5 | R229 Q235 | R229-Q233 PolarHBondContact O-N 3.38Å; Q233-Q235 PolarHBondContact O-N 2.83Å; Q233-Q235 VanDerWaalsContact O-N 3.16Å |
| 234 | C | 42.1 | Very low | 44.2 | Very low | 104 Ų | 104 | 138.7 Ų | 138.7 | 70% | 0.703 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -0.9 | 178.5 | -67.5 | 0 | 0 | 0 | 0 | 115.9 | ||
| 235 | Q | 34.8 | Very low | 41.7 | Very low | 167 Ų | 167 | 141.9 Ų | 141.9 | 78% | 0.78 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.3 | 1.3 | -179.4 | -85.3 | -171.6 | -28 | 0 | 0 | 115.7 | Q233 | Q233-Q235 PolarHBondContact O-N 2.83Å; Q233-Q235 VanDerWaalsContact O-N 3.16Å |
| 236 | K | 31.6 | Very low | 39.5 | Very low | 190 Ų | 190 | 143.3 Ų | 143.3 | 83% | 0.826 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -109.7 | 5.6 | 173.5 | -72.6 | -170.3 | 177 | -173.3 | 0 | 114.7 | S238 | K236-S238 PolarHBondContact O-N 2.86Š|
| 237 | E | 30.9 | Very low | 37.5 | Very low | 167 Ų | 167 | 146.8 Ų | 146.8 | 78% | 0.78 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -84.1 | 17.3 | 171.5 | -79.7 | 178.7 | 162.6 | 0 | 0 | 113.8 | ||
| 238 | S | 31.2 | Very low | 35.5 | Very low | 105 Ų | 105 | 149.4 Ų | 149.4 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -139 | 61.3 | 175.5 | -64.7 | 0 | 0 | 0 | 0 | 111.8 | K236 | K236-S238 PolarHBondContact O-N 2.86Š|
| 239 | Q | 28 | Very low | 33.8 | Very low | 186 Ų | 186 | 151 Ų | 151 | 87% | 0.869 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -176.7 | 122.9 | 140 | -100 | 161.7 | 4 | 0 | 0 | 110.5 | ||
| 240 | N | 25.8 | Very low | 32.5 | Very low | 152 Ų | 152 | 150.1 Ų | 150.1 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | trans | 74.9 | 87.8 | 170 | -118.7 | -59.2 | 0 | 0 | 0 | 114.6 | ||||
| 241 | L | 27.3 | Very low | 31.4 | Very low | 157 Ų | 157 | 150 Ų | 150 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | cis | 49.1 | 91.7 | 43.5 | -77.3 | 179.5 | 0 | 0 | 0 | 115.4 | ||||
| 242 | V | 28.5 | Very low | 30.6 | Very low | 134 Ų | 134 | 151.8 Ų | 151.8 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | 90.2 | 89.3 | 142.1 | -165.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 243 | A | 30.2 | Very low | 29.9 | Very low | 88 Ų | 88 | 147.6 Ų | 147.6 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -157.4 | 124.8 | 139.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 244 | K | 31.7 | Very low | 29.6 | Very low | 203 Ų | 203 | 146 Ų | 146 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | 80.4 | 81.3 | 158.4 | -59.2 | -175.6 | -179.5 | -174.4 | 0 | 117.1 | ||||
| 245 | Q | 24.8 | Very low | 29.3 | Very low | 192 Ų | 192 | 145.6 Ų | 145.6 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | -38.6 | 139.2 | 128.8 | -64.4 | 165.6 | -36.5 | 0 | 0 | 111.4 | |||||
| 246 | N | 25.8 | Very low | 29.3 | Very low | 134 Ų | 134 | 142.1 Ų | 142.1 | 72% | 0.717 | 78% | 0.778 | S | S | * | * | trans | 136.8 | 145.8 | 135.9 | -151.6 | 29.2 | 0 | 0 | 0 | 112.2 | ||||
| 247 | E | 29 | Very low | 29.3 | Very low | 168 Ų | 168 | 139 Ų | 139 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | 74.8 | 91.5 | 173.6 | -63.3 | 170.3 | 163.6 | 0 | 0 | 113.6 | ||||
| 248 | Q | 26.2 | Very low | 29.5 | Very low | 166 Ų | 166 | 135.5 Ų | 135.5 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | 56 | 116.1 | 54.4 | -150.1 | 175.4 | -21.2 | 0 | 0 | 112.3 | |||||
| 249 | E | 26.1 | Very low | 29.4 | Very low | 156 Ų | 156 | 135.7 Ų | 135.7 | 73% | 0.729 | 77% | 0.769 | S | S | * | * | trans | 86.7 | 143.2 | 153.5 | -125.6 | 176.7 | 156.3 | 0 | 0 | 119 | ||||
| 250 | L | 27.7 | Very low | 29.6 | Very low | 139 Ų | 139 | 131.6 Ų | 131.6 | 73% | 0.728 | 76% | 0.759 | S | S | * | * | trans | 80.8 | 107.9 | 163 | -58.1 | 133 | 0 | 0 | 0 | 116.2 | ||||
| 251 | T | 31.6 | Very low | 29.9 | Very low | 122 Ų | 122 | 129.1 Ų | 129.1 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | -176.1 | 116 | 89 | 32.4 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 252 | S | 28.6 | Very low | 30.3 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | trans | -48.5 | 134.2 | 151 | -39.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 253 | T | 27.6 | Very low | 31.2 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 76% | 0.761 | 75% | 0.751 | S | S | * | * | trans | -162 | 128.1 | 153.6 | -7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 254 | A | 31.4 | Very low | 31.7 | Very low | 93 Ų | 93 | 136.4 Ų | 136.4 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | 67.1 | 142.2 | 146.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 255 | S | 36.9 | Very low | 32.6 | Very low | 95 Ų | 95 | 131.4 Ų | 131.4 | 66% | 0.664 | 75% | 0.746 | S | S | * | * | cis | -159.4 | 129 | 3.3 | -142 | 0 | 0 | 0 | 0 | 102.2 | ||||
| 256 | S | 34.1 | Very low | 32.9 | Very low | 95 Ų | 95 | 125 Ų | 125 | 66% | 0.664 | 73% | 0.732 | S | S | * | * | 65.1 | 101.6 | 103.3 | -52 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 257 | T | 33 | Very low | 33.7 | Very low | 125 Ų | 125 | 125.9 Ų | 125.9 | 77% | 0.767 | 74% | 0.736 | S | S | * | * | 99.8 | 95 | 95 | -65 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 258 | S | 35 | Very low | 34.3 | Very low | 93 Ų | 93 | 125.4 Ų | 125.4 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | 56.9 | 100 | 81.8 | 179.8 | 0 | 0 | 0 | 0 | 111 | |||||
| 259 | C | 29.1 | Very low | 35.3 | Very low | 109 Ų | 109 | 123 Ų | 123 | 74% | 0.736 | 74% | 0.736 | S | S | * | * | 173.5 | 110.1 | 119.3 | -110.6 | 0 | 0 | 0 | 0 | 105.4 | |||||
