| 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 | 45.8 | Very low | 72.6 | Confident | 230 Ų | 230 | 126.5 Ų | 126.5 | 100% | 1.133 | 64% | 0.643 | S | S | * | * | 0 | 3.4 | 0 | -67.9 | -160.5 | -138.8 | 0 | 0 | 114.8 | |||||
| 2 | S | 56.4 | Low | 73.8 | Confident | 101 Ų | 101 | 123.5 Ų | 123.5 | 71% | 0.706 | 63% | 0.628 | S | S | * | * | trans | -83.8 | -34.8 | -174.5 | 53.7 | 0 | 0 | 0 | 0 | 115.8 | N4 L5 | S2-N4 VanDerWaalsContact C-N 3.3Å; S2-N4 PolarHBondContact O-N 2.87Å; S2-L5 PolarHBondContact O-N 2.77Å | ||
| 3 | A | 59.2 | Low | 74.8 | Confident | 75 Ų | 75 | 120.9 Ų | 120.9 | 62% | 0.62 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -64.8 | -28.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 4 | N | 72 | Confident | 75.7 | Confident | 119 Ų | 119 | 119.9 Ų | 119.9 | 64% | 0.636 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -78.2 | -24.1 | -176 | -137.5 | -4.2 | 0 | 0 | 0 | 113.1 | S2 | S2-N4 VanDerWaalsContact C-N 3.3Å; S2-N4 PolarHBondContact O-N 2.87Å |
| 5 | L | 74.3 | Confident | 76.5 | Confident | 116 Ų | 116 | 120.1 Ų | 120.1 | 61% | 0.607 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -75.2 | -39.4 | 175.3 | -105 | 153.8 | 0 | 0 | 0 | 111.4 | S2 K8 I9 | S2-L5 PolarHBondContact O-N 2.77Å; L5-K8 PolarHBondContact O-N 2.94Å; L5-I9 WeakPolarHBondContact O-CG1 3.4Å; L5-I9 PolarHBondContact O-N 3.23Å; L5-I9 VanDerWaalsContact O-N 3.07Å |
| 6 | W | 77.4 | Confident | 77.3 | Confident | 178 Ų | 178 | 120.8 Ų | 120.8 | 67% | 0.674 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -64.4 | -43.3 | -178.6 | -135.9 | 90.8 | 0 | 0 | 0 | 112.3 | K8 I9 H10 | W6-K8 VanDerWaalsContact C-N 3.31Å; W6-K8 PolarHBondContact O-N 3.34Å; W6-I9 PolarHBondContact O-N 3.24Å; W6-H10 AromaticContact CZ3-CD2 3.58Å; W6-H10 PolarHBondContact O-N 3.34Å |
| 7 | N | 79.6 | Confident | 78 | Confident | 108 Ų | 108 | 118.5 Ų | 118.5 | 58% | 0.578 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -61.7 | -35.9 | 174.7 | -80.6 | -13.2 | 0 | 0 | 0 | 113.1 | K11 | N7-K11 PolarHBondContact O-N 2.79Å; N7-K11 VanDerWaalsContact O-N 3.08Å |
| 8 | K | 82.1 | Confident | 78.7 | Confident | 138 Ų | 138 | 118 Ų | 118 | 60% | 0.6 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.8 | -43.7 | 175 | -74.7 | -177 | 179.8 | -176.8 | 0 | 111.4 | L5 W6 H10 K11 I12 | L5-K8 PolarHBondContact O-N 2.94Å; W6-K8 VanDerWaalsContact C-N 3.31Å; W6-K8 PolarHBondContact O-N 3.34Å; K8-H10 VanDerWaalsContact C-N 3.34Å; K8-H10 PolarHBondContact O-N 3.38Å; K8-K11 PolarHBondContact O-N 3.5Å; K8-I12 VanDerWaalsContact O-CG1 3.27Å; K8-I12 WeakPolarHBondContact O-CG1 3.49Å; K8-I12 PolarHBondContact O-N 3.29Å |
| 9 | I | 83.6 | Confident | 79.3 | Confident | 86 Ų | 86 | 117.5 Ų | 117.5 | 44% | 0.441 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.8 | -43.9 | 177 | -66.3 | 168.1 | 0 | 0 | 0 | 110.6 | L5 W6 I12 N13 | L5-I9 WeakPolarHBondContact O-CG1 3.4Å; L5-I9 PolarHBondContact O-N 3.23Å; L5-I9 VanDerWaalsContact O-N 3.07Å; W6-I9 PolarHBondContact O-N 3.24Å; I9-I12 PolarHBondContact O-N 2.8Å; I9-N13 PolarHBondContact O-N 2.69Å |
| 10 | H | 84.2 | Confident | 79.8 | Confident | 104 Ų | 104 | 115.5 Ų | 115.5 | 48% | 0.481 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63 | -45 | 179.6 | -150 | -70.3 | 0 | 0 | 0 | 112.1 | W6 K8 I12 N13 E14 | W6-H10 AromaticContact CZ3-CD2 3.58Å; W6-H10 PolarHBondContact O-N 3.34Å; K8-H10 VanDerWaalsContact C-N 3.34Å; K8-H10 PolarHBondContact O-N 3.38Å; H10-I12 VanDerWaalsContact C-N 3.34Å; H10-I12 PolarHBondContact O-N 3.44Å; H10-N13 PolarHBondContact O-N 2.83Å; H10-E14 WeakPolarHBondContact O-CB 3.49Å; H10-E14 PolarHBondContact O-N 2.94Å |
| 11 | K | 84.2 | Confident | 80.3 | Confident | 136 Ų | 136 | 116.7 Ų | 116.7 | 59% | 0.591 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -59.1 | -43.3 | 173 | -87.6 | -178.6 | 174.9 | 179.5 | 0 | 112.2 | N7 K8 N13 E14 F15 | N7-K11 PolarHBondContact O-N 2.79Å; N7-K11 VanDerWaalsContact O-N 3.08Å; K8-K11 PolarHBondContact O-N 3.5Å; K11-N13 VanDerWaalsContact C-N 3.34Å; K11-N13 PolarHBondContact O-N 3.44Å; K11-E14 PolarHBondContact O-N 3.43Å; K11-F15 WeakPolarHBondContact O-CD2 2.99Å; K11-F15 PolarHBondContact O-N 3.43Å |
| 12 | I | 86.9 | Confident | 82.4 | Confident | 91 Ų | 91 | 108 Ų | 108 | 47% | 0.467 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.6 | -43.6 | 177.3 | -70.8 | 166.1 | 0 | 0 | 0 | 110.9 | K8 I9 H10 E14 F15 K16 | K8-I12 VanDerWaalsContact O-CG1 3.27Å; K8-I12 WeakPolarHBondContact O-CG1 3.49Å; K8-I12 PolarHBondContact O-N 3.29Å; I9-I12 PolarHBondContact O-N 2.8Å; H10-I12 VanDerWaalsContact C-N 3.34Å; H10-I12 PolarHBondContact O-N 3.44Å; I12-E14 VanDerWaalsContact C-N 3.34Å; I12-F15 PolarHBondContact O-N 3.23Å; I12-K16 HydrophobicContact CG2-CD 4.28Å; I12-K16 WeakPolarHBondContact O-CB 3.35Å; I12-K16 WeakPolarHBondContact O-CG 3.41Å; I12-K16 PolarHBondContact O-N 3.24Å |
| 13 | N | 86.9 | Confident | 84.1 | Confident | 90 Ų | 90 | 107.9 Ų | 107.9 | 48% | 0.481 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.9 | -37.7 | 177.7 | -76.3 | -15.2 | 0 | 0 | 0 | 112.2 | I9 H10 K11 K16 S17 | I9-N13 PolarHBondContact O-N 2.69Å; H10-N13 PolarHBondContact O-N 2.83Å; K11-N13 VanDerWaalsContact C-N 3.34Å; K11-N13 PolarHBondContact O-N 3.44Å; N13-K16 PolarHBondContact O-N 3.49Å; N13-S17 WeakPolarHBondContact O-CB 3.5Å; N13-S17 PolarHBondContact O-N 3.37Å |
| 14 | E | 87.3 | Confident | 85.6 | Confident | 106 Ų | 106 | 106.9 Ų | 106.9 | 50% | 0.495 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.2 | -45 | 175 | -162.5 | 173.1 | -167.6 | 0 | 0 | 111.4 | H10 K11 I12 K16 S17 Q18 | H10-E14 WeakPolarHBondContact O-CB 3.49Å; H10-E14 PolarHBondContact O-N 2.94Å; K11-E14 PolarHBondContact O-N 3.43Å; I12-E14 VanDerWaalsContact C-N 3.34Å; E14-K16 VanDerWaalsContact C-N 3.35Å; E14-K16 PolarHBondContact O-N 3.32Å; E14-S17 WeakPolarHBondContact O-CB 3.45Å; E14-S17 PolarHBondContact O-N 3.29Å; E14-Q18 WeakPolarHBondContact O-CG 3.4Å; E14-Q18 PolarHBondContact O-N 3.22Å |
| 15 | F | 88.3 | Confident | 86.6 | Confident | 123 Ų | 123 | 104.7 Ų | 104.7 | 54% | 0.539 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.8 | -41.1 | 172.4 | -82.3 | -62.8 | 0 | 0 | 0 | 112.5 | K11 I12 S17 Q18 L19 | K11-F15 WeakPolarHBondContact O-CD2 2.99Å; K11-F15 PolarHBondContact O-N 3.43Å; I12-F15 PolarHBondContact O-N 3.23Å; F15-S17 VanDerWaalsContact C-N 3.34Å; F15-Q18 PolarHBondContact O-N 3.26Å; F15-L19 WeakPolarHBondContact O-CB 3.42Å; F15-L19 WeakPolarHBondContact O-CG 3.4Å; F15-L19 PolarHBondContact O-N 2.81Å |
| 16 | K | 89 | Confident | 87.4 | Confident | 132 Ų | 132 | 102.6 Ų | 102.6 | 57% | 0.574 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.2 | -41.9 | 174.7 | -77.7 | 179.4 | 177.9 | -176.1 | 0 | 111.8 | I12 N13 E14 L19 S20 | I12-K16 HydrophobicContact CG2-CD 4.28Å; I12-K16 WeakPolarHBondContact O-CB 3.35Å; I12-K16 WeakPolarHBondContact O-CG 3.41Å; I12-K16 PolarHBondContact O-N 3.24Å; N13-K16 PolarHBondContact O-N 3.49Å; E14-K16 VanDerWaalsContact C-N 3.35Å; E14-K16 PolarHBondContact O-N 3.32Å; K16-L19 PolarHBondContact O-N 3.27Å; K16-S20 WeakPolarHBondContact O-CB 3.11Å; K16-S20 PolarHBondContact O-N 3.45Å |
| 17 | S | 88.7 | Confident | 88.2 | Confident | 81 Ų | 81 | 97.7 Ų | 97.7 | 57% | 0.566 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.7 | -45.6 | 176.4 | -175.4 | 0 | 0 | 0 | 0 | 111.5 | N13 E14 F15 S20 K21 | N13-S17 WeakPolarHBondContact O-CB 3.5Å; N13-S17 PolarHBondContact O-N 3.37Å; E14-S17 WeakPolarHBondContact O-CB 3.45Å; E14-S17 PolarHBondContact O-N 3.29Å; F15-S17 VanDerWaalsContact C-N 3.34Å; S17-S20 PolarHBondContact O-N 3.37Å; S17-K21 WeakPolarHBondContact O-CB 3.24Å; S17-K21 PolarHBondContact O-N 3.45Å |
| 18 | Q | 90.5 | Very high | 88.7 | Confident | 110 Ų | 110 | 100.7 Ų | 100.7 | 51% | 0.514 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62 | -43.8 | 175.6 | -71.4 | 177.5 | 6.3 | 0 | 0 | 112.2 | E14 F15 K21 A22 | E14-Q18 WeakPolarHBondContact O-CG 3.4Å; E14-Q18 PolarHBondContact O-N 3.22Å; F15-Q18 PolarHBondContact O-N 3.26Å; Q18-K21 PolarHBondContact O-N 3.14Å; Q18-A22 WeakPolarHBondContact O-CB 3.33Å; Q18-A22 PolarHBondContact O-N 3.39Å |