| 260 | C | 31.9 | Very low | 36 | Very low | 99 Ų | 99 | 121.7 Ų | 121.7 | 67% | 0.669 | 73% | 0.734 | S | S | * | * | 69.5 | 132.9 | 76.3 | -68.2 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 261 | C | 32.2 | Very low | 36.5 | Very low | 100 Ų | 100 | 121.1 Ų | 121.1 | 68% | 0.676 | 73% | 0.731 | S | S | * | * | trans | 91 | 100 | 151.7 | -53.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 262 | H | 35.9 | Very low | 37.2 | Very low | 161 Ų | 161 | 124 Ų | 124 | 75% | 0.745 | 74% | 0.736 | S | S | * | * | 87 | 111 | 84.9 | -80.8 | 100.6 | 0 | 0 | 0 | 107 | |||||
| 263 | H | 45.6 | Very low | 37.7 | Very low | 184 Ų | 184 | 124.4 Ų | 124.4 | 85% | 0.852 | 73% | 0.725 | S | S | * | * | -159.7 | 90.8 | 129.4 | -87.5 | 97.7 | 0 | 0 | 0 | 104.9 | P265 | H263-P265 WeakPolarHBondContact O-CD 3.31Š| |||
| 264 | H | 41.1 | Very low | 38.1 | Very low | 188 Ų | 188 | 126 Ų | 126 | 87% | 0.87 | 72% | 0.723 | S | S | * | * | trans | -86.3 | 108.5 | 147.8 | -121.1 | -74.6 | 0 | 0 | 0 | 104.5 | ||||
| 265 | P | 50.1 | Low | 38.7 | Very low | 98 Ų | 98 | 128 Ų | 128 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | trans | -83.9 | 105.7 | 150.9 | 5.9 | 14.4 | 0 | 0 | 0 | 105.6 | H263 | H263-P265 WeakPolarHBondContact O-CD 3.31Š| ||
| 266 | G | 32.6 | Very low | 38.8 | Very low | 58 Ų | 58 | 132.8 Ų | 132.8 | 60% | 0.598 | 73% | 0.731 | S | S | * | * | trans | -74.5 | 122.3 | 145.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 267 | D | 42.7 | Very low | 39.1 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 81% | 0.807 | 73% | 0.734 | S | S | * | * | trans | -104.1 | 76.7 | 150.8 | -76 | -39.8 | 0 | 0 | 0 | 105.9 | ||||
| 268 | D | 41.3 | Very low | 39.4 | Very low | 158 Ų | 158 | 133.9 Ų | 133.9 | 85% | 0.845 | 73% | 0.733 | S | S | * | * | trans | -92.9 | 102.3 | 148.5 | -82.1 | -55 | 0 | 0 | 0 | 105.5 | ||||
| 269 | V | 46 | Very low | 39.6 | Very low | 117 Ų | 117 | 137.2 Ų | 137.2 | 71% | 0.709 | 74% | 0.738 | S | S | * | * | trans | -163.9 | 142 | 155.5 | -103.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 270 | D | 42.5 | Very low | 40.1 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 68% | 0.684 | 74% | 0.742 | S | S | * | * | trans | 88.9 | 62 | 158.4 | -53.8 | -28.2 | 0 | 0 | 0 | 118.3 | H272 | D270-H272 PolarHBondContact O-N 3.31Å; D270-H272 VanDerWaalsContact O-N 3.14Å | ||
| 271 | D | 37.5 | Very low | 40.5 | Very low | 126 Ų | 126 | 141.9 Ų | 141.9 | 67% | 0.674 | 75% | 0.745 | S | S | * | * | -22.7 | 96 | 116.5 | -170.9 | 21.7 | 0 | 0 | 0 | 114.2 | H273 | D271-H273 IonicContact OD1-CD2 3.73Å; D271-H273 PolarHBondContact OD1-N 2.88Å; D271-H273 IonicContact OD2-CD2 3.27Å; D271-H273 PolarHBondContact OD2-CD2 3.31Å | |||
| 272 | H | 45.1 | Very low | 40.7 | Very low | 183 Ų | 183 | 146.2 Ų | 146.2 | 85% | 0.847 | 75% | 0.752 | S | S | * | * | trans | -107.4 | 79.8 | 152.3 | -97.3 | -56.4 | 0 | 0 | 0 | 109.5 | D270 | D270-H272 PolarHBondContact O-N 3.31Å; D270-H272 VanDerWaalsContact O-N 3.14Å | ||
| 273 | H | 40.3 | Very low | 40.7 | Very low | 128 Ų | 128 | 146.5 Ų | 146.5 | 59% | 0.593 | 75% | 0.754 | S | S | * | * | trans | -9.4 | 131.1 | 141.1 | -109.5 | -79.6 | 0 | 0 | 0 | 116.8 | D271 | D271-H273 IonicContact OD1-CD2 3.73Å; D271-H273 PolarHBondContact OD1-N 2.88Å; D271-H273 IonicContact OD2-CD2 3.27Å; D271-H273 PolarHBondContact OD2-CD2 3.31Å | ||
| 274 | H | 35.9 | Very low | 40.6 | Very low | 158 Ų | 158 | 145.8 Ų | 145.8 | 73% | 0.731 | 75% | 0.748 | S | S | * | * | trans | 33.5 | 130.3 | 136.2 | -81.7 | 24.4 | 0 | 0 | 0 | 117.9 | ||||
| 275 | L | 43.1 | Very low | 40.5 | Very low | 135 Ų | 135 | 143.5 Ų | 143.5 | 71% | 0.707 | 75% | 0.748 | S | S | * | * | -163.6 | 125.5 | 74 | -81.8 | 163.8 | 0 | 0 | 0 | 109.8 | |||||
| 276 | H | 40.5 | Very low | 40.3 | Very low | 194 Ų | 194 | 143.7 Ų | 143.7 | 90% | 0.898 | 75% | 0.747 | S | S | * | * | trans | -95.1 | 76.6 | 161.6 | -151.3 | -88.6 | 0 | 0 | 0 | 106.4 | A278 | H276-A278 PolarHBondContact O-N 2.85Š| ||
| 277 | E | 40.1 | Very low | 40.8 | Very low | 155 Ų | 155 | 147.3 Ų | 147.3 | 72% | 0.724 | 75% | 0.752 | S | S | * | * | trans | -78 | 106 | 171 | -92.4 | -172.4 | 156.6 | 0 | 0 | 109.2 | E279 | E277-E279 VanDerWaalsContact C-N 3.34Å; E277-E279 PolarHBondContact O-N 3.37Å | ||
| 278 | A | 38.7 | Very low | 40.8 | Very low | 89 Ų | 89 | 146.3 Ų | 146.3 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | trans | -68.4 | 90.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | H276 K280 | H276-A278 PolarHBondContact O-N 2.85Å; A278-K280 PolarHBondContact O-N 3.23Å | ||
| 279 | E | 39.5 | Very low | 40.9 | Very low | 162 Ų | 162 | 142.2 Ų | 142.2 | 76% | 0.757 | 73% | 0.731 | S | S | * | * | trans | -71.1 | 102.5 | 164 | -81.1 | -162.7 | 148.1 | 0 | 0 | 109.8 | E277 T281 | E277-E279 VanDerWaalsContact C-N 3.34Å; E277-E279 PolarHBondContact O-N 3.37Å; E279-T281 PolarHBondContact O-N 3.41Å | ||
| 280 | K | 39.4 | Very low | 40.9 | Very low | 187 Ų | 187 | 144.1 Ų | 144.1 | 81% | 0.813 | 73% | 0.734 | S | S | * | * | trans | -74 | 73.3 | 169.5 | -162.1 | 178.5 | -168.5 | 175.1 | 0 | 108.7 | A278 K282 | A278-K280 PolarHBondContact O-N 3.23Å; K280-K282 VanDerWaalsContact C-N 3.32Å; K280-K282 PolarHBondContact O-N 2.9Å | ||