| 19 | L | 89.8 | Confident | 89.3 | Confident | 109 Ų | 109 | 99.6 Ų | 99.6 | 57% | 0.571 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.5 | -44.8 | 175.4 | -86.2 | 163.8 | 0 | 0 | 0 | 111.8 | F15 K16 K21 A22 I23 | F15-L19 WeakPolarHBondContact O-CB 3.42Å; F15-L19 WeakPolarHBondContact O-CG 3.4Å; F15-L19 PolarHBondContact O-N 2.81Å; K16-L19 PolarHBondContact O-N 3.27Å; L19-K21 VanDerWaalsContact C-N 3.27Å; L19-K21 PolarHBondContact O-N 3.4Å; L19-A22 PolarHBondContact O-N 2.86Å; L19-I23 VanDerWaalsContact O-CG1 3.25Å; L19-I23 WeakPolarHBondContact O-CG1 3.28Å; L19-I23 PolarHBondContact O-N 2.68Å |
| 20 | S | 89.6 | Confident | 89.7 | Confident | 76 Ų | 76 | 101.1 Ų | 101.1 | 53% | 0.531 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.6 | -39.9 | 177.2 | -171.3 | 0 | 0 | 0 | 0 | 111.6 | K16 S17 S24 | K16-S20 WeakPolarHBondContact O-CB 3.11Å; K16-S20 PolarHBondContact O-N 3.45Å; S17-S20 PolarHBondContact O-N 3.37Å; S20-S24 PolarHBondContact O-N 3.43Å; S20-S24 PolarHBondContact O-OG 2.83Å |
| 21 | K | 90.3 | Very high | 90.2 | Very high | 141 Ų | 141 | 103 Ų | 103 | 61% | 0.613 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.3 | -45.8 | 177.2 | -159.5 | 172 | -175.2 | 179.2 | 0 | 111.3 | S17 Q18 L19 I23 S24 D25 | S17-K21 WeakPolarHBondContact O-CB 3.24Å; S17-K21 PolarHBondContact O-N 3.45Å; Q18-K21 PolarHBondContact O-N 3.14Å; L19-K21 VanDerWaalsContact C-N 3.27Å; L19-K21 PolarHBondContact O-N 3.4Å; K21-I23 VanDerWaalsContact C-N 3.33Å; K21-I23 PolarHBondContact O-N 3.41Å; K21-S24 WeakPolarHBondContact CA-OG 3.37Å; K21-S24 PolarHBondContact O-N 3.49Å; K21-S24 PolarHBondContact O-OG 2.83Å; K21-D25 PolarHBondContact O-N 2.95Å |
| 22 | A | 90.6 | Very high | 90.6 | Very high | 49 Ų | 49 | 101.2 Ų | 101.2 | 41% | 0.405 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.4 | -40.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q18 L19 D25 V26 | Q18-A22 WeakPolarHBondContact O-CB 3.33Å; Q18-A22 PolarHBondContact O-N 3.39Å; L19-A22 PolarHBondContact O-N 2.86Å; A22-D25 PolarHBondContact O-N 2.86Å; A22-V26 VanDerWaalsContact O-CG2 3.28Å; A22-V26 WeakPolarHBondContact O-CG2 3.29Å; A22-V26 PolarHBondContact O-N 3.5Å |
| 23 | I | 91.6 | Very high | 90.9 | Very high | 98 Ų | 98 | 99 Ų | 99 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.1 | -46.4 | 175 | -68.9 | 164.8 | 0 | 0 | 0 | 110.4 | L19 K21 D25 V26 D27 | L19-I23 VanDerWaalsContact O-CG1 3.25Å; L19-I23 WeakPolarHBondContact O-CG1 3.28Å; L19-I23 PolarHBondContact O-N 2.68Å; K21-I23 VanDerWaalsContact C-N 3.33Å; K21-I23 PolarHBondContact O-N 3.41Å; I23-D25 VanDerWaalsContact C-N 3.3Å; I23-D25 PolarHBondContact O-N 2.84Å; I23-V26 PolarHBondContact O-N 2.89Å; I23-D27 PolarHBondContact O-N 3.29Å |
| 24 | S | 90.8 | Very high | 91.3 | Very high | 54 Ų | 54 | 101.7 Ų | 101.7 | 38% | 0.378 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63 | -35 | 178.3 | 65 | 0 | 0 | 0 | 0 | 113.5 | S20 K21 R28 | S20-S24 PolarHBondContact O-N 3.43Å; S20-S24 PolarHBondContact O-OG 2.83Å; K21-S24 WeakPolarHBondContact CA-OG 3.37Å; K21-S24 PolarHBondContact O-N 3.49Å; K21-S24 PolarHBondContact O-OG 2.83Å; S24-R28 PolarHBondContact O-N 3.31Å; S24-R28 VanDerWaalsContact O-N 3.07Å |
| 25 | D | 92.2 | Very high | 91.6 | Very high | 73 Ų | 73 | 103.9 Ų | 103.9 | 39% | 0.39 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70.6 | -39.9 | 176.1 | -69.7 | -26.3 | 0 | 0 | 0 | 111.2 | K21 A22 I23 R28 L29 | K21-D25 PolarHBondContact O-N 2.95Å; A22-D25 PolarHBondContact O-N 2.86Å; I23-D25 VanDerWaalsContact C-N 3.3Å; I23-D25 PolarHBondContact O-N 2.84Å; D25-R28 PolarHBondContact O-N 3.2Å; D25-L29 WeakPolarHBondContact O-CG 3.12Å; D25-L29 PolarHBondContact O-N 3.48Å |
| 26 | V | 92.9 | Very high | 91.9 | Very high | 71 Ų | 71 | 103.3 Ų | 103.3 | 43% | 0.43 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 174 | 167.3 | 0 | 0 | 0 | 0 | 111.4 | A22 I23 L29 K30 | A22-V26 VanDerWaalsContact O-CG2 3.28Å; A22-V26 WeakPolarHBondContact O-CG2 3.29Å; A22-V26 PolarHBondContact O-N 3.5Å; I23-V26 PolarHBondContact O-N 2.89Å; V26-L29 PolarHBondContact O-N 3.01Å; V26-K30 HydrophobicContact CG1-CD 4.31Å; V26-K30 WeakPolarHBondContact O-CG 3.42Å; V26-K30 PolarHBondContact O-N 3.24Å |
| 27 | D | 92.7 | Very high | 92.2 | Very high | 76 Ų | 76 | 102 Ų | 102 | 41% | 0.406 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.5 | -39.5 | 179.7 | -71.6 | -23.5 | 0 | 0 | 0 | 111.8 | I23 L29 K30 E31 | I23-D27 PolarHBondContact O-N 3.29Å; D27-L29 PolarHBondContact O-N 2.91Å; D27-K30 PolarHBondContact O-N 2.91Å; D27-K30 IonicContact OD1-NZ 3.93Å; D27-E31 PolarHBondContact O-N 3.46Å |
| 28 | R | 91.7 | Very high | 92.4 | Very high | 171 Ų | 171 | 102.4 Ų | 102.4 | 65% | 0.645 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.5 | -43.3 | 170.4 | -83.2 | -179 | 171.5 | 173.2 | -2.1 | 112.7 | S24 D25 K30 E31 L32 | S24-R28 PolarHBondContact O-N 3.31Å; S24-R28 VanDerWaalsContact O-N 3.07Å; D25-R28 PolarHBondContact O-N 3.2Å; R28-K30 VanDerWaalsContact C-N 3.32Å; R28-K30 PolarHBondContact O-N 3.28Å; R28-E31 PolarHBondContact O-N 2.81Å; R28-L32 WeakPolarHBondContact O-CG 3.4Å; R28-L32 PolarHBondContact O-N 2.96Å |
| 29 | L | 93.1 | Very high | 92.6 | Very high | 115 Ų | 115 | 102.1 Ų | 102.1 | 60% | 0.602 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.9 | -36.5 | 177.1 | -74 | 172.3 | 0 | 0 | 0 | 112 | D25 V26 D27 A33 | D25-L29 WeakPolarHBondContact O-CG 3.12Å; D25-L29 PolarHBondContact O-N 3.48Å; V26-L29 PolarHBondContact O-N 3.01Å; D27-L29 PolarHBondContact O-N 2.91Å; L29-A33 VanDerWaalsContact O-CB 3.32Å; L29-A33 WeakPolarHBondContact O-CB 3.25Å; L29-A33 PolarHBondContact O-N 2.85Å |
| 30 | K | 93.6 | Very high | 92.8 | Very high | 118 Ų | 118 | 101.4 Ų | 101.4 | 51% | 0.513 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.2 | -40.9 | 174.2 | -74.4 | 172.6 | -175.3 | 164.9 | 0 | 112.4 | V26 D27 R28 A33 K34 | V26-K30 HydrophobicContact CG1-CD 4.31Å; V26-K30 WeakPolarHBondContact O-CG 3.42Å; V26-K30 PolarHBondContact O-N 3.24Å; D27-K30 PolarHBondContact O-N 2.91Å; D27-K30 IonicContact OD1-NZ 3.93Å; R28-K30 VanDerWaalsContact C-N 3.32Å; R28-K30 PolarHBondContact O-N 3.28Å; K30-A33 PolarHBondContact O-N 3.44Å; K30-K34 WeakPolarHBondContact O-CG 3.44Å; K30-K34 PolarHBondContact O-N 2.89Å |
| 31 | E | 93 | Very high | 93 | Very high | 144 Ų | 144 | 103.1 Ų | 103.1 | 67% | 0.673 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.2 | -43.6 | 176.5 | -74.1 | -171.3 | 164.8 | 0 | 0 | 111.8 | D27 R28 K34 W35 | D27-E31 PolarHBondContact O-N 3.46Å; R28-E31 PolarHBondContact O-N 2.81Å; E31-K34 PolarHBondContact O-N 3.26Å; E31-W35 WeakPolarHBondContact O-CB 3.36Å; E31-W35 PolarHBondContact O-N 3.42Å |
| 32 | L | 93.9 | Very high | 93.2 | Very high | 98 Ų | 98 | 101.5 Ų | 101.5 | 51% | 0.513 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.2 | -46.9 | 173.8 | -75.8 | 170.1 | 0 | 0 | 0 | 111.6 | R28 K34 W35 E36 | R28-L32 WeakPolarHBondContact O-CG 3.4Å; R28-L32 PolarHBondContact O-N 2.96Å; L32-K34 VanDerWaalsContact C-N 3.33Å; L32-K34 PolarHBondContact O-N 3.24Å; L32-W35 PolarHBondContact O-N 2.96Å; L32-E36 WeakPolarHBondContact O-CB 3.41Å; L32-E36 WeakPolarHBondContact O-CG 3.27Å; L32-E36 PolarHBondContact O-N 2.87Å |
| 33 | A | 93.6 | Very high | 93.3 | Very high | 44 Ų | 44 | 104.4 Ų | 104.4 | 36% | 0.364 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.5 | -38.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L29 K30 N37 | L29-A33 VanDerWaalsContact O-CB 3.32Å; L29-A33 WeakPolarHBondContact O-CB 3.25Å; L29-A33 PolarHBondContact O-N 2.85Å; K30-A33 PolarHBondContact O-N 3.44Å; A33-N37 WeakPolarHBondContact O-CB 3.32Å; A33-N37 PolarHBondContact O-N 3.43Å; A33-N37 PolarHBondContact O-ND2 3.16Å |
| 34 | K | 93.8 | Very high | 93.4 | Very high | 146 Ų | 146 | 104.6 Ų | 104.6 | 64% | 0.635 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.6 | -47.6 | 173.3 | -78.4 | -179.7 | 179.5 | -177.8 | 0 | 111.5 | K30 E31 L32 E36 N37 D38 | K30-K34 WeakPolarHBondContact O-CG 3.44Å; K30-K34 PolarHBondContact O-N 2.89Å; E31-K34 PolarHBondContact O-N 3.26Å; L32-K34 VanDerWaalsContact C-N 3.33Å; L32-K34 PolarHBondContact O-N 3.24Å; K34-E36 VanDerWaalsContact C-N 3.35Å; K34-E36 PolarHBondContact O-N 2.84Å; K34-N37 PolarHBondContact O-N 3.1Å; K34-D38 VanDerWaalsContact O-CG 3.32Å; K34-D38 PolarHBondContact O-N 3.22Å |
| 35 | W | 94.7 | Very high | 93.6 | Very high | 152 Ų | 152 | 105.8 Ų | 105.8 | 58% | 0.576 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.6 | -40.4 | 179.1 | -178.6 | 86.4 | 0 | 0 | 0 | 112.6 | E31 L32 D38 K39 | E31-W35 WeakPolarHBondContact O-CB 3.36Å; E31-W35 PolarHBondContact O-N 3.42Å; L32-W35 PolarHBondContact O-N 2.96Å; W35-D38 PolarHBondContact O-N 3.35Å; W35-K39 HydrophobicContact CH2-CD 3.77Å; W35-K39 HydrophobicContact CZ2-CD 4.19Å; W35-K39 HydrophobicContact CZ3-CD 4.04Å; W35-K39 VanDerWaalsContact O-CB 3.31Å; W35-K39 WeakPolarHBondContact O-CB 3.33Å; W35-K39 PolarHBondContact O-N 3.45Å |
| 36 | E | 94.6 | Very high | 93.6 | Very high | 111 Ų | 111 | 105.4 Ų | 105.4 | 52% | 0.519 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 174.9 | -74.4 | 179.6 | 165.9 | 0 | 0 | 111.8 | L32 K34 K39 L40 | L32-E36 WeakPolarHBondContact O-CB 3.41Å; L32-E36 WeakPolarHBondContact O-CG 3.27Å; L32-E36 PolarHBondContact O-N 2.87Å; K34-E36 VanDerWaalsContact C-N 3.35Å; K34-E36 PolarHBondContact O-N 2.84Å; E36-K39 PolarHBondContact O-N 2.76Å; E36-L40 WeakPolarHBondContact O-CB 3.34Å; E36-L40 WeakPolarHBondContact O-CG 3.48Å; E36-L40 PolarHBondContact O-N 2.9Å |
| 37 | N | 94 | Very high | 93.7 | Very high | 104 Ų | 104 | 106.8 Ų | 106.8 | 56% | 0.556 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.9 | -47.4 | 175 | -79.5 | -19 | 0 | 0 | 0 | 112.2 | A33 K34 K39 L40 E41 | A33-N37 WeakPolarHBondContact O-CB 3.32Å; A33-N37 PolarHBondContact O-N 3.43Å; A33-N37 PolarHBondContact O-ND2 3.16Å; K34-N37 PolarHBondContact O-N 3.1Å; N37-K39 VanDerWaalsContact C-N 3.26Å; N37-K39 PolarHBondContact O-N 2.89Å; N37-L40 PolarHBondContact O-N 3.45Å; N37-E41 WeakPolarHBondContact O-CB 3.34Å; N37-E41 PolarHBondContact O-N 2.95Å |
| 38 | D | 93.6 | Very high | 93.8 | Very high | 91 Ų | 91 | 106.8 Ų | 106.8 | 49% | 0.487 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.6 | -38.4 | 178.2 | -70.5 | -10.9 | 0 | 0 | 0 | 111.1 | K34 W35 N42 | K34-D38 VanDerWaalsContact O-CG 3.32Å; K34-D38 PolarHBondContact O-N 3.22Å; W35-D38 PolarHBondContact O-N 3.35Å; D38-N42 WeakPolarHBondContact O-CB 3.18Å; D38-N42 VanDerWaalsContact O-CG 3.24Å; D38-N42 PolarHBondContact O-N 2.6Å; D38-N42 PolarHBondContact O-ND2 3.41Å |
| 39 | K | 94 | Very high | 93.9 | Very high | 103 Ų | 103 | 102.7 Ų | 102.7 | 45% | 0.448 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.7 | -44.9 | 176.7 | -174.3 | -179 | 178.5 | -175.1 | 0 | 111.8 | W35 E36 N37 N42 Q43 | W35-K39 HydrophobicContact CH2-CD 3.77Å; W35-K39 HydrophobicContact CZ2-CD 4.19Å; W35-K39 HydrophobicContact CZ3-CD 4.04Å; W35-K39 VanDerWaalsContact O-CB 3.31Å; W35-K39 WeakPolarHBondContact O-CB 3.33Å; W35-K39 PolarHBondContact O-N 3.45Å; E36-K39 PolarHBondContact O-N 2.76Å; N37-K39 VanDerWaalsContact C-N 3.26Å; N37-K39 PolarHBondContact O-N 2.89Å; K39-N42 PolarHBondContact O-N 2.75Å; K39-Q43 WeakPolarHBondContact O-CG 3.33Å; K39-Q43 PolarHBondContact O-N 2.98Å |
| 40 | L | 93.6 | Very high | 93.9 | Very high | 94 Ų | 94 | 106.6 Ų | 106.6 | 49% | 0.492 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 176.5 | -75.6 | 170.8 | 0 | 0 | 0 | 111.3 | E36 N37 N42 Q43 I44 | E36-L40 WeakPolarHBondContact O-CB 3.34Å; E36-L40 WeakPolarHBondContact O-CG 3.48Å; E36-L40 PolarHBondContact O-N 2.9Å; N37-L40 PolarHBondContact O-N 3.45Å; L40-N42 PolarHBondContact O-N 3.5Å; L40-Q43 PolarHBondContact O-N 2.88Å; L40-I44 VanDerWaalsContact O-CG1 3.28Å; L40-I44 WeakPolarHBondContact O-CG1 3.45Å; L40-I44 PolarHBondContact O-N 2.96Å |
| 41 | E | 94.4 | Very high | 94 | Very high | 112 Ų | 112 | 108.8 Ų | 108.8 | 52% | 0.523 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 177.4 | -173.1 | 174.5 | 179 | 0 | 0 | 111.4 | N37 Q43 I44 N45 | N37-E41 WeakPolarHBondContact O-CB 3.34Å; N37-E41 PolarHBondContact O-N 2.95Å; E41-Q43 VanDerWaalsContact C-N 3.33Å; E41-Q43 PolarHBondContact O-N 3.39Å; E41-I44 PolarHBondContact O-N 2.97Å; E41-N45 WeakPolarHBondContact O-CB 3.28Å; E41-N45 VanDerWaalsContact O-CG 3.26Å; E41-N45 PolarHBondContact O-N 3.35Å; E41-N45 PolarHBondContact O-ND2 2.85Å |
| 42 | N | 94.1 | Very high | 94 | Very high | 108 Ų | 108 | 109 Ų | 109 | 58% | 0.578 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.2 | -38.4 | 175.1 | -78 | -46.1 | 0 | 0 | 0 | 112.7 | D38 K39 L40 A46 | D38-N42 WeakPolarHBondContact O-CB 3.18Å; D38-N42 VanDerWaalsContact O-CG 3.24Å; D38-N42 PolarHBondContact O-N 2.6Å; D38-N42 PolarHBondContact O-ND2 3.41Å; K39-N42 PolarHBondContact O-N 2.75Å; L40-N42 PolarHBondContact O-N 3.5Å; N42-A46 VanDerWaalsContact O-CB 3.29Å; N42-A46 WeakPolarHBondContact O-CB 3.33Å; N42-A46 PolarHBondContact O-N 2.8Å |
| 43 | Q | 94.4 | Very high | 94.1 | Very high | 109 Ų | 109 | 112.7 Ų | 112.7 | 51% | 0.509 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.7 | -43.9 | 174.7 | -75.1 | 179.9 | -10.4 | 0 | 0 | 111.8 | K39 L40 E41 A46 E47 | K39-Q43 WeakPolarHBondContact O-CG 3.33Å; K39-Q43 PolarHBondContact O-N 2.98Å; L40-Q43 PolarHBondContact O-N 2.88Å; E41-Q43 VanDerWaalsContact C-N 3.33Å; E41-Q43 PolarHBondContact O-N 3.39Å; Q43-A46 PolarHBondContact O-N 3.36Å; Q43-E47 WeakPolarHBondContact O-CB 3.34Å; Q43-E47 PolarHBondContact O-N 3.25Å |
| 44 | I | 93.7 | Very high | 94.2 | Very high | 102 Ų | 102 | 117 Ų | 117 | 52% | 0.523 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 176.4 | -67.9 | 165.5 | 0 | 0 | 0 | 110.5 | L40 E41 E47 T48 | L40-I44 VanDerWaalsContact O-CG1 3.28Å; L40-I44 WeakPolarHBondContact O-CG1 3.45Å; L40-I44 PolarHBondContact O-N 2.96Å; E41-I44 PolarHBondContact O-N 2.97Å; I44-E47 PolarHBondContact O-N 3.24Å; I44-T48 HydrophobicContact CG2-CG2 4.23Å; I44-T48 WeakPolarHBondContact O-CB 3.34Å; I44-T48 VanDerWaalsContact O-CG2 3.27Å; I44-T48 WeakPolarHBondContact O-CG2 3.42Å; I44-T48 PolarHBondContact O-N 3.47Å; I44-T48 PolarHBondContact O-OG1 3.3Å |
| 45 | N | 93.7 | Very high | 94.2 | Very high | 80 Ų | 80 | 112.2 Ų | 112.2 | 43% | 0.428 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.2 | -42 | 178.3 | -73.6 | -21.2 | 0 | 0 | 0 | 111.9 | E41 T48 L49 | E41-N45 WeakPolarHBondContact O-CB 3.28Å; E41-N45 VanDerWaalsContact O-CG 3.26Å; E41-N45 PolarHBondContact O-N 3.35Å; E41-N45 PolarHBondContact O-ND2 2.85Å; N45-T48 VanDerWaalsContact CA-OG1 3.31Å; N45-T48 WeakPolarHBondContact CA-OG1 3.47Å; N45-T48 PolarHBondContact O-OG1 3.4Å; N45-L49 WeakPolarHBondContact O-CB 3.35Å; N45-L49 PolarHBondContact O-N 3.04Å |
| 46 | A | 93.5 | Very high | 94.1 | Very high | 64 Ų | 64 | 109.5 Ų | 109.5 | 53% | 0.529 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | N42 Q43 R50 | N42-A46 VanDerWaalsContact O-CB 3.29Å; N42-A46 WeakPolarHBondContact O-CB 3.33Å; N42-A46 PolarHBondContact O-N 2.8Å; Q43-A46 PolarHBondContact O-N 3.36Å; A46-R50 WeakPolarHBondContact O-CB 3.44Å; A46-R50 PolarHBondContact O-N 3.5Å |
| 47 | E | 94.6 | Very high | 94.1 | Very high | 101 Ų | 101 | 107.2 Ų | 107.2 | 47% | 0.472 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -74 | -40.1 | -178.6 | -167.9 | 164.9 | 162.5 | 0 | 0 | 112.8 | Q43 I44 L49 R50 R51 | Q43-E47 WeakPolarHBondContact O-CB 3.34Å; Q43-E47 PolarHBondContact O-N 3.25Å; I44-E47 PolarHBondContact O-N 3.24Å; E47-L49 VanDerWaalsContact C-N 3.33Å; E47-L49 PolarHBondContact O-N 3.03Å; E47-R50 PolarHBondContact O-N 3.23Å; E47-R51 WeakPolarHBondContact O-CG 3.46Å; E47-R51 PolarHBondContact O-N 2.95Å; E47-R51 IonicContact OE1-CZ 3.72Å; E47-R51 IonicContact OE1-NE 3.1Å; E47-R51 PolarHBondContact OE1-NE 2.81Å; E47-R51 IonicContact OE1-NH2 2.71Å; E47-R51 PolarHBondContact OE1-NH2 2.71Å |
| 48 | T | 93.5 | Very high | 94.1 | Very high | 75 Ų | 75 | 107 Ų | 107 | 46% | 0.46 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.9 | -42.6 | 173.3 | 48.6 | 0 | 0 | 0 | 0 | 111.3 | I44 N45 R50 R51 Y52 | I44-T48 HydrophobicContact CG2-CG2 4.23Å; I44-T48 WeakPolarHBondContact O-CB 3.34Å; I44-T48 VanDerWaalsContact O-CG2 3.27Å; I44-T48 WeakPolarHBondContact O-CG2 3.42Å; I44-T48 PolarHBondContact O-N 3.47Å; I44-T48 PolarHBondContact O-OG1 3.3Å; N45-T48 VanDerWaalsContact CA-OG1 3.31Å; N45-T48 WeakPolarHBondContact CA-OG1 3.47Å; N45-T48 PolarHBondContact O-OG1 3.4Å; T48-R50 PolarHBondContact O-N 2.86Å; T48-R51 PolarHBondContact O-N 2.85Å; T48-Y52 WeakPolarHBondContact O-CB 3.43Å; T48-Y52 PolarHBondContact O-N 2.8Å |
| 49 | L | 94.2 | Very high | 94.1 | Very high | 86 Ų | 86 | 107.1 Ų | 107.1 | 45% | 0.45 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.5 | -36 | 177.9 | -161.3 | 137.7 | 0 | 0 | 0 | 112.2 | N45 E47 R53 | N45-L49 WeakPolarHBondContact O-CB 3.35Å; N45-L49 PolarHBondContact O-N 3.04Å; E47-L49 VanDerWaalsContact C-N 3.33Å; E47-L49 PolarHBondContact O-N 3.03Å; L49-R53 VanDerWaalsContact CD2-NE 3.34Å; L49-R53 WeakPolarHBondContact O-CB 3.39Å; L49-R53 WeakPolarHBondContact O-CG 3.22Å; L49-R53 PolarHBondContact O-N 3.41Å |