| 281 | T | 40.3 | Very low | 41.2 | Very low | 120 Ų | 120 | 146.2 Ų | 146.2 | 74% | 0.736 | 74% | 0.737 | S | S | * | * | trans | -74.5 | 89.6 | 168.4 | 34 | 0 | 0 | 0 | 0 | 109.5 | E279 E283 | E279-T281 PolarHBondContact O-N 3.41Å; T281-E283 VanDerWaalsContact C-N 3.33Å; T281-E283 PolarHBondContact O-N 3.34Å; T281-E283 VanDerWaalsContact O-N 3.11Å | ||
| 282 | K | 36.6 | Very low | 41.5 | Very low | 190 Ų | 190 | 146.4 Ų | 146.4 | 83% | 0.826 | 74% | 0.738 | S | S | * | * | trans | -63.6 | 94.6 | 153.1 | -83.5 | 179.1 | 171.2 | -179.2 | 0 | 107.6 | K280 | K280-K282 VanDerWaalsContact C-N 3.32Å; K280-K282 PolarHBondContact O-N 2.9Å | ||
| 283 | E | 35.8 | Very low | 41.5 | Very low | 168 Ų | 168 | 142.8 Ų | 142.8 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | trans | -145.8 | 99.2 | 157.2 | -151.1 | 159.2 | -169.4 | 0 | 0 | 112.4 | T281 | T281-E283 VanDerWaalsContact C-N 3.33Å; T281-E283 PolarHBondContact O-N 3.34Å; T281-E283 VanDerWaalsContact O-N 3.11Å | ||
| 284 | K | 43.5 | Very low | 41.7 | Very low | 169 Ų | 169 | 143.3 Ų | 143.3 | 74% | 0.735 | 74% | 0.74 | S | S | * | * | trans | 64.2 | 94.5 | 136 | -142.8 | 167.5 | -173.4 | 177.2 | 0 | 115.8 | V286 | K284-V286 VanDerWaalsContact C-N 3.28Å; K284-V286 PolarHBondContact O-N 3.49Å | ||
| 285 | T | 39.1 | Very low | 41.9 | Very low | 140 Ų | 140 | 143.7 Ų | 143.7 | 86% | 0.859 | 75% | 0.747 | S | S | * | * | trans | -45 | 95.9 | 146.5 | -51.3 | 0 | 0 | 0 | 0 | 108.7 | D287 | T285-D287 PolarHBondContact O-N 2.83Š| ||
| 286 | V | 46.4 | Very low | 41.8 | Very low | 101 Ų | 101 | 143.3 Ų | 143.3 | 61% | 0.612 | 74% | 0.744 | S | S | * | * | trans | -81.5 | 102 | 162.3 | 178.2 | 0 | 0 | 0 | 0 | 104.6 | K284 N288 | K284-V286 VanDerWaalsContact C-N 3.28Å; K284-V286 PolarHBondContact O-N 3.49Å; V286-N288 WeakPolarHBondContact CG1-OD1 3.23Å; V286-N288 PolarHBondContact O-N 2.83Å | ||
| 287 | D | 43.5 | Very low | 42.2 | Very low | 135 Ų | 135 | 142.8 Ų | 142.8 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | trans | -57.2 | 91.1 | 164.8 | -172.2 | 3.2 | 0 | 0 | 0 | 107.8 | T285 S289 | T285-D287 PolarHBondContact O-N 2.83Å; D287-S289 PolarHBondContact O-N 3.43Å; D287-S289 PolarHBondContact OD1-N 2.91Å | ||
| 288 | N | 41.6 | Very low | 42.5 | Very low | 130 Ų | 130 | 143 Ų | 143 | 70% | 0.695 | 74% | 0.743 | S | S | * | * | trans | -73.3 | 68 | 165.6 | -81 | -2.2 | 0 | 0 | 0 | 107.6 | V286 M290 | V286-N288 WeakPolarHBondContact CG1-OD1 3.23Å; V286-N288 PolarHBondContact O-N 2.83Å; N288-M290 PolarHBondContact O-N 3.36Å | ||
| 289 | S | 44.1 | Very low | 42.6 | Very low | 72 Ų | 72 | 145.8 Ų | 145.8 | 50% | 0.503 | 75% | 0.745 | S | S | . | * | trans | -65.5 | 87.1 | 159.7 | 165.7 | 0 | 0 | 0 | 0 | 106.7 | D287 K291 | D287-S289 PolarHBondContact O-N 3.43Å; D287-S289 PolarHBondContact OD1-N 2.91Å; S289-K291 PolarHBondContact O-N 3.43Å | ||
| 290 | M | 44.6 | Very low | 42.9 | Very low | 156 Ų | 156 | 143.5 Ų | 143.5 | 77% | 0.768 | 74% | 0.738 | S | S | * | * | trans | -54.9 | 87.5 | 161 | -76 | 174.8 | 167.4 | 0 | 0 | 107.9 | N288 D292 | N288-M290 PolarHBondContact O-N 3.36Å; M290-D292 PolarHBondContact O-N 3.3Å | ||
| 291 | K | 50.5 | Low | 43.2 | Very low | 173 Ų | 173 | 140.7 Ų | 140.7 | 75% | 0.752 | 73% | 0.732 | S | S | * | * | trans | -76.8 | 73.8 | 157.1 | -78.1 | 179.5 | 178.7 | 176.7 | 0 | 106 | S289 S293 | S289-K291 PolarHBondContact O-N 3.43Å; K291-S293 PolarHBondContact O-N 3.32Å; K291-S293 PolarHBondContact O-OG 2.84Å | ||
| 292 | D | 42.9 | Very low | 43.4 | Very low | 129 Ų | 129 | 140.9 Ų | 140.9 | 69% | 0.69 | 73% | 0.729 | S | S | * | * | trans | -58 | 96.5 | 161.7 | -82 | -27.7 | 0 | 0 | 0 | 106.7 | M290 N294 | M290-D292 PolarHBondContact O-N 3.3Å; D292-N294 PolarHBondContact O-N 2.91Å | ||
| 293 | S | 45.9 | Very low | 43.6 | Very low | 107 Ų | 107 | 138.7 Ų | 138.7 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | trans | -72.5 | 76.3 | 171.1 | -60.2 | 0 | 0 | 0 | 0 | 106.6 | K291 L295 | K291-S293 PolarHBondContact O-N 3.32Å; K291-S293 PolarHBondContact O-OG 2.84Å; S293-L295 PolarHBondContact O-N 2.82Å | ||
| 294 | N | 43 | Very low | 43.9 | Very low | 139 Ų | 139 | 136 Ų | 136 | 74% | 0.743 | 72% | 0.721 | S | S | * | * | trans | -67.4 | 72.8 | 158.2 | -96.6 | -25.6 | 0 | 0 | 0 | 107.4 | D292 I296 | D292-N294 PolarHBondContact O-N 2.91Å; N294-I296 HydrophobicContact CB-CG1 4.5Å; N294-I296 PolarHBondContact O-N 3.34Å | ||
| 295 | L | 40.4 | Very low | 43.4 | Very low | 167 Ų | 167 | 135 Ų | 135 | 87% | 0.874 | 72% | 0.724 | S | S | * | * | trans | -80.2 | 78.6 | 164.6 | -150.9 | 76.5 | 0 | 0 | 0 | 106.6 | S293 H297 | S293-L295 PolarHBondContact O-N 2.82Å; L295-H297 PolarHBondContact O-N 3.44Å | ||
| 296 | I | 41.8 | Very low | 43.4 | Very low | 126 Ų | 126 | 135.4 Ų | 135.4 | 65% | 0.646 | 72% | 0.72 | S | S | * | * | trans | -57.2 | 123.4 | 172.5 | -70.6 | 170.6 | 0 | 0 | 0 | 107.6 | N294 Q298 | N294-I296 HydrophobicContact CB-CG1 4.5Å; N294-I296 PolarHBondContact O-N 3.34Å; I296-Q298 PolarHBondContact O-N 2.7Å | ||
| 297 | H | 47.8 | Very low | 42.8 | Very low | 183 Ų | 183 | 137.1 Ų | 137.1 | 85% | 0.847 | 73% | 0.726 | S | S | * | * | trans | -45.2 | 99.9 | 164.9 | -87.4 | -75.4 | 0 | 0 | 0 | 111 | L295 | L295-H297 PolarHBondContact O-N 3.44Š| ||
| 298 | Q | 48.2 | Very low | 42.4 | Very low | 161 Ų | 161 | 135.9 Ų | 135.9 | 75% | 0.752 | 73% | 0.728 | S | S | * | * | trans | -96.8 | 86.2 | 158.7 | -77 | 175.6 | -7.1 | 0 | 0 | 107.4 | I296 N300 | I296-Q298 PolarHBondContact O-N 2.7Å; Q298-N300 PolarHBondContact O-N 3.42Å; Q298-N300 VanDerWaalsContact O-N 3.1Å | ||
| 299 | N | 40.7 | Very low | 42.1 | Very low | 146 Ų | 146 | 134.9 Ų | 134.9 | 78% | 0.781 | 73% | 0.731 | S | S | * | * | trans | -77.5 | 79.9 | 166.7 | -168.7 | 20.1 | 0 | 0 | 0 | 107.3 | N301 | N299-N301 VanDerWaalsContact C-N 3.33Å; N299-N301 PolarHBondContact O-N 2.85Å | ||
| 300 | N | 45.7 | Very low | 41.5 | Very low | 114 Ų | 114 | 137.3 Ų | 137.3 | 61% | 0.61 | 74% | 0.743 | S | S | * | * | trans | -76.4 | 91.7 | 174.6 | -71.5 | -9.8 | 0 | 0 | 0 | 108.2 | Q298 D302 | Q298-N300 PolarHBondContact O-N 3.42Å; Q298-N300 VanDerWaalsContact O-N 3.1Å; N300-D302 VanDerWaalsContact C-N 3.26Å; N300-D302 PolarHBondContact O-N 3.43Å; N300-D302 VanDerWaalsContact O-N 3.17Å | ||
| 301 | N | 45.8 | Very low | 41 | Very low | 128 Ų | 128 | 135.6 Ų | 135.6 | 68% | 0.684 | 74% | 0.741 | S | S | * | * | trans | -80 | 81.2 | 165 | -159.6 | 29.6 | 0 | 0 | 0 | 106.9 | N299 N303 | N299-N301 VanDerWaalsContact C-N 3.33Å; N299-N301 PolarHBondContact O-N 2.85Å; N301-N303 PolarHBondContact O-N 3.26Å | ||
| 302 | D | 44.4 | Very low | 40.2 | Very low | 125 Ų | 125 | 134.4 Ų | 134.4 | 67% | 0.668 | 74% | 0.743 | S | S | * | * | trans | -71.2 | 80.5 | 176.6 | -74 | -30.4 | 0 | 0 | 0 | 109.8 | N300 T304 | N300-D302 VanDerWaalsContact C-N 3.26Å; N300-D302 PolarHBondContact O-N 3.43Å; N300-D302 VanDerWaalsContact O-N 3.17Å; D302-T304 PolarHBondContact O-N 2.79Å | ||
| 303 | N | 39.6 | Very low | 39.9 | Very low | 143 Ų | 143 | 136.7 Ų | 136.7 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | trans | -66.8 | 81.5 | 161.1 | -91.9 | -12.5 | 0 | 0 | 0 | 108.5 | N301 N305 | N301-N303 PolarHBondContact O-N 3.26Å; N303-N305 PolarHBondContact O-N 2.85Å; N303-N305 VanDerWaalsContact O-N 3.09Å | ||
| 304 | T | 41.8 | Very low | 39.3 | Very low | 111 Ų | 111 | 137.3 Ų | 137.3 | 68% | 0.681 | 75% | 0.754 | S | S | * | * | trans | -80.4 | 88.4 | 171.1 | 41.8 | 0 | 0 | 0 | 0 | 109.5 | D302 L306 | D302-T304 PolarHBondContact O-N 2.79Å; T304-L306 VanDerWaalsContact C-N 3.34Å; T304-L306 PolarHBondContact O-N 2.76Å | ||
| 305 | N | 34.2 | Very low | 38.9 | Very low | 148 Ų | 148 | 134 Ų | 134 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | trans | -68.5 | 89.2 | 163.2 | -179.1 | 3.8 | 0 | 0 | 0 | 108.8 | N303 N307 | N303-N305 PolarHBondContact O-N 2.85Å; N303-N305 VanDerWaalsContact O-N 3.09Å; N305-N307 PolarHBondContact O-N 2.72Å | ||
| 306 | L | 39.4 | Very low | 38.5 | Very low | 150 Ų | 150 | 131 Ų | 131 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | trans | -95.8 | 86.6 | 172.6 | -73.7 | 170.6 | 0 | 0 | 0 | 109.7 | T304 | T304-L306 VanDerWaalsContact C-N 3.34Å; T304-L306 PolarHBondContact O-N 2.76Å | ||
| 307 | N | 33.5 | Very low | 38.2 | Very low | 137 Ų | 137 | 133.7 Ų | 133.7 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | trans | -73.8 | 115.4 | 156 | 179.1 | 20.1 | 0 | 0 | 0 | 108 | N305 | N305-N307 PolarHBondContact O-N 2.72Š| ||
| 308 | S | 35.5 | Very low | 37.7 | Very low | 109 Ų | 109 | 130.6 Ų | 130.6 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | trans | -152.2 | 120 | 165.3 | -74.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 309 | S | 33.6 | Very low | 37 | Very low | 109 Ų | 109 | 130.4 Ų | 130.4 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | trans | -43.6 | 134.9 | -177.5 | -51.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 310 | T | 32.2 | Very low | 36.8 | Very low | 122 Ų | 122 | 130.4 Ų | 130.4 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | trans | -58.2 | 122.4 | 167.4 | -35.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 311 | T | 33.3 | Very low | 36.1 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | trans | -112.8 | 106.3 | 161.8 | -61.7 | 0 | 0 | 0 | 0 | 108.2 | Q313 | T311-Q313 PolarHBondContact O-N 2.88Š| ||
| 312 | N | 34.2 | Very low | 35.6 | Very low | 147 Ų | 147 | 132.3 Ų | 132.3 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | trans | -70.4 | 114.1 | 175.2 | -65.8 | -38.6 | 0 | 0 | 0 | 109.3 | ||||
| 313 | Q | 37.1 | Very low | 35.1 | Very low | 178 Ų | 178 | 134.9 Ų | 134.9 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -118 | 108.5 | 160.1 | -70.9 | -166.1 | 24.3 | 0 | 0 | 109.1 | T311 G315 | T311-Q313 PolarHBondContact O-N 2.88Å; Q313-G315 PolarHBondContact O-N 3.33Å | ||
| 314 | S | 33.5 | Very low | 35.3 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -71.1 | 110.4 | 169.9 | -175.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 315 | G | 33.5 | Very low | 35.1 | Very low | 70 Ų | 70 | 136.3 Ų | 136.3 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | -114.8 | 89.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q313 H317 | Q313-G315 PolarHBondContact O-N 3.33Å; G315-H317 PolarHBondContact O-N 2.83Å | ||
| 316 | S | 32.3 | Very low | 34.9 | Very low | 104 Ų | 104 | 133.1 Ų | 133.1 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -70.1 | 116.3 | 165.4 | -58.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 317 | H | 35.8 | Very low | 35 | Very low | 183 Ų | 183 | 132.2 Ų | 132.2 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | trans | -121.7 | 114 | 164.3 | -94.8 | 36.5 | 0 | 0 | 0 | 109.5 | G315 | G315-H317 PolarHBondContact O-N 2.83Š| ||
| 318 | S | 37.7 | Very low | 35 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -65.8 | 134.9 | -179.1 | -52.3 | 0 | 0 | 0 | 0 | 111.3 | N320 | S318-N320 PolarHBondContact O-N 3.14Š| ||