| 50 | R | 94.5 | Very high | 94.1 | Very high | 196 Ų | 196 | 105 Ų | 105 | 74% | 0.74 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64 | -46.3 | 171.8 | -173.3 | -177.2 | 180 | -167.2 | 1.4 | 111.9 | A46 E47 T48 R53 K54 | A46-R50 WeakPolarHBondContact O-CB 3.44Å; A46-R50 PolarHBondContact O-N 3.5Å; E47-R50 PolarHBondContact O-N 3.23Å; T48-R50 PolarHBondContact O-N 2.86Å; R50-R53 PolarHBondContact O-N 3.39Å; R50-K54 PolarHBondContact O-N 3.26Å |
| 51 | R | 94.4 | Very high | 94.1 | Very high | 165 Ų | 165 | 105.8 Ų | 105.8 | 62% | 0.623 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.7 | -42.6 | 177.7 | -71.1 | -178.9 | -172.2 | -160.5 | 3.4 | 111.5 | E47 T48 K54 A55 | E47-R51 WeakPolarHBondContact O-CG 3.46Å; E47-R51 PolarHBondContact O-N 2.95Å; E47-R51 IonicContact OE1-CZ 3.72Å; E47-R51 IonicContact OE1-NE 3.1Å; E47-R51 PolarHBondContact OE1-NE 2.81Å; E47-R51 IonicContact OE1-NH2 2.71Å; E47-R51 PolarHBondContact OE1-NH2 2.71Å; T48-R51 PolarHBondContact O-N 2.85Å; R51-K54 PolarHBondContact O-N 3.29Å; R51-A55 WeakPolarHBondContact O-CB 3.35Å; R51-A55 PolarHBondContact O-N 3.32Å |
| 52 | Y | 94.3 | Very high | 94.1 | Very high | 149 Ų | 149 | 105.8 Ų | 105.8 | 58% | 0.584 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.6 | -47.5 | 176.2 | 179.6 | -96.4 | 0 | 0 | 0 | 112.1 | T48 K54 A55 K56 | T48-Y52 WeakPolarHBondContact O-CB 3.43Å; T48-Y52 PolarHBondContact O-N 2.8Å; Y52-K54 VanDerWaalsContact C-N 3.32Å; Y52-K54 PolarHBondContact O-N 2.92Å; Y52-A55 PolarHBondContact O-N 2.89Å; Y52-K56 HydrophobicContact CD1-CG 4.33Å; Y52-K56 HydrophobicContact CE1-CG 3.83Å; Y52-K56 HydrophobicContact CE2-CG 4.21Å; Y52-K56 WeakPolarHBondContact O-CB 3.3Å; Y52-K56 PolarHBondContact O-N 2.91Å; Y52-K56 WeakPolarHBondContact OH-CE 3.44Å |
| 53 | R | 94.8 | Very high | 94.1 | Very high | 174 Ų | 174 | 105.4 Ų | 105.4 | 66% | 0.657 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.7 | -41 | 176.7 | -76.2 | 178.5 | 178.8 | 173.2 | 1.6 | 112.2 | L49 R50 K56 S57 | L49-R53 VanDerWaalsContact CD2-NE 3.34Å; L49-R53 WeakPolarHBondContact O-CB 3.39Å; L49-R53 WeakPolarHBondContact O-CG 3.22Å; L49-R53 PolarHBondContact O-N 3.41Å; R50-R53 PolarHBondContact O-N 3.39Å; R53-K56 PolarHBondContact O-N 3.37Å; R53-S57 WeakPolarHBondContact O-CB 3.49Å; R53-S57 PolarHBondContact O-N 2.74Å |
| 54 | K | 95 | Very high | 94 | Very high | 135 Ų | 135 | 103.2 Ų | 103.2 | 59% | 0.587 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.9 | -49.7 | 177.3 | -168.3 | -177.3 | -179.6 | -160.2 | 0 | 111.4 | R50 R51 Y52 K56 S57 E58 | R50-K54 PolarHBondContact O-N 3.26Å; R51-K54 PolarHBondContact O-N 3.29Å; Y52-K54 VanDerWaalsContact C-N 3.32Å; Y52-K54 PolarHBondContact O-N 2.92Å; K54-K56 VanDerWaalsContact C-N 3.32Å; K54-K56 PolarHBondContact O-N 2.97Å; K54-S57 WeakPolarHBondContact O-CB 3.44Å; K54-S57 PolarHBondContact O-N 2.7Å; K54-S57 VanDerWaalsContact O-N 3.15Å; K54-E58 WeakPolarHBondContact CE-OE1 3.29Å; K54-E58 IonicContact NZ-OE1 3.59Å; K54-E58 WeakPolarHBondContact O-CG 3.31Å; K54-E58 PolarHBondContact O-N 2.9Å |
| 55 | A | 94.1 | Very high | 94.1 | Very high | 45 Ų | 45 | 104.7 Ų | 104.7 | 37% | 0.372 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.8 | -41.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | R51 Y52 S57 E58 E59 | R51-A55 WeakPolarHBondContact O-CB 3.35Å; R51-A55 PolarHBondContact O-N 3.32Å; Y52-A55 PolarHBondContact O-N 2.89Å; A55-S57 VanDerWaalsContact C-N 3.35Å; A55-S57 PolarHBondContact O-N 3.3Å; A55-E58 PolarHBondContact O-N 3.44Å; A55-E59 WeakPolarHBondContact O-CG 3.47Å; A55-E59 PolarHBondContact O-N 3.25Å |
| 56 | K | 93.7 | Very high | 94.1 | Very high | 96 Ų | 96 | 107 Ų | 107 | 42% | 0.417 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.1 | -35.6 | 175.8 | -83.7 | -71.5 | 167.4 | -148.2 | 0 | 113.5 | Y52 R53 K54 E59 A60 | Y52-K56 HydrophobicContact CD1-CG 4.33Å; Y52-K56 HydrophobicContact CE1-CG 3.83Å; Y52-K56 HydrophobicContact CE2-CG 4.21Å; Y52-K56 WeakPolarHBondContact O-CB 3.3Å; Y52-K56 PolarHBondContact O-N 2.91Å; Y52-K56 WeakPolarHBondContact OH-CE 3.44Å; R53-K56 PolarHBondContact O-N 3.37Å; K54-K56 VanDerWaalsContact C-N 3.32Å; K54-K56 PolarHBondContact O-N 2.97Å; K56-E59 IonicContact NZ-OE2 3.44Å; K56-E59 PolarHBondContact NZ-OE2 2.73Å; K56-A60 WeakPolarHBondContact O-CB 3.38Å; K56-A60 PolarHBondContact O-N 2.7Å |
| 57 | S | 93.6 | Very high | 94.1 | Very high | 62 Ų | 62 | 111 Ų | 111 | 43% | 0.434 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.8 | -44.8 | 174.3 | -166.8 | 0 | 0 | 0 | 0 | 111.5 | R53 K54 A55 A60 E61 | R53-S57 WeakPolarHBondContact O-CB 3.49Å; R53-S57 PolarHBondContact O-N 2.74Å; K54-S57 WeakPolarHBondContact O-CB 3.44Å; K54-S57 PolarHBondContact O-N 2.7Å; K54-S57 VanDerWaalsContact O-N 3.15Å; A55-S57 VanDerWaalsContact C-N 3.35Å; A55-S57 PolarHBondContact O-N 3.3Å; S57-A60 PolarHBondContact O-N 3.5Å; S57-E61 PolarHBondContact O-N 2.83Å |
| 58 | E | 94.6 | Very high | 94.1 | Very high | 99 Ų | 99 | 112.4 Ų | 112.4 | 46% | 0.463 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 177.4 | -71.3 | 170.1 | 179.8 | 0 | 0 | 111.2 | K54 A55 A60 E61 E62 | K54-E58 WeakPolarHBondContact CE-OE1 3.29Å; K54-E58 IonicContact NZ-OE1 3.59Å; K54-E58 WeakPolarHBondContact O-CG 3.31Å; K54-E58 PolarHBondContact O-N 2.9Å; A55-E58 PolarHBondContact O-N 3.44Å; E58-A60 VanDerWaalsContact C-N 3.32Å; E58-A60 PolarHBondContact O-N 3.01Å; E58-E61 PolarHBondContact O-N 2.96Å; E58-E62 WeakPolarHBondContact O-CG 3.35Å; E58-E62 PolarHBondContact O-N 3.44Å |
| 59 | E | 93.9 | Very high | 94.1 | Very high | 95 Ų | 95 | 115 Ų | 115 | 44% | 0.444 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.6 | -41.7 | 173.6 | -77.7 | -179.9 | 175.6 | 0 | 0 | 112.4 | A55 K56 L63 | A55-E59 WeakPolarHBondContact O-CG 3.47Å; A55-E59 PolarHBondContact O-N 3.25Å; K56-E59 IonicContact NZ-OE2 3.44Å; K56-E59 PolarHBondContact NZ-OE2 2.73Å; E59-L63 WeakPolarHBondContact O-CB 3.37Å; E59-L63 WeakPolarHBondContact O-CG 3.42Å; E59-L63 PolarHBondContact O-N 3.43Å |
| 60 | A | 93.6 | Very high | 94.1 | Very high | 59 Ų | 59 | 116.2 Ų | 116.2 | 49% | 0.488 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.8 | -40.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | K56 S57 E58 L63 S64 | K56-A60 WeakPolarHBondContact O-CB 3.38Å; K56-A60 PolarHBondContact O-N 2.7Å; S57-A60 PolarHBondContact O-N 3.5Å; E58-A60 VanDerWaalsContact C-N 3.32Å; E58-A60 PolarHBondContact O-N 3.01Å; A60-L63 PolarHBondContact O-N 3.4Å; A60-S64 WeakPolarHBondContact O-CB 3.49Å; A60-S64 PolarHBondContact O-N 3.36Å |
| 61 | E | 94.6 | Very high | 94.1 | Very high | 109 Ų | 109 | 113.5 Ų | 113.5 | 51% | 0.509 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.8 | -43.3 | 175.3 | -74.7 | -177.3 | -164.1 | 0 | 0 | 112.2 | S57 E58 S64 K65 | S57-E61 PolarHBondContact O-N 2.83Å; E58-E61 PolarHBondContact O-N 2.96Å; E61-S64 PolarHBondContact O-N 3.31Å; E61-K65 WeakPolarHBondContact O-CG 3.36Å; E61-K65 PolarHBondContact O-N 2.87Å |
| 62 | E | 94 | Very high | 94 | Very high | 113 Ų | 113 | 109.1 Ų | 109.1 | 53% | 0.528 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 175.4 | -75.6 | -165.2 | 176.6 | 0 | 0 | 112.2 | E58 S64 K65 K66 | E58-E62 WeakPolarHBondContact O-CG 3.35Å; E58-E62 PolarHBondContact O-N 3.44Å; E62-S64 VanDerWaalsContact C-N 3.32Å; E62-S64 PolarHBondContact O-N 3.07Å; E62-K65 PolarHBondContact O-N 3.17Å; E62-K66 WeakPolarHBondContact O-CB 3.33Å; E62-K66 VanDerWaalsContact O-CG 3.32Å; E62-K66 WeakPolarHBondContact O-CG 3.46Å; E62-K66 PolarHBondContact O-N 2.88Å; E62-K66 IonicContact OE2-NZ 3.22Å |
| 63 | L | 93.4 | Very high | 94 | Very high | 100 Ų | 100 | 104.7 Ų | 104.7 | 52% | 0.524 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.1 | -38.9 | 174.6 | -81.5 | 169.6 | 0 | 0 | 0 | 111.7 | E59 A60 K66 K67 | E59-L63 WeakPolarHBondContact O-CB 3.37Å; E59-L63 WeakPolarHBondContact O-CG 3.42Å; E59-L63 PolarHBondContact O-N 3.43Å; A60-L63 PolarHBondContact O-N 3.4Å; L63-K66 PolarHBondContact O-N 2.96Å; L63-K67 WeakPolarHBondContact O-CB 3.38Å; L63-K67 VanDerWaalsContact O-CG 3.32Å; L63-K67 WeakPolarHBondContact O-CG 3.37Å; L63-K67 PolarHBondContact O-N 3.37Å |