| 319 | N | 32.5 | Very low | 35.2 | Very low | 156 Ų | 156 | 134 Ų | 134 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | -67.2 | 121.3 | 172.5 | -64.5 | -29.7 | 0 | 0 | 0 | 109.8 | ||||
| 320 | N | 36.6 | Very low | 35.1 | Very low | 146 Ų | 146 | 136.7 Ų | 136.7 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | trans | -107 | 102.3 | 168.4 | -149.1 | 12.8 | 0 | 0 | 0 | 108.9 | S318 H322 | S318-N320 PolarHBondContact O-N 3.14Å; N320-H322 PolarHBondContact O-N 3.44Å | ||
| 321 | T | 30.9 | Very low | 35.4 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 77% | 0.767 | 79% | 0.787 | S | S | * | * | trans | -84.8 | 99.9 | 177.2 | -55.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 322 | H | 37 | Very low | 35.4 | Very low | 157 Ų | 157 | 140.6 Ų | 140.6 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -93.2 | 108.7 | 167 | -106.9 | -72.4 | 0 | 0 | 0 | 109.9 | N320 | N320-H322 PolarHBondContact O-N 3.44Š| ||
| 323 | K | 33.6 | Very low | 35.4 | Very low | 179 Ų | 179 | 138.8 Ų | 138.8 | 78% | 0.778 | 79% | 0.794 | S | S | * | * | trans | -65.1 | 131.1 | 157.8 | -81.8 | 177.4 | 170.9 | -179.4 | 0 | 108.3 | ||||
| 324 | T | 44 | Very low | 35.5 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -129.6 | 116.5 | 158.8 | 50.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 325 | D | 35.8 | Very low | 35.6 | Very low | 153 Ų | 153 | 140 Ų | 140 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -62.8 | 155.8 | 174.1 | -65.4 | -58.3 | 0 | 0 | 0 | 111.7 | ||||
| 326 | G | 31.3 | Very low | 35.8 | Very low | 81 Ų | 81 | 141.5 Ų | 141.5 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | -64.8 | 157.1 | -167.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 327 | N | 40.3 | Very low | 35.9 | Very low | 132 Ų | 132 | 142.8 Ų | 142.8 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | -141.1 | 125.4 | 145.1 | -162.4 | 22.2 | 0 | 0 | 0 | 108.5 | E329 | N327-E329 PolarHBondContact ND2-OE1 2.72Å; N327-E329 PolarHBondContact O-N 2.76Å | ||
| 328 | V | 33.6 | Very low | 35.8 | Very low | 139 Ų | 139 | 141 Ų | 141 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | trans | -83.9 | 99.1 | 175.5 | 171.1 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 329 | E | 39.7 | Very low | 35.6 | Very low | 143 Ų | 143 | 138.2 Ų | 138.2 | 67% | 0.668 | 78% | 0.776 | S | S | * | * | trans | -116.1 | 108 | 169.2 | -85.3 | -176.7 | -175.1 | 0 | 0 | 110.7 | N327 Y331 | N327-E329 PolarHBondContact ND2-OE1 2.72Å; N327-E329 PolarHBondContact O-N 2.76Å; E329-Y331 HydrophobicContact CB-CD2 4.46Å; E329-Y331 PolarHBondContact O-N 2.69Å | ||
| 330 | L | 32 | Very low | 35.4 | Very low | 166 Ų | 166 | 141.4 Ų | 141.4 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | trans | -78.9 | 101.6 | 170.8 | -169.1 | 88 | 0 | 0 | 0 | 107.7 | ||||
| 331 | Y | 39.6 | Very low | 35.4 | Very low | 202 Ų | 202 | 139.9 Ų | 139.9 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | trans | -132 | 143.9 | 167.9 | -87 | -77 | 0 | 0 | 0 | 113.4 | E329 | E329-Y331 HydrophobicContact CB-CD2 4.46Å; E329-Y331 PolarHBondContact O-N 2.69Å | ||
| 332 | T | 33.5 | Very low | 35.4 | Very low | 124 Ų | 124 | 139 Ų | 139 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | trans | -68.5 | 146.2 | -161.1 | 21 | 0 | 0 | 0 | 0 | 115.6 | T334 | T332-T334 PolarHBondContact O-N 3.46Å; T332-T334 VanDerWaalsContact O-N 3.16Å | ||
| 333 | A | 33.8 | Very low | 35.1 | Very low | 109 Ų | 109 | 136.4 Ų | 136.4 | 90% | 0.901 | 78% | 0.781 | S | S | * | * | trans | -51.8 | 109.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 334 | T | 39.3 | Very low | 35.2 | Very low | 123 Ų | 123 | 134 Ų | 134 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -101.2 | 112.4 | 163.8 | -57.4 | 0 | 0 | 0 | 0 | 108.7 | T332 T336 | T332-T334 PolarHBondContact O-N 3.46Å; T332-T334 VanDerWaalsContact O-N 3.16Å; T334-T336 PolarHBondContact O-N 3.41Å | ||
| 335 | K | 34.1 | Very low | 34.7 | Very low | 200 Ų | 200 | 135.5 Ų | 135.5 | 87% | 0.87 | 78% | 0.779 | S | S | * | * | trans | -77.2 | 90.8 | 178.7 | -174.3 | -178.1 | 179.1 | -177.9 | 0 | 108.8 | ||||
| 336 | T | 38.3 | Very low | 34.6 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 61% | 0.613 | 78% | 0.776 | S | S | * | * | trans | -102.9 | 105.3 | 173.3 | -44.2 | 0 | 0 | 0 | 0 | 110 | T334 I338 | T334-T336 PolarHBondContact O-N 3.41Å; T336-I338 HydrophobicContact CG2-CD1 3.93Å; T336-I338 HydrophobicContact CG2-CG1 3.69Å; T336-I338 PolarHBondContact O-N 2.78Å | ||
| 337 | T | 33.8 | Very low | 34.6 | Very low | 131 Ų | 131 | 138.2 Ų | 138.2 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -71.8 | 103.8 | 166.5 | -54.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 338 | I | 35.3 | Very low | 34.3 | Very low | 147 Ų | 147 | 140.9 Ų | 140.9 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | trans | -114.5 | 129.1 | 168.7 | -61.1 | -177 | 0 | 0 | 0 | 108.4 | T336 | T336-I338 HydrophobicContact CG2-CD1 3.93Å; T336-I338 HydrophobicContact CG2-CG1 3.69Å; T336-I338 PolarHBondContact O-N 2.78Å | ||
| 339 | G | 32.9 | Very low | 34.5 | Very low | 59 Ų | 59 | 141.3 Ų | 141.3 | 61% | 0.608 | 77% | 0.773 | S | S | * | * | trans | -70.9 | 166 | -165.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | S341 | G339-S341 PolarHBondContact O-N 2.92Å; G339-S341 VanDerWaalsContact O-N 3.07Å | ||
| 340 | K | 29.1 | Very low | 34.3 | Very low | 222 Ų | 222 | 140.1 Ų | 140.1 | 97% | 0.965 | 78% | 0.779 | S | S | * | * | trans | -46.7 | 104.4 | 168.4 | -80.2 | 163.4 | 166.4 | 171.2 | 0 | 111.2 | ||||
| 341 | S | 35.1 | Very low | 34.7 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | -101.3 | 123.1 | 154.4 | 53 | 0 | 0 | 0 | 0 | 108.7 | G339 | G339-S341 PolarHBondContact O-N 2.92Å; G339-S341 VanDerWaalsContact O-N 3.07Å | ||
| 342 | S | 31.8 | Very low | 34.8 | Very low | 108 Ų | 108 | 131.9 Ų | 131.9 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | -54.9 | 133.1 | 178.9 | 44.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 343 | S | 29.4 | Very low | 35.2 | Very low | 101 Ų | 101 | 132.3 Ų | 132.3 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | trans | 24.8 | 105.3 | 133.8 | -168.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 344 | T | 36.3 | Very low | 35.8 | Very low | 130 Ų | 130 | 132.1 Ų | 132.1 | 80% | 0.798 | 76% | 0.755 | S | S | * | * | trans | -124.1 | 104.4 | 145.8 | 51.2 | 0 | 0 | 0 | 0 | 107.4 | N346 | T344-N346 PolarHBondContact O-N 3.39Š| ||
| 345 | H | 33.6 | Very low | 35.7 | Very low | 161 Ų | 161 | 132.8 Ų | 132.8 | 75% | 0.745 | 75% | 0.753 | S | S | * | * | trans | -45.6 | 105.5 | 161 | -111.5 | -101.8 | 0 | 0 | 0 | 108.4 | ||||
| 346 | N | 35.1 | Very low | 36.2 | Very low | 139 Ų | 139 | 129.8 Ų | 129.8 | 74% | 0.743 | 75% | 0.745 | S | S | * | * | trans | -103.1 | 88.9 | 164 | -132 | 14.7 | 0 | 0 | 0 | 105.6 | T344 F348 | T344-N346 PolarHBondContact O-N 3.39Å; N346-F348 VanDerWaalsContact C-N 3.32Å; N346-F348 PolarHBondContact O-N 3.48Å | ||
| 347 | E | 31.1 | Very low | 36.5 | Very low | 152 Ų | 152 | 133.1 Ų | 133.1 | 71% | 0.71 | 75% | 0.753 | S | S | * | * | trans | -58.7 | 98.2 | 169.4 | -84.3 | 178 | 144.2 | 0 | 0 | 108.1 | N349 | E347-N349 VanDerWaalsContact C-N 3.27Å; E347-N349 PolarHBondContact O-N 3.15Å | ||
| 348 | F | 33.9 | Very low | 36.8 | Very low | 189 Ų | 189 | 130.8 Ų | 130.8 | 83% | 0.829 | 74% | 0.741 | S | S | * | * | trans | -69.5 | 93.1 | 164.8 | -108.6 | -94.6 | 0 | 0 | 0 | 107.2 | N346 C350 | N346-F348 VanDerWaalsContact C-N 3.32Å; N346-F348 PolarHBondContact O-N 3.48Å; F348-C350 PolarHBondContact O-N 2.81Å | ||
| 349 | N | 36.9 | Very low | 37.3 | Very low | 147 Ų | 147 | 127.8 Ų | 127.8 | 79% | 0.786 | 73% | 0.73 | S | S | * | * | trans | -61.4 | 88.3 | 165.3 | -85.6 | -22.6 | 0 | 0 | 0 | 108.5 | E347 S351 | E347-N349 VanDerWaalsContact C-N 3.27Å; E347-N349 PolarHBondContact O-N 3.15Å; N349-S351 PolarHBondContact O-N 3.48Å | ||
| 350 | C | 35.9 | Very low | 37.8 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | trans | -73.1 | 85.3 | 168.6 | -162.1 | 0 | 0 | 0 | 0 | 107.3 | F348 S352 | F348-C350 PolarHBondContact O-N 2.81Å; C350-S352 PolarHBondContact O-N 2.9Å | ||
| 351 | S | 39.7 | Very low | 38.7 | Very low | 91 Ų | 91 | 125.3 Ų | 125.3 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | trans | -57.9 | 126.4 | 176.6 | -160.2 | 0 | 0 | 0 | 0 | 108.9 | N349 N353 | N349-S351 PolarHBondContact O-N 3.48Å; S351-N353 PolarHBondContact O-N 3.25Å | ||
| 352 | S | 42.4 | Very low | 39.1 | Very low | 104 Ų | 104 | 126.5 Ų | 126.5 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -65.7 | 29.4 | -166.3 | -49.5 | 0 | 0 | 0 | 0 | 116.6 | C350 | C350-S352 PolarHBondContact O-N 2.9Š|
| 353 | N | 41.1 | Very low | 39.9 | Very low | 133 Ų | 133 | 128.4 Ų | 128.4 | 71% | 0.711 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -1.3 | -171.4 | -70.6 | -6.4 | 0 | 0 | 0 | 114.6 | S351 | S351-N353 PolarHBondContact O-N 3.25Š|
| 354 | S | 47.5 | Very low | 40.5 | Very low | 104 Ų | 104 | 131.7 Ų | 131.7 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -12.3 | 176.7 | 81 | 0 | 0 | 0 | 0 | 114.1 | ||
| 355 | L | 37.5 | Very low | 40.8 | Very low | 137 Ų | 137 | 132.3 Ų | 132.3 | 72% | 0.717 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -87.2 | -17.4 | -169 | -160.2 | 62.1 | 0 | 0 | 0 | 114.6 | ||
| 356 | I | 44.2 | Very low | 41.2 | Very low | 138 Ų | 138 | 134 Ų | 134 | 71% | 0.708 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -83.6 | -18.2 | -177.5 | -59.7 | 178.9 | 0 | 0 | 0 | 112.3 | C358 | I356-C358 PolarHBondContact O-N 2.77Š|
| 357 | H | 44.9 | Very low | 41.6 | Very low | 170 Ų | 170 | 134 Ų | 134 | 79% | 0.787 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -80.7 | 3.1 | -179.1 | -151.9 | -75.2 | 0 | 0 | 0 | 114.4 | ||
| 358 | C | 40 | Very low | 42.2 | Very low | 81 Ų | 81 | 133.4 Ų | 133.4 | 55% | 0.547 | 73% | 0.725 | S | S | . | * | G | 310 helix | trans | -100.7 | -6.9 | -178 | -72.3 | 0 | 0 | 0 | 0 | 115 | I356 | I356-C358 PolarHBondContact O-N 2.77Š|
| 359 | T | 45.7 | Very low | 42.7 | Very low | 84 Ų | 84 | 129.6 Ų | 129.6 | 52% | 0.515 | 72% | 0.72 | S | S | . | * | S | Bend | trans | -87 | -25.8 | -177.2 | 51.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 360 | D | 43.8 | Very low | 43.2 | Very low | 139 Ų | 139 | 127.2 Ų | 127.2 | 74% | 0.743 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -81.4 | -20.1 | -177.4 | -69.3 | -11.3 | 0 | 0 | 0 | 113.1 | M362 | D360-M362 VanDerWaalsContact C-N 3.34Å; D360-M362 PolarHBondContact O-N 3.2Å |
| 361 | S | 46.7 | Very low | 43.7 | Very low | 91 Ų | 91 | 128.1 Ų | 128.1 | 64% | 0.636 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -83.7 | -5.4 | 179.3 | -142.5 | 0 | 0 | 0 | 0 | 114.2 | ||
| 362 | M | 44.6 | Very low | 43.9 | Very low | 139 Ų | 139 | 129.8 Ų | 129.8 | 69% | 0.685 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -84.2 | -13.7 | 179 | -89.7 | -172.5 | -79.8 | 0 | 0 | 114.1 | D360 | D360-M362 VanDerWaalsContact C-N 3.34Å; D360-M362 PolarHBondContact O-N 3.2Å |