| 64 | S | 93.3 | Very high | 93.9 | Very high | 62 Ų | 62 | 101.3 Ų | 101.3 | 43% | 0.434 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -47.5 | 175.8 | -165.2 | 0 | 0 | 0 | 0 | 111.5 | A60 E61 E62 K66 K67 E68 | A60-S64 WeakPolarHBondContact O-CB 3.49Å; A60-S64 PolarHBondContact O-N 3.36Å; E61-S64 PolarHBondContact O-N 3.31Å; E62-S64 VanDerWaalsContact C-N 3.32Å; E62-S64 PolarHBondContact O-N 3.07Å; S64-K66 PolarHBondContact O-N 3.46Å; S64-K67 PolarHBondContact O-N 2.96Å; S64-E68 PolarHBondContact O-N 2.96Å |
| 65 | K | 94.3 | Very high | 93.7 | Very high | 133 Ų | 133 | 98.6 Ų | 98.6 | 58% | 0.578 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.2 | -42.8 | 176.8 | -71 | 171.8 | -174.1 | 168.6 | 0 | 112 | E61 E62 E68 H69 | E61-K65 WeakPolarHBondContact O-CG 3.36Å; E61-K65 PolarHBondContact O-N 2.87Å; E62-K65 PolarHBondContact O-N 3.17Å; K65-E68 PolarHBondContact O-N 2.97Å; K65-H69 WeakPolarHBondContact O-CB 3.18Å; K65-H69 PolarHBondContact O-N 3.22Å |
| 66 | K | 94.4 | Very high | 93.7 | Very high | 129 Ų | 129 | 100.9 Ų | 100.9 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.6 | -42.2 | 176 | -74.7 | 170.9 | -177.2 | 164.9 | 0 | 111.8 | E62 L63 S64 H69 L70 | E62-K66 WeakPolarHBondContact O-CB 3.33Å; E62-K66 VanDerWaalsContact O-CG 3.32Å; E62-K66 WeakPolarHBondContact O-CG 3.46Å; E62-K66 PolarHBondContact O-N 2.88Å; E62-K66 IonicContact OE2-NZ 3.22Å; L63-K66 PolarHBondContact O-N 2.96Å; S64-K66 PolarHBondContact O-N 3.46Å; K66-H69 PolarHBondContact O-N 3.33Å; K66-L70 WeakPolarHBondContact O-CB 3.48Å; K66-L70 PolarHBondContact O-N 3.44Å |
| 67 | K | 93.4 | Very high | 93.5 | Very high | 148 Ų | 148 | 100.2 Ų | 100.2 | 64% | 0.643 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.6 | -43.8 | 176.9 | -76.4 | 177.3 | 179.6 | -177.9 | 0 | 112.4 | L63 S64 L70 K71 | L63-K67 WeakPolarHBondContact O-CB 3.38Å; L63-K67 VanDerWaalsContact O-CG 3.32Å; L63-K67 WeakPolarHBondContact O-CG 3.37Å; L63-K67 PolarHBondContact O-N 3.37Å; S64-K67 PolarHBondContact O-N 2.96Å; K67-L70 PolarHBondContact O-N 2.92Å; K67-K71 WeakPolarHBondContact O-CB 3.44Å; K67-K71 PolarHBondContact O-N 3.22Å |
| 68 | E | 94 | Very high | 93.3 | Very high | 131 Ų | 131 | 103.1 Ų | 103.1 | 61% | 0.612 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.5 | -43 | 176.8 | -76.1 | -176.6 | 161.9 | 0 | 0 | 112 | S64 K65 K71 T72 | S64-E68 PolarHBondContact O-N 2.96Å; K65-E68 PolarHBondContact O-N 2.97Å; E68-K71 PolarHBondContact O-N 3.48Å; E68-T72 WeakPolarHBondContact O-CG2 3.42Å; E68-T72 PolarHBondContact O-N 2.8Å; E68-T72 PolarHBondContact O-OG1 2.74Å |
| 69 | H | 94.5 | Very high | 93 | Very high | 128 Ų | 128 | 105.6 Ų | 105.6 | 59% | 0.593 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.9 | -44.1 | 175.4 | -175.5 | 67.1 | 0 | 0 | 0 | 112.1 | K65 K66 K71 T72 V73 | K65-H69 WeakPolarHBondContact O-CB 3.18Å; K65-H69 PolarHBondContact O-N 3.22Å; K66-H69 PolarHBondContact O-N 3.33Å; H69-K71 VanDerWaalsContact C-N 3.3Å; H69-K71 PolarHBondContact O-N 3.34Å; H69-T72 PolarHBondContact O-N 3.37Å; H69-T72 PolarHBondContact O-OG1 3.14Å; H69-V73 WeakPolarHBondContact O-CG2 3.46Å; H69-V73 PolarHBondContact O-N 2.76Å |
| 70 | L | 94.1 | Very high | 92.7 | Very high | 112 Ų | 112 | 103.2 Ų | 103.2 | 59% | 0.586 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.7 | -41.3 | 176.2 | -162.5 | 87.6 | 0 | 0 | 0 | 111.3 | K66 K67 T72 V73 L74 | K66-L70 WeakPolarHBondContact O-CB 3.48Å; K66-L70 PolarHBondContact O-N 3.44Å; K67-L70 PolarHBondContact O-N 2.92Å; L70-T72 PolarHBondContact O-N 3.37Å; L70-V73 PolarHBondContact O-N 3.17Å; L70-L74 HydrophobicContact CD2-CD1 4.17Å; L70-L74 HydrophobicContact CG-CD1 4.18Å; L70-L74 WeakPolarHBondContact O-CB 3.44Å; L70-L74 VanDerWaalsContact O-CG 3.3Å; L70-L74 WeakPolarHBondContact O-CG 3.31Å; L70-L74 PolarHBondContact O-N 2.81Å |
| 71 | K | 93.7 | Very high | 92.2 | Very high | 139 Ų | 139 | 105.1 Ų | 105.1 | 60% | 0.604 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.5 | -41.6 | 178.1 | -172.5 | 179.6 | 179.6 | -177.6 | 0 | 111.9 | K67 E68 H69 M75 | K67-K71 WeakPolarHBondContact O-CB 3.44Å; K67-K71 PolarHBondContact O-N 3.22Å; E68-K71 PolarHBondContact O-N 3.48Å; H69-K71 VanDerWaalsContact C-N 3.3Å; H69-K71 PolarHBondContact O-N 3.34Å; K71-M75 HydrophobicContact CG-SD 4.44Å; K71-M75 WeakPolarHBondContact O-CB 3.25Å; K71-M75 VanDerWaalsContact O-CG 3.32Å; K71-M75 WeakPolarHBondContact O-CG 3.33Å; K71-M75 PolarHBondContact O-N 3.06Å |
| 72 | T | 93.2 | Very high | 91.5 | Very high | 73 Ų | 73 | 104.4 Ų | 104.4 | 45% | 0.448 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.2 | -39 | 178.6 | 54.1 | 0 | 0 | 0 | 0 | 112.3 | E68 H69 L70 M75 N76 | E68-T72 WeakPolarHBondContact O-CG2 3.42Å; E68-T72 PolarHBondContact O-N 2.8Å; E68-T72 PolarHBondContact O-OG1 2.74Å; H69-T72 PolarHBondContact O-N 3.37Å; H69-T72 PolarHBondContact O-OG1 3.14Å; L70-T72 PolarHBondContact O-N 3.37Å; T72-M75 PolarHBondContact O-N 3.18Å; T72-N76 WeakPolarHBondContact O-CB 3.49Å; T72-N76 VanDerWaalsContact O-CG 3.25Å; T72-N76 PolarHBondContact O-N 3.16Å; T72-N76 PolarHBondContact O-ND2 2.73Å |
| 73 | V | 94.1 | Very high | 91 | Very high | 57 Ų | 57 | 106.4 Ų | 106.4 | 35% | 0.345 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.3 | -50.9 | 173.6 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | H69 L70 M75 N76 D77 | H69-V73 WeakPolarHBondContact O-CG2 3.46Å; H69-V73 PolarHBondContact O-N 2.76Å; L70-V73 PolarHBondContact O-N 3.17Å; V73-M75 VanDerWaalsContact C-N 3.34Å; V73-M75 PolarHBondContact O-N 3.41Å; V73-N76 WeakPolarHBondContact O-CB 3.32Å; V73-N76 PolarHBondContact O-N 3.43Å; V73-D77 PolarHBondContact O-N 3.22Å |
| 74 | L | 92.6 | Very high | 90.2 | Very high | 102 Ų | 102 | 108 Ų | 108 | 53% | 0.534 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.2 | -41.1 | 179.4 | -71.3 | 172.3 | 0 | 0 | 0 | 112.7 | L70 N76 D77 E78 | L70-L74 HydrophobicContact CD2-CD1 4.17Å; L70-L74 HydrophobicContact CG-CD1 4.18Å; L70-L74 WeakPolarHBondContact O-CB 3.44Å; L70-L74 VanDerWaalsContact O-CG 3.3Å; L70-L74 WeakPolarHBondContact O-CG 3.31Å; L70-L74 PolarHBondContact O-N 2.81Å; L74-N76 VanDerWaalsContact C-N 3.3Å; L74-N76 PolarHBondContact O-N 3.1Å; L74-D77 PolarHBondContact O-N 3.42Å; L74-E78 WeakPolarHBondContact O-CB 3.42Å; L74-E78 PolarHBondContact O-N 2.78Å |
| 75 | M | 91.4 | Very high | 89.3 | Confident | 79 Ų | 79 | 109 Ų | 109 | 39% | 0.389 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.2 | -33 | 175.5 | -76.5 | -176 | 70 | 0 | 0 | 112.9 | K71 T72 V73 R79 | K71-M75 HydrophobicContact CG-SD 4.44Å; K71-M75 WeakPolarHBondContact O-CB 3.25Å; K71-M75 VanDerWaalsContact O-CG 3.32Å; K71-M75 WeakPolarHBondContact O-CG 3.33Å; K71-M75 PolarHBondContact O-N 3.06Å; T72-M75 PolarHBondContact O-N 3.18Å; V73-M75 VanDerWaalsContact C-N 3.34Å; V73-M75 PolarHBondContact O-N 3.41Å; M75-R79 WeakPolarHBondContact O-CG 3.42Å; M75-R79 PolarHBondContact O-N 2.89Å |
| 76 | N | 93 | Very high | 88 | Confident | 93 Ų | 93 | 109.7 Ų | 109.7 | 50% | 0.497 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -72.9 | -43 | 176.6 | -73.8 | -22.4 | 0 | 0 | 0 | 111.2 | T72 V73 L74 R79 A80 | T72-N76 WeakPolarHBondContact O-CB 3.49Å; T72-N76 VanDerWaalsContact O-CG 3.25Å; T72-N76 PolarHBondContact O-N 3.16Å; T72-N76 PolarHBondContact O-ND2 2.73Å; V73-N76 WeakPolarHBondContact O-CB 3.32Å; V73-N76 PolarHBondContact O-N 3.43Å; L74-N76 VanDerWaalsContact C-N 3.3Å; L74-N76 PolarHBondContact O-N 3.1Å; N76-R79 PolarHBondContact O-N 3.45Å; N76-A80 PolarHBondContact O-N 2.93Å |
| 77 | D | 90.6 | Very high | 87 | Confident | 82 Ų | 82 | 106.9 Ų | 106.9 | 44% | 0.439 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 176.9 | -67.5 | -11.7 | 0 | 0 | 0 | 111 | V73 L74 R79 A80 I81 | V73-D77 PolarHBondContact O-N 3.22Å; L74-D77 PolarHBondContact O-N 3.42Å; D77-R79 VanDerWaalsContact C-N 3.33Å; D77-R79 PolarHBondContact O-N 3.4Å; D77-A80 PolarHBondContact O-N 3.02Å; D77-A80 VanDerWaalsContact O-N 3.14Å; D77-I81 VanDerWaalsContact O-CG1 3.28Å; D77-I81 WeakPolarHBondContact O-CG1 3.49Å; D77-I81 PolarHBondContact O-N 3.22Å |
| 78 | E | 89.6 | Confident | 86 | Confident | 122 Ų | 122 | 101.9 Ų | 101.9 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.1 | -43.9 | 174.8 | -173.6 | -178 | -171.9 | 0 | 0 | 111.5 | L74 A80 L82 | L74-E78 WeakPolarHBondContact O-CB 3.42Å; L74-E78 PolarHBondContact O-N 2.78Å; E78-A80 PolarHBondContact O-N 2.63Å; E78-L82 HydrophobicContact CG-CD1 4.11Å; E78-L82 WeakPolarHBondContact O-CB 3.5Å; E78-L82 VanDerWaalsContact O-CG 3.22Å; E78-L82 WeakPolarHBondContact O-CG 3.32Å; E78-L82 PolarHBondContact O-N 3.08Å |
| 79 | R | 88.1 | Confident | 85 | Confident | 151 Ų | 151 | 97.6 Ų | 97.6 | 57% | 0.57 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.9 | -36.1 | 176 | -76.2 | 177.3 | -170.6 | 173.3 | 3.3 | 113 | M75 N76 D77 K83 | M75-R79 WeakPolarHBondContact O-CG 3.42Å; M75-R79 PolarHBondContact O-N 2.89Å; N76-R79 PolarHBondContact O-N 3.45Å; D77-R79 VanDerWaalsContact C-N 3.33Å; D77-R79 PolarHBondContact O-N 3.4Å; R79-K83 WeakPolarHBondContact O-CG 3.34Å; R79-K83 PolarHBondContact O-N 2.9Å |
| 80 | A | 87.4 | Confident | 84 | Confident | 45 Ų | 45 | 97.4 Ų | 97.4 | 37% | 0.372 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.4 | -49.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | N76 D77 E78 L82 K83 E84 | N76-A80 PolarHBondContact O-N 2.93Å; D77-A80 PolarHBondContact O-N 3.02Å; D77-A80 VanDerWaalsContact O-N 3.14Å; E78-A80 PolarHBondContact O-N 2.63Å; A80-L82 VanDerWaalsContact C-N 3.33Å; A80-L82 PolarHBondContact O-N 2.99Å; A80-K83 WeakPolarHBondContact O-CB 3.47Å; A80-K83 PolarHBondContact O-N 3Å; A80-K83 VanDerWaalsContact O-N 3.07Å; A80-E84 PolarHBondContact O-N 3.29Å |
| 81 | I | 83.2 | Confident | 83.1 | Confident | 99 Ų | 99 | 96.5 Ų | 96.5 | 51% | 0.508 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.5 | -43.5 | 177.1 | -65.5 | 166.2 | 0 | 0 | 0 | 110.7 | D77 K83 E84 C85 | D77-I81 VanDerWaalsContact O-CG1 3.28Å; D77-I81 WeakPolarHBondContact O-CG1 3.49Å; D77-I81 PolarHBondContact O-N 3.22Å; I81-K83 VanDerWaalsContact C-N 3.28Å; I81-K83 PolarHBondContact O-N 3.43Å; I81-E84 PolarHBondContact O-N 2.78Å; I81-C85 WeakPolarHBondContact O-CB 3.37Å; I81-C85 PolarHBondContact O-N 3.23Å; I81-C85 PolarHBondContact O-SG 2.93Å; I81-C85 VanDerWaalsContact O-SG 3.35Å |
| 82 | L | 80.4 | Confident | 82.3 | Confident | 95 Ų | 95 | 97.1 Ų | 97.1 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.7 | -29.5 | 177.6 | -74 | 172.6 | 0 | 0 | 0 | 113.4 | E78 A80 K86 | E78-L82 HydrophobicContact CG-CD1 4.11Å; E78-L82 WeakPolarHBondContact O-CB 3.5Å; E78-L82 VanDerWaalsContact O-CG 3.22Å; E78-L82 WeakPolarHBondContact O-CG 3.32Å; E78-L82 PolarHBondContact O-N 3.08Å; A80-L82 VanDerWaalsContact C-N 3.33Å; A80-L82 PolarHBondContact O-N 2.99Å; L82-K86 WeakPolarHBondContact O-CG 3.49Å; L82-K86 PolarHBondContact O-N 3.36Å |
| 83 | K | 81.6 | Confident | 81.5 | Confident | 154 Ų | 154 | 96 Ų | 96 | 67% | 0.67 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -72.2 | -46.1 | 173.5 | -76.6 | 178.1 | -179.2 | -178.1 | 0 | 111.3 | R79 A80 I81 C85 K86 T87 | R79-K83 WeakPolarHBondContact O-CG 3.34Å; R79-K83 PolarHBondContact O-N 2.9Å; A80-K83 WeakPolarHBondContact O-CB 3.47Å; A80-K83 PolarHBondContact O-N 3Å; A80-K83 VanDerWaalsContact O-N 3.07Å; I81-K83 VanDerWaalsContact C-N 3.28Å; I81-K83 PolarHBondContact O-N 3.43Å; K83-C85 VanDerWaalsContact C-N 3.34Å; K83-C85 PolarHBondContact O-N 3.47Å; K83-K86 PolarHBondContact O-N 3.38Å; K83-T87 PolarHBondContact O-N 3.45Å; K83-T87 VanDerWaalsContact O-N 3.17Å |
| 84 | E | 77.9 | Confident | 80.7 | Confident | 135 Ų | 135 | 99.7 Ų | 99.7 | 63% | 0.631 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.6 | -37.9 | 177.7 | -69.7 | 178.7 | 179.3 | 0 | 0 | 112.5 | A80 I81 K86 T87 A88 | A80-E84 PolarHBondContact O-N 3.29Å; I81-E84 PolarHBondContact O-N 2.78Å; E84-K86 VanDerWaalsContact C-N 3.33Å; E84-K86 PolarHBondContact O-N 2.89Å; E84-T87 PolarHBondContact O-N 2.93Å; E84-T87 PolarHBondContact O-OG1 3.18Å; E84-A88 PolarHBondContact O-N 2.99Å; E84-A88 VanDerWaalsContact O-N 3.07Å |
| 85 | C | 74 | Confident | 80.1 | Confident | 82 Ų | 82 | 102.5 Ų | 102.5 | 55% | 0.554 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.2 | -35.3 | 175.5 | -75.6 | 0 | 0 | 0 | 0 | 112.6 | I81 K83 G89 | I81-C85 WeakPolarHBondContact O-CB 3.37Å; I81-C85 PolarHBondContact O-N 3.23Å; I81-C85 PolarHBondContact O-SG 2.93Å; I81-C85 VanDerWaalsContact O-SG 3.35Å; K83-C85 VanDerWaalsContact C-N 3.34Å; K83-C85 PolarHBondContact O-N 3.47Å; C85-G89 PolarHBondContact O-N 3.34Å |
| 86 | K | 66.4 | Low | 79.5 | Confident | 148 Ų | 148 | 103 Ų | 103 | 64% | 0.643 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.5 | -44.3 | 176.6 | -76.4 | 177.2 | -177.4 | -175.3 | 0 | 111.6 | L82 K83 E84 A88 G89 E90 | L82-K86 WeakPolarHBondContact O-CG 3.49Å; L82-K86 PolarHBondContact O-N 3.36Å; K83-K86 PolarHBondContact O-N 3.38Å; E84-K86 VanDerWaalsContact C-N 3.33Å; E84-K86 PolarHBondContact O-N 2.89Å; K86-A88 VanDerWaalsContact C-N 3.35Å; K86-A88 PolarHBondContact O-N 2.99Å; K86-G89 PolarHBondContact O-N 3.15Å; K86-G89 VanDerWaalsContact O-N 3.16Å; K86-E90 WeakPolarHBondContact O-CG 3.28Å; K86-E90 PolarHBondContact O-N 3.48Å |
| 87 | T | 75 | Confident | 79.2 | Confident | 69 Ų | 69 | 105.6 Ų | 105.6 | 42% | 0.423 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.6 | -39 | 178.4 | 56.5 | 0 | 0 | 0 | 0 | 111.8 | K83 E84 G89 E90 E91 | K83-T87 PolarHBondContact O-N 3.45Å; K83-T87 VanDerWaalsContact O-N 3.17Å; E84-T87 PolarHBondContact O-N 2.93Å; E84-T87 PolarHBondContact O-OG1 3.18Å; T87-G89 VanDerWaalsContact C-N 3.28Å; T87-G89 PolarHBondContact O-N 2.92Å; T87-E90 PolarHBondContact O-N 3.41Å; T87-E91 WeakPolarHBondContact O-CG 3.04Å; T87-E91 PolarHBondContact O-N 3.44Å |
| 88 | A | 72.2 | Confident | 78.8 | Confident | 44 Ų | 44 | 105.3 Ų | 105.3 | 36% | 0.364 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.7 | -33.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | E84 K86 K92 | E84-A88 PolarHBondContact O-N 2.99Å; E84-A88 VanDerWaalsContact O-N 3.07Å; K86-A88 VanDerWaalsContact C-N 3.35Å; K86-A88 PolarHBondContact O-N 2.99Å; A88-K92 WeakPolarHBondContact O-CB 3.34Å; A88-K92 VanDerWaalsContact O-CG 3.3Å; A88-K92 WeakPolarHBondContact O-CG 3.33Å; A88-K92 PolarHBondContact O-N 2.86Å; A88-K92 VanDerWaalsContact O-N 3.13Å |
| 89 | G | 72.3 | Confident | 78.6 | Confident | 41 Ų | 41 | 105.1 Ų | 105.1 | 42% | 0.423 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68 | -43.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | C85 K86 T87 K92 A93 | C85-G89 PolarHBondContact O-N 3.34Å; K86-G89 PolarHBondContact O-N 3.15Å; K86-G89 VanDerWaalsContact O-N 3.16Å; T87-G89 VanDerWaalsContact C-N 3.28Å; T87-G89 PolarHBondContact O-N 2.92Å; G89-K92 PolarHBondContact O-N 2.86Å; G89-A93 PolarHBondContact O-N 2.96Å |
| 90 | E | 73.6 | Confident | 78.5 | Confident | 124 Ų | 124 | 105.6 Ų | 105.6 | 58% | 0.579 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.3 | -46.2 | 175.7 | -70.6 | 171 | 178.3 | 0 | 0 | 111.4 | K86 T87 K92 A93 E94 | K86-E90 WeakPolarHBondContact O-CG 3.28Å; K86-E90 PolarHBondContact O-N 3.48Å; T87-E90 PolarHBondContact O-N 3.41Å; E90-K92 PolarHBondContact O-N 3.47Å; E90-A93 WeakPolarHBondContact O-CB 3.34Å; E90-A93 PolarHBondContact O-N 3.49Å; E90-A93 VanDerWaalsContact O-N 3.1Å; E90-E94 WeakPolarHBondContact O-CG 3.4Å; E90-E94 PolarHBondContact O-N 2.85Å |
| 91 | E | 74.9 | Confident | 78.4 | Confident | 92 Ų | 92 | 106.1 Ų | 106.1 | 43% | 0.43 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.6 | -42.6 | 175.5 | -77.2 | -172.8 | -155.5 | 0 | 0 | 112.6 | T87 A93 E94 R95 | T87-E91 WeakPolarHBondContact O-CG 3.04Å; T87-E91 PolarHBondContact O-N 3.44Å; E91-A93 VanDerWaalsContact C-N 3.31Å; E91-A93 PolarHBondContact O-N 3.32Å; E91-E94 PolarHBondContact O-N 3.44Å; E91-R95 WeakPolarHBondContact O-CB 3.38Å; E91-R95 WeakPolarHBondContact O-CG 3.34Å; E91-R95 PolarHBondContact O-N 3.25Å; E91-R95 IonicContact OE2-CZ 2.71Å; E91-R95 IonicContact OE2-NH2 3.41Å; E91-R95 PolarHBondContact OE2-NH2 2.86Å |
| 92 | K | 76.2 | Confident | 78.7 | Confident | 153 Ų | 153 | 106.4 Ų | 106.4 | 67% | 0.665 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.3 | -41.3 | 175.6 | -78.6 | 176.4 | -177.5 | 177.8 | 0 | 111 | A88 G89 E90 L96 | A88-K92 WeakPolarHBondContact O-CB 3.34Å; A88-K92 VanDerWaalsContact O-CG 3.3Å; A88-K92 WeakPolarHBondContact O-CG 3.33Å; A88-K92 PolarHBondContact O-N 2.86Å; A88-K92 VanDerWaalsContact O-N 3.13Å; G89-K92 PolarHBondContact O-N 2.86Å; E90-K92 PolarHBondContact O-N 3.47Å; K92-L96 VanDerWaalsContact O-CB 3.25Å; K92-L96 WeakPolarHBondContact O-CB 3.32Å; K92-L96 PolarHBondContact O-N 3.22Å |
| 93 | A | 77.2 | Confident | 78.9 | Confident | 48 Ų | 48 | 104.6 Ų | 104.6 | 40% | 0.397 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.2 | -40.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | G89 E90 E91 L96 K97 | G89-A93 PolarHBondContact O-N 2.96Å; E90-A93 WeakPolarHBondContact O-CB 3.34Å; E90-A93 PolarHBondContact O-N 3.49Å; E90-A93 VanDerWaalsContact O-N 3.1Å; E91-A93 VanDerWaalsContact C-N 3.31Å; E91-A93 PolarHBondContact O-N 3.32Å; A93-L96 PolarHBondContact O-N 3.19Å; A93-K97 WeakPolarHBondContact O-CG 3.46Å; A93-K97 PolarHBondContact O-N 3.41Å |