| 363 | N | 47.3 | Very low | 44.1 | Very low | 147 Ų | 147 | 132.5 Ų | 132.5 | 79% | 0.786 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -87.3 | -3 | -178.7 | -77.3 | -23.8 | 0 | 0 | 0 | 114.7 | ||
| 364 | E | 42.8 | Very low | 44.4 | Very low | 171 Ų | 171 | 132.8 Ų | 132.8 | 80% | 0.799 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -100.2 | -4.4 | -176.9 | -123.5 | 178.6 | -176.3 | 0 | 0 | 115 | K366 | E364-K366 VanDerWaalsContact C-N 3.28Å; E364-K366 PolarHBondContact O-N 3.43Å; E364-K366 VanDerWaalsContact O-N 3.13Å |
| 365 | L | 41.9 | Very low | 44.4 | Very low | 142 Ų | 142 | 132.9 Ų | 132.9 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | trans | -91 | 63.1 | 173.5 | -63.7 | 179.7 | 0 | 0 | 0 | 111.2 | L367 | L365-L367 HydrophobicContact CB-CD1 4.29Å; L365-L367 PolarHBondContact O-N 3.43Å | ||
| 366 | K | 42.6 | Very low | 44.8 | Very low | 196 Ų | 196 | 133.8 Ų | 133.8 | 85% | 0.852 | 72% | 0.715 | S | S | * | * | trans | -69 | 86.5 | 153.2 | -110.2 | 174.7 | 176.4 | 175.8 | 0 | 106.6 | E364 D368 | E364-K366 VanDerWaalsContact C-N 3.28Å; E364-K366 PolarHBondContact O-N 3.43Å; E364-K366 VanDerWaalsContact O-N 3.13Å; K366-D368 PolarHBondContact O-N 2.85Å; K366-D368 VanDerWaalsContact O-N 3.07Å | ||
| 367 | L | 43.3 | Very low | 44.9 | Very low | 139 Ų | 139 | 132.2 Ų | 132.2 | 73% | 0.728 | 71% | 0.711 | S | S | * | * | trans | -58.5 | 111.1 | 168 | -109.5 | 76.2 | 0 | 0 | 0 | 107.6 | L365 C369 | L365-L367 HydrophobicContact CB-CD1 4.29Å; L365-L367 PolarHBondContact O-N 3.43Å; L367-C369 PolarHBondContact O-N 2.9Å | ||
| 368 | D | 44.5 | Very low | 44.9 | Very low | 141 Ų | 141 | 129.9 Ų | 129.9 | 75% | 0.754 | 70% | 0.704 | S | S | * | * | trans | -56.5 | 109.3 | 167.3 | -85 | -40 | 0 | 0 | 0 | 108.6 | K366 S370 | K366-D368 PolarHBondContact O-N 2.85Å; K366-D368 VanDerWaalsContact O-N 3.07Å; D368-S370 PolarHBondContact O-N 3.49Å | ||
| 369 | C | 44.1 | Very low | 45.3 | Very low | 109 Ų | 109 | 130.2 Ų | 130.2 | 74% | 0.736 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -66.9 | 14.8 | -178.2 | -76.1 | 0 | 0 | 0 | 0 | 114.8 | L367 I371 | L367-C369 PolarHBondContact O-N 2.9Å; C369-I371 PolarHBondContact O-N 2.85Å |
| 370 | S | 46.6 | Very low | 45.6 | Very low | 96 Ų | 96 | 130.8 Ų | 130.8 | 67% | 0.671 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -84.2 | -7.3 | -172.2 | -44.9 | 0 | 0 | 0 | 0 | 114.5 | D368 | D368-S370 PolarHBondContact O-N 3.49Š|
| 371 | I | 46.2 | Very low | 46 | Very low | 138 Ų | 138 | 132.4 Ų | 132.4 | 71% | 0.708 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -92.5 | -9.6 | -175.5 | -58.3 | 176.8 | 0 | 0 | 0 | 112.6 | C369 | C369-I371 PolarHBondContact O-N 2.85Š|
| 372 | I | 43.6 | Very low | 46.2 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 65% | 0.646 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -83.5 | -18.3 | -174.4 | -61.8 | 178.9 | 0 | 0 | 0 | 113 | ||
| 373 | E | 47.4 | Very low | 46.6 | Very low | 162 Ų | 162 | 132.2 Ų | 132.2 | 76% | 0.757 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -78.4 | -25.2 | -178.7 | -70.7 | -167.3 | 159.2 | 0 | 0 | 114.3 | V375 | E373-V375 VanDerWaalsContact C-N 3.34Å; E373-V375 PolarHBondContact O-N 3.37Å |
| 374 | D | 47.4 | Very low | 47 | Very low | 139 Ų | 139 | 131.9 Ų | 131.9 | 74% | 0.743 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -17.7 | -178 | -80 | -17 | 0 | 0 | 0 | 113.9 | ||
| 375 | V | 47.1 | Very low | 47.4 | Very low | 106 Ų | 106 | 129 Ų | 129 | 64% | 0.642 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -19.2 | -179.7 | -177.7 | 0 | 0 | 0 | 0 | 112.4 | E373 T377 | E373-V375 VanDerWaalsContact C-N 3.34Å; E373-V375 PolarHBondContact O-N 3.37Å; V375-T377 VanDerWaalsContact C-N 3.33Å |
| 376 | L | 46.8 | Very low | 47.8 | Very low | 156 Ų | 156 | 130.8 Ų | 130.8 | 82% | 0.817 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -84.4 | -6.5 | 177.6 | -80.8 | 165.2 | 0 | 0 | 0 | 113.8 | I378 | L376-I378 PolarHBondContact O-N 2.84Š|
| 377 | T | 45.5 | Very low | 48.3 | Very low | 104 Ų | 104 | 124.8 Ų | 124.8 | 64% | 0.638 | 67% | 0.674 | S | S | * | * | trans | -102.7 | 52.8 | 177.3 | -39.1 | 0 | 0 | 0 | 0 | 110.7 | V375 P379 | V375-T377 VanDerWaalsContact C-N 3.33Å; T377-P379 WeakPolarHBondContact O-CD 3.46Å | ||
| 378 | I | 45.5 | Very low | 48.9 | Very low | 122 Ų | 122 | 123.1 Ų | 123.1 | 63% | 0.626 | 67% | 0.669 | S | S | * | * | trans | -72.3 | 107.3 | 166.6 | -61.5 | 175.5 | 0 | 0 | 0 | 106.6 | L376 | L376-I378 PolarHBondContact O-N 2.84Š| ||
| 379 | P | 47.3 | Very low | 49.3 | Very low | 88 Ų | 88 | 122.1 Ų | 122.1 | 57% | 0.571 | 66% | 0.662 | S | S | * | * | trans | -72.2 | 151.2 | -172.4 | 20 | -12.5 | 0 | 0 | 0 | 109.8 | T377 K381 | T377-P379 WeakPolarHBondContact O-CD 3.46Å; P379-K381 PolarHBondContact O-N 3.31Å | ||
| 380 | S | 52.3 | Low | 49.7 | Very low | 96 Ų | 96 | 121.9 Ų | 121.9 | 67% | 0.671 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -44.4 | 3.2 | -179.6 | 61.5 | 0 | 0 | 0 | 0 | 118.5 | T383 | S380-T383 PolarHBondContact O-OG1 2.87Š|
| 381 | K | 53.5 | Low | 50 | Low | 173 Ų | 173 | 125.1 Ų | 125.1 | 75% | 0.752 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -71.3 | -27.6 | 175.8 | -69.1 | -165.3 | 175.2 | -174.7 | 0 | 113.4 | P379 H384 L385 | P379-K381 PolarHBondContact O-N 3.31Å; K381-H384 PolarHBondContact O-N 2.87Å; K381-L385 PolarHBondContact O-N 3.43Å |
| 382 | L | 49.9 | Very low | 50 | Low | 118 Ų | 118 | 121.2 Ų | 121.2 | 62% | 0.618 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -71.6 | -32.7 | 176.9 | -116.9 | 79.1 | 0 | 0 | 0 | 112.6 | H384 L385 Y386 | L382-H384 VanDerWaalsContact C-N 3.29Å; L382-H384 PolarHBondContact O-N 3.18Å; L382-L385 PolarHBondContact O-N 2.86Å; L382-Y386 PolarHBondContact O-N 3.28Å |
| 383 | T | 53.9 | Low | 50.3 | Low | 107 Ų | 107 | 120.7 Ų | 120.7 | 66% | 0.656 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -66.4 | -33.4 | 177 | -10.7 | 0 | 0 | 0 | 0 | 111.7 | S380 C387 | S380-T383 PolarHBondContact O-OG1 2.87Å; T383-C387 PolarHBondContact O-N 3.4Å |
| 384 | H | 56 | Low | 50.4 | Low | 141 Ų | 141 | 121.7 Ų | 121.7 | 65% | 0.653 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -71.8 | -32.8 | 174 | -105.3 | -39.2 | 0 | 0 | 0 | 113.3 | K381 L382 Y386 C387 V388 | K381-H384 PolarHBondContact O-N 2.87Å; L382-H384 VanDerWaalsContact C-N 3.29Å; L382-H384 PolarHBondContact O-N 3.18Å; H384-Y386 VanDerWaalsContact C-N 3.34Å; H384-C387 PolarHBondContact O-N 3.47Å; H384-V388 WeakPolarHBondContact O-CG2 3.32Å; H384-V388 PolarHBondContact O-N 2.83Å |
| 385 | L | 50.6 | Low | 50.3 | Low | 109 Ų | 109 | 124.4 Ų | 124.4 | 57% | 0.571 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -69.2 | -35.1 | 177.8 | -161.3 | 68 | 0 | 0 | 0 | 111.8 | K381 L382 I389 | K381-L385 PolarHBondContact O-N 3.43Å; L382-L385 PolarHBondContact O-N 2.86Å; L385-I389 WeakPolarHBondContact O-CG1 3.24Å; L385-I389 PolarHBondContact O-N 3.04Å |
| 386 | Y | 50.5 | Low | 50.1 | Low | 180 Ų | 180 | 127.3 Ų | 127.3 | 71% | 0.706 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -67.3 | -35.7 | 174.1 | -116.6 | -89.5 | 0 | 0 | 0 | 112.6 | L382 H384 I389 C390 | L382-Y386 PolarHBondContact O-N 3.28Å; H384-Y386 VanDerWaalsContact C-N 3.34Å; Y386-I389 PolarHBondContact O-N 2.89Å; Y386-C390 PolarHBondContact O-N 3.01Å |
| 387 | C | 52.5 | Low | 49.8 | Very low | 71 Ų | 71 | 123.7 Ų | 123.7 | 48% | 0.48 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -69.4 | -35.9 | 179.5 | -152.4 | 0 | 0 | 0 | 0 | 112.6 | T383 H384 I389 E391 | T383-C387 PolarHBondContact O-N 3.4Å; H384-C387 PolarHBondContact O-N 3.47Å; C387-I389 VanDerWaalsContact C-N 3.34Å; C387-I389 PolarHBondContact O-N 3.23Å; C387-E391 PolarHBondContact O-N 3.41Å |
| 388 | V | 55.8 | Low | 49.6 | Very low | 104 Ų | 104 | 133.4 Ų | 133.4 | 63% | 0.63 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -72.1 | -29 | 179.8 | 176.1 | 0 | 0 | 0 | 0 | 112.1 | H384 | H384-V388 WeakPolarHBondContact O-CG2 3.32Å; H384-V388 PolarHBondContact O-N 2.83Å |
| 389 | I | 54.1 | Low | 49.8 | Very low | 120 Ų | 120 | 134 Ų | 134 | 62% | 0.615 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -77.5 | -30.8 | 179.7 | -63.8 | 172.4 | 0 | 0 | 0 | 111.4 | L385 Y386 C387 | L385-I389 WeakPolarHBondContact O-CG1 3.24Å; L385-I389 PolarHBondContact O-N 3.04Å; Y386-I389 PolarHBondContact O-N 2.89Å; C387-I389 VanDerWaalsContact C-N 3.34Å; C387-I389 PolarHBondContact O-N 3.23Å |
| 390 | C | 52.4 | Low | 50 | Low | 103 Ų | 103 | 136.4 Ų | 136.4 | 70% | 0.696 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -83.6 | -22.7 | -178.6 | -71.3 | 0 | 0 | 0 | 0 | 115.2 | Y386 | Y386-C390 PolarHBondContact O-N 3.01Å |
| 391 | E | 51 | Low | 49.8 | Very low | 165 Ų | 165 | 138.6 Ų | 138.6 | 77% | 0.771 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -93.9 | 7 | 178.9 | -70.5 | -153.7 | 161.3 | 0 | 0 | 114.7 | C387 P393 | C387-E391 PolarHBondContact O-N 3.41Å; E391-P393 VanDerWaalsContact O-CD 3.26Å; E391-P393 WeakPolarHBondContact O-CD 3.4Å |
| 392 | S | 46.5 | Very low | 49.6 | Very low | 55 Ų | 55 | 136.6 Ų | 136.6 | 39% | 0.385 | 70% | 0.701 | S | S | . | * | trans | -73.6 | 115.7 | 172.7 | 168.9 | 0 | 0 | 0 | 0 | 110.8 | F394 | S392-F394 PolarHBondContact O-N 3.36Š| ||
| 393 | P | 49.7 | Very low | 49.6 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 75% | 0.747 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -70.1 | 0.5 | 179.8 | -13.8 | 29.1 | 0 | 0 | 0 | 113.7 | E391 F395 | E391-P393 VanDerWaalsContact O-CD 3.26Å; E391-P393 WeakPolarHBondContact O-CD 3.4Å; P393-F395 VanDerWaalsContact C-N 3.29Å; P393-F395 PolarHBondContact O-N 3.18Å |
| 394 | F | 50.1 | Low | 49.3 | Very low | 184 Ų | 184 | 139.8 Ų | 139.8 | 81% | 0.807 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -77.9 | -8.2 | -175.1 | -103.8 | -86.7 | 0 | 0 | 0 | 114.6 | S392 | S392-F394 PolarHBondContact O-N 3.36Š|
| 395 | F | 44.8 | Very low | 48.8 | Very low | 196 Ų | 196 | 139.7 Ų | 139.7 | 86% | 0.86 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -95.5 | 4.6 | -176.4 | -112.3 | -86.1 | 0 | 0 | 0 | 115.8 | P393 | P393-F395 VanDerWaalsContact C-N 3.29Å; P393-F395 PolarHBondContact O-N 3.18Å |
| 396 | I | 44 | Very low | 48.7 | Very low | 167 Ų | 167 | 142.1 Ų | 142.1 | 86% | 0.856 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -97.3 | 4.4 | 178.6 | -62.6 | 178.7 | 0 | 0 | 0 | 113 | ||
| 397 | A | 39.6 | Very low | 48.6 | Very low | 79 Ų | 79 | 138.9 Ų | 138.9 | 65% | 0.653 | 73% | 0.726 | S | S | * | * | trans | -132.7 | 80.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 398 | Y | 42.3 | Very low | 48.2 | Very low | 308 Ų | 308 | 145.1 Ų | 145.1 | 100% | 1.208 | 75% | 0.748 | S | S | * | * | trans | -166.3 | 0 | 142.8 | -109.3 | -72 | 0 | 0 | 0 | 112 |
Retrieved 398 of 398 residues in 68.9 ms
(Link to these results)