| 94 | E | 77.6 | Confident | 79.2 | Confident | 136 Ų | 136 | 102.8 Ų | 102.8 | 64% | 0.636 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.2 | -46.2 | 175.8 | -72.4 | -172.7 | 166.1 | 0 | 0 | 112.6 | E90 E91 L96 K97 S98 | E90-E94 WeakPolarHBondContact O-CG 3.4Å; E90-E94 PolarHBondContact O-N 2.85Å; E91-E94 PolarHBondContact O-N 3.44Å; E94-L96 VanDerWaalsContact C-N 3.27Å; E94-L96 PolarHBondContact O-N 3.41Å; E94-K97 PolarHBondContact O-N 3.22Å; E94-S98 WeakPolarHBondContact O-CB 3.46Å; E94-S98 PolarHBondContact O-N 3.45Å |
| 95 | R | 79.2 | Confident | 79.7 | Confident | 160 Ų | 160 | 101 Ų | 101 | 60% | 0.604 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -58.5 | -41.9 | 174.7 | -72 | -178.8 | -153.1 | -178 | 9.7 | 111.2 | E91 S98 M99 | E91-R95 WeakPolarHBondContact O-CB 3.38Å; E91-R95 WeakPolarHBondContact O-CG 3.34Å; E91-R95 PolarHBondContact O-N 3.25Å; E91-R95 IonicContact OE2-CZ 2.71Å; E91-R95 IonicContact OE2-NH2 3.41Å; E91-R95 PolarHBondContact OE2-NH2 2.86Å; R95-S98 PolarHBondContact O-N 3.41Å; R95-M99 WeakPolarHBondContact O-CB 3.33Å; R95-M99 VanDerWaalsContact O-CG 3.3Å; R95-M99 WeakPolarHBondContact O-CG 3.38Å; R95-M99 PolarHBondContact O-N 3.49Å |
| 96 | L | 79.5 | Confident | 80.4 | Confident | 89 Ų | 89 | 101.4 Ų | 101.4 | 47% | 0.466 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70 | -36.2 | -179.6 | -161.7 | 139 | 0 | 0 | 0 | 112.2 | K92 A93 E94 R100 | K92-L96 VanDerWaalsContact O-CB 3.25Å; K92-L96 WeakPolarHBondContact O-CB 3.32Å; K92-L96 PolarHBondContact O-N 3.22Å; A93-L96 PolarHBondContact O-N 3.19Å; E94-L96 VanDerWaalsContact C-N 3.27Å; E94-L96 PolarHBondContact O-N 3.41Å; L96-R100 VanDerWaalsContact CD2-NE 3.32Å; L96-R100 WeakPolarHBondContact O-CB 3.42Å; L96-R100 VanDerWaalsContact O-CG 3.31Å; L96-R100 WeakPolarHBondContact O-CG 3.49Å; L96-R100 PolarHBondContact O-N 3.22Å |
| 97 | K | 85.6 | Confident | 81.4 | Confident | 148 Ų | 148 | 99.3 Ų | 99.3 | 64% | 0.643 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.4 | -45.2 | 170.3 | -76.6 | 177.2 | -177.8 | 177.9 | 0 | 111.9 | A93 E94 R100 A101 | A93-K97 WeakPolarHBondContact O-CG 3.46Å; A93-K97 PolarHBondContact O-N 3.41Å; E94-K97 PolarHBondContact O-N 3.22Å; K97-R100 PolarHBondContact O-N 2.9Å; K97-A101 PolarHBondContact O-N 3.23Å |
| 98 | S | 83.5 | Confident | 82.1 | Confident | 76 Ų | 76 | 102 Ų | 102 | 53% | 0.531 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 177.7 | -178 | 0 | 0 | 0 | 0 | 112 | E94 R95 R100 A101 Q102 | E94-S98 WeakPolarHBondContact O-CB 3.46Å; E94-S98 PolarHBondContact O-N 3.45Å; R95-S98 PolarHBondContact O-N 3.41Å; S98-R100 VanDerWaalsContact C-N 3.34Å; S98-R100 PolarHBondContact O-N 2.9Å; S98-A101 PolarHBondContact O-N 3.17Å; S98-Q102 WeakPolarHBondContact O-CB 3.47Å; S98-Q102 PolarHBondContact O-N 3.28Å |
| 99 | M | 84.1 | Confident | 82.9 | Confident | 119 Ų | 119 | 104.9 Ų | 104.9 | 59% | 0.586 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.1 | -38.9 | 175.9 | -73.7 | -62.5 | -60.8 | 0 | 0 | 112.7 | R95 A103 | R95-M99 WeakPolarHBondContact O-CB 3.33Å; R95-M99 VanDerWaalsContact O-CG 3.3Å; R95-M99 WeakPolarHBondContact O-CG 3.38Å; R95-M99 PolarHBondContact O-N 3.49Å; M99-A103 WeakPolarHBondContact O-CB 3.42Å; M99-A103 PolarHBondContact O-N 3.5Å |
| 100 | R | 85.9 | Confident | 83.7 | Confident | 161 Ų | 161 | 109.9 Ų | 109.9 | 61% | 0.608 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65 | -46.9 | 174.5 | -76.7 | 177.6 | 179.3 | 174.1 | 1.9 | 111.8 | L96 K97 S98 Q102 A103 E104 | L96-R100 VanDerWaalsContact CD2-NE 3.32Å; L96-R100 WeakPolarHBondContact O-CB 3.42Å; L96-R100 VanDerWaalsContact O-CG 3.31Å; L96-R100 WeakPolarHBondContact O-CG 3.49Å; L96-R100 PolarHBondContact O-N 3.22Å; K97-R100 PolarHBondContact O-N 2.9Å; S98-R100 VanDerWaalsContact C-N 3.34Å; S98-R100 PolarHBondContact O-N 2.9Å; R100-Q102 VanDerWaalsContact C-N 3.29Å; R100-Q102 PolarHBondContact O-N 3.33Å; R100-A103 PolarHBondContact O-N 3.48Å; R100-A103 VanDerWaalsContact O-N 3.17Å; R100-E104 WeakPolarHBondContact O-CG 3.42Å; R100-E104 PolarHBondContact O-N 3.46Å |
| 101 | A | 86.4 | Confident | 84.4 | Confident | 55 Ų | 55 | 109 Ų | 109 | 46% | 0.455 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.4 | -39.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | K97 S98 E104 L105 | K97-A101 PolarHBondContact O-N 3.23Å; S98-A101 PolarHBondContact O-N 3.17Å; A101-E104 PolarHBondContact O-N 2.98Å; A101-L105 WeakPolarHBondContact O-CB 3.32Å; A101-L105 PolarHBondContact O-N 2.95Å |
| 102 | Q | 88.5 | Confident | 85.1 | Confident | 106 Ų | 106 | 109.8 Ų | 109.8 | 50% | 0.495 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.4 | -40.9 | 175.3 | -169.1 | 177.9 | 14.3 | 0 | 0 | 112.2 | S98 R100 L105 L106 | S98-Q102 WeakPolarHBondContact O-CB 3.47Å; S98-Q102 PolarHBondContact O-N 3.28Å; R100-Q102 VanDerWaalsContact C-N 3.29Å; R100-Q102 PolarHBondContact O-N 3.33Å; Q102-L105 PolarHBondContact O-N 3.44Å; Q102-L106 WeakPolarHBondContact O-CG 3.29Å; Q102-L106 PolarHBondContact O-N 3.23Å |
| 103 | A | 85.5 | Confident | 85.7 | Confident | 57 Ų | 57 | 104.6 Ų | 104.6 | 47% | 0.471 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | M99 R100 L105 L106 E107 | M99-A103 WeakPolarHBondContact O-CB 3.42Å; M99-A103 PolarHBondContact O-N 3.5Å; R100-A103 PolarHBondContact O-N 3.48Å; R100-A103 VanDerWaalsContact O-N 3.17Å; A103-L105 PolarHBondContact O-N 3.46Å; A103-L106 PolarHBondContact O-N 2.79Å; A103-E107 WeakPolarHBondContact O-CB 3.38Å; A103-E107 PolarHBondContact O-N 3.36Å |
| 104 | E | 88.2 | Confident | 86.2 | Confident | 115 Ų | 115 | 107.4 Ų | 107.4 | 54% | 0.537 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.1 | -40.4 | 175.7 | -74 | 175.2 | -165.1 | 0 | 0 | 112.2 | R100 A101 E107 K108 | R100-E104 WeakPolarHBondContact O-CG 3.42Å; R100-E104 PolarHBondContact O-N 3.46Å; A101-E104 PolarHBondContact O-N 2.98Å; E104-E107 PolarHBondContact O-N 2.93Å; E104-K108 WeakPolarHBondContact O-CG 3.29Å; E104-K108 PolarHBondContact O-N 3.46Å |
| 105 | L | 88.7 | Confident | 86.7 | Confident | 98 Ų | 98 | 106.8 Ų | 106.8 | 51% | 0.513 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.7 | -44.8 | 176.2 | -176.4 | 67.3 | 0 | 0 | 0 | 111.6 | A101 Q102 A103 E107 K108 Q109 | A101-L105 WeakPolarHBondContact O-CB 3.32Å; A101-L105 PolarHBondContact O-N 2.95Å; Q102-L105 PolarHBondContact O-N 3.44Å; A103-L105 PolarHBondContact O-N 3.46Å; L105-E107 VanDerWaalsContact C-N 3.33Å; L105-K108 PolarHBondContact O-N 3.32Å; L105-Q109 WeakPolarHBondContact O-CG 3.47Å; L105-Q109 PolarHBondContact O-N 3.48Å |
| 106 | L | 88.6 | Confident | 87.3 | Confident | 91 Ų | 91 | 105.4 Ų | 105.4 | 48% | 0.476 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.8 | -36.4 | 177 | -72.2 | 173.4 | 0 | 0 | 0 | 112 | Q102 A103 K110 | Q102-L106 WeakPolarHBondContact O-CG 3.29Å; Q102-L106 PolarHBondContact O-N 3.23Å; A103-L106 PolarHBondContact O-N 2.79Å; L106-K110 WeakPolarHBondContact O-CG 3.29Å; L106-K110 PolarHBondContact O-N 2.87Å |
| 107 | E | 87.5 | Confident | 87.7 | Confident | 103 Ų | 103 | 105 Ų | 105 | 48% | 0.481 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.3 | -43.1 | 175.4 | -165.3 | -173.7 | 155.1 | 0 | 0 | 111.4 | A103 E104 L105 K110 K111 | A103-E107 WeakPolarHBondContact O-CB 3.38Å; A103-E107 PolarHBondContact O-N 3.36Å; E104-E107 PolarHBondContact O-N 2.93Å; L105-E107 VanDerWaalsContact C-N 3.33Å; E107-K110 PolarHBondContact O-N 2.9Å; E107-K111 WeakPolarHBondContact O-CG 3.31Å; E107-K111 PolarHBondContact O-N 3.06Å; E107-K111 WeakPolarHBondContact OE1-CE 3.16Å; E107-K111 IonicContact OE1-NZ 2.78Å; E107-K111 PolarHBondContact OE1-NZ 2.84Å |
| 108 | K | 89.3 | Confident | 88 | Confident | 127 Ų | 127 | 100.7 Ų | 100.7 | 55% | 0.552 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.2 | -47.2 | 173.5 | -75.4 | 177.2 | 179.7 | 177.9 | 0 | 111.8 | E104 L105 K110 K111 E112 | E104-K108 WeakPolarHBondContact O-CG 3.29Å; E104-K108 PolarHBondContact O-N 3.46Å; L105-K108 PolarHBondContact O-N 3.32Å; K108-K110 VanDerWaalsContact C-N 3.3Å; K108-K110 PolarHBondContact O-N 3.36Å; K108-K111 PolarHBondContact O-N 3.13Å; K108-E112 WeakPolarHBondContact O-CG 3.45Å; K108-E112 PolarHBondContact O-N 3.13Å |
| 109 | Q | 88.7 | Confident | 88.1 | Confident | 103 Ų | 103 | 102.4 Ų | 102.4 | 48% | 0.481 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.5 | -38.2 | 177.2 | -74.5 | 177.4 | -7.4 | 0 | 0 | 112.7 | L105 A113 | L105-Q109 WeakPolarHBondContact O-CG 3.47Å; L105-Q109 PolarHBondContact O-N 3.48Å; Q109-A113 WeakPolarHBondContact O-CB 3.4Å; Q109-A113 PolarHBondContact O-N 2.9Å |
| 110 | K | 88 | Confident | 88.3 | Confident | 146 Ų | 146 | 102.4 Ų | 102.4 | 64% | 0.635 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.5 | -46.2 | 174.2 | -77.8 | -176.5 | 176 | -173.9 | 0 | 111.9 | L106 E107 K108 E112 A113 D114 | L106-K110 WeakPolarHBondContact O-CG 3.29Å; L106-K110 PolarHBondContact O-N 2.87Å; E107-K110 PolarHBondContact O-N 2.9Å; K108-K110 VanDerWaalsContact C-N 3.3Å; K108-K110 PolarHBondContact O-N 3.36Å; K110-E112 PolarHBondContact O-N 3.02Å; K110-A113 PolarHBondContact O-N 3.5Å; K110-D114 WeakPolarHBondContact O-CB 3.5Å; K110-D114 VanDerWaalsContact O-CG 3.28Å; K110-D114 PolarHBondContact O-N 3.48Å |
| 111 | K | 88.7 | Confident | 88.5 | Confident | 107 Ų | 107 | 100.5 Ų | 100.5 | 47% | 0.465 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59 | -46.6 | 176.6 | -72.7 | 175.5 | -176.9 | 167.9 | 0 | 111.7 | E107 K108 A113 D114 E115 | E107-K111 WeakPolarHBondContact O-CG 3.31Å; E107-K111 PolarHBondContact O-N 3.06Å; E107-K111 WeakPolarHBondContact OE1-CE 3.16Å; E107-K111 IonicContact OE1-NZ 2.78Å; E107-K111 PolarHBondContact OE1-NZ 2.84Å; K108-K111 PolarHBondContact O-N 3.13Å; K111-A113 VanDerWaalsContact C-N 3.32Å; K111-A113 PolarHBondContact O-N 3.1Å; K111-D114 PolarHBondContact O-N 3.38Å; K111-E115 WeakPolarHBondContact O-CB 3.44Å; K111-E115 VanDerWaalsContact O-CG 3.29Å; K111-E115 WeakPolarHBondContact O-CG 3.43Å; K111-E115 PolarHBondContact O-N 3.26Å |
| 112 | E | 90.2 | Very high | 88.4 | Confident | 107 Ų | 107 | 105.1 Ų | 105.1 | 50% | 0.5 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62 | -37.8 | 176.5 | -71.8 | 174.4 | -167.8 | 0 | 0 | 112.7 | K108 K110 K116 | K108-E112 WeakPolarHBondContact O-CG 3.45Å; K108-E112 PolarHBondContact O-N 3.13Å; K110-E112 PolarHBondContact O-N 3.02Å; E112-K116 WeakPolarHBondContact O-CB 3.35Å; E112-K116 VanDerWaalsContact O-CG 3.28Å; E112-K116 WeakPolarHBondContact O-CG 3.35Å; E112-K116 PolarHBondContact O-N 3.31Å |
| 113 | A | 88.9 | Confident | 88.2 | Confident | 44 Ų | 44 | 103.7 Ų | 103.7 | 36% | 0.364 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.2 | -43.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q109 K110 K111 K116 I117 | Q109-A113 WeakPolarHBondContact O-CB 3.4Å; Q109-A113 PolarHBondContact O-N 2.9Å; K110-A113 PolarHBondContact O-N 3.5Å; K111-A113 VanDerWaalsContact C-N 3.32Å; K111-A113 PolarHBondContact O-N 3.1Å; A113-K116 PolarHBondContact O-N 2.82Å; A113-I117 VanDerWaalsContact O-CG1 3.27Å; A113-I117 WeakPolarHBondContact O-CG1 3.33Å; A113-I117 PolarHBondContact O-N 3.23Å |
| 114 | D | 88 | Confident | 88.1 | Confident | 107 Ų | 107 | 106.2 Ų | 106.2 | 57% | 0.572 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.3 | -40.6 | 177.2 | -70.5 | -22.7 | 0 | 0 | 0 | 111.2 | K110 K111 I117 A118 | K110-D114 WeakPolarHBondContact O-CB 3.5Å; K110-D114 VanDerWaalsContact O-CG 3.28Å; K110-D114 PolarHBondContact O-N 3.48Å; K111-D114 PolarHBondContact O-N 3.38Å; D114-I117 PolarHBondContact O-N 3.1Å; D114-A118 WeakPolarHBondContact O-CB 3.29Å; D114-A118 PolarHBondContact O-N 3.09Å |
| 115 | E | 88.8 | Confident | 87.9 | Confident | 123 Ų | 123 | 108.5 Ų | 108.5 | 58% | 0.575 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62 | -45.4 | 173.7 | -77.1 | 173.3 | -170.8 | 0 | 0 | 111.8 | K111 I117 A118 L119 | K111-E115 WeakPolarHBondContact O-CB 3.44Å; K111-E115 VanDerWaalsContact O-CG 3.29Å; K111-E115 WeakPolarHBondContact O-CG 3.43Å; K111-E115 PolarHBondContact O-N 3.26Å; E115-I117 PolarHBondContact O-N 2.88Å; E115-A118 PolarHBondContact O-N 3.48Å; E115-L119 WeakPolarHBondContact O-CG 3.28Å; E115-L119 PolarHBondContact O-N 2.86Å |
| 116 | K | 89.9 | Confident | 87.5 | Confident | 132 Ų | 132 | 107.8 Ų | 107.8 | 57% | 0.574 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.1 | -45.8 | 175.1 | -77 | 173.4 | -176.6 | 177.3 | 0 | 111.9 | E112 A113 A118 L119 E120 | E112-K116 WeakPolarHBondContact O-CB 3.35Å; E112-K116 VanDerWaalsContact O-CG 3.28Å; E112-K116 WeakPolarHBondContact O-CG 3.35Å; E112-K116 PolarHBondContact O-N 3.31Å; A113-K116 PolarHBondContact O-N 2.82Å; K116-A118 VanDerWaalsContact C-N 3.31Å; K116-A118 PolarHBondContact O-N 2.97Å; K116-L119 PolarHBondContact O-N 3.21Å; K116-E120 WeakPolarHBondContact O-CB 3.4Å; K116-E120 WeakPolarHBondContact O-CG 3.5Å; K116-E120 PolarHBondContact O-N 3.03Å |
| 117 | I | 89.5 | Confident | 87 | Confident | 80 Ų | 80 | 111.6 Ų | 111.6 | 41% | 0.41 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.5 | -39.2 | 177.3 | -67.2 | 164.7 | 0 | 0 | 0 | 110.8 | A113 D114 E115 E120 K121 | A113-I117 VanDerWaalsContact O-CG1 3.27Å; A113-I117 WeakPolarHBondContact O-CG1 3.33Å; A113-I117 PolarHBondContact O-N 3.23Å; D114-I117 PolarHBondContact O-N 3.1Å; E115-I117 PolarHBondContact O-N 2.88Å; I117-E120 PolarHBondContact O-N 3.47Å; I117-K121 HydrophobicContact CG2-CD 4.27Å; I117-K121 WeakPolarHBondContact O-CB 3.39Å; I117-K121 WeakPolarHBondContact O-CG 3.39Å; I117-K121 PolarHBondContact O-N 2.96Å |
| 118 | A | 90.1 | Very high | 86.7 | Confident | 57 Ų | 57 | 112.3 Ų | 112.3 | 47% | 0.471 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D114 E115 K116 K121 Y122 | D114-A118 WeakPolarHBondContact O-CB 3.29Å; D114-A118 PolarHBondContact O-N 3.09Å; E115-A118 PolarHBondContact O-N 3.48Å; K116-A118 VanDerWaalsContact C-N 3.31Å; K116-A118 PolarHBondContact O-N 2.97Å; A118-K121 PolarHBondContact O-N 3.44Å; A118-Y122 WeakPolarHBondContact O-CB 3.46Å; A118-Y122 PolarHBondContact O-N 3.5Å |
| 119 | L | 86.7 | Confident | 86.3 | Confident | 112 Ų | 112 | 112.2 Ų | 112.2 | 59% | 0.586 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.3 | -46.2 | 174.8 | -71.8 | 171.3 | 0 | 0 | 0 | 111.6 | E115 K116 K121 Y122 D123 | E115-L119 WeakPolarHBondContact O-CG 3.28Å; E115-L119 PolarHBondContact O-N 2.86Å; K116-L119 PolarHBondContact O-N 3.21Å; L119-K121 VanDerWaalsContact C-N 3.32Å; L119-K121 PolarHBondContact O-N 2.99Å; L119-Y122 WeakPolarHBondContact O-CB 3.27Å; L119-Y122 PolarHBondContact O-N 2.89Å; L119-Y122 VanDerWaalsContact O-N 3.14Å; L119-D123 WeakPolarHBondContact O-CB 3.47Å; L119-D123 PolarHBondContact O-N 3.34Å |
| 120 | E | 88.3 | Confident | 85.8 | Confident | 120 Ų | 120 | 109.9 Ų | 109.9 | 56% | 0.561 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.5 | -41.7 | 176.3 | -75.2 | 175.3 | -176.4 | 0 | 0 | 112.1 | K116 I117 D123 Q124 | K116-E120 WeakPolarHBondContact O-CB 3.4Å; K116-E120 WeakPolarHBondContact O-CG 3.5Å; K116-E120 PolarHBondContact O-N 3.03Å; I117-E120 PolarHBondContact O-N 3.47Å; E120-D123 PolarHBondContact O-N 2.92Å; E120-Q124 WeakPolarHBondContact O-CB 3.23Å; E120-Q124 VanDerWaalsContact O-CG 3.32Å; E120-Q124 WeakPolarHBondContact O-CG 3.22Å; E120-Q124 PolarHBondContact O-N 3.5Å |
| 121 | K | 89 | Confident | 85.4 | Confident | 121 Ų | 121 | 105.3 Ų | 105.3 | 53% | 0.526 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67 | -37.1 | 175.3 | -76.4 | -179.5 | 179.1 | 179.5 | 0 | 112.5 | I117 A118 L119 R125 | I117-K121 HydrophobicContact CG2-CD 4.27Å; I117-K121 WeakPolarHBondContact O-CB 3.39Å; I117-K121 WeakPolarHBondContact O-CG 3.39Å; I117-K121 PolarHBondContact O-N 2.96Å; A118-K121 PolarHBondContact O-N 3.44Å; L119-K121 VanDerWaalsContact C-N 3.32Å; L119-K121 PolarHBondContact O-N 2.99Å; K121-R125 WeakPolarHBondContact O-CG 3.43Å; K121-R125 PolarHBondContact O-N 3.5Å |
| 122 | Y | 84.5 | Confident | 85 | Confident | 151 Ų | 151 | 106.4 Ų | 106.4 | 59% | 0.592 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.5 | -45.3 | 175.5 | -172.5 | -94 | 0 | 0 | 0 | 110.9 | A118 L119 Q124 R125 L126 | A118-Y122 WeakPolarHBondContact O-CB 3.46Å; A118-Y122 PolarHBondContact O-N 3.5Å; L119-Y122 WeakPolarHBondContact O-CB 3.27Å; L119-Y122 PolarHBondContact O-N 2.89Å; L119-Y122 VanDerWaalsContact O-N 3.14Å; Y122-Q124 PolarHBondContact O-N 3.35Å; Y122-R125 PolarHBondContact O-N 3.02Å; Y122-L126 HydrophobicContact CE1-CD1 4.46Å; Y122-L126 WeakPolarHBondContact O-CB 3.48Å; Y122-L126 PolarHBondContact O-N 3.31Å |
| 123 | D | 85.2 | Confident | 84.6 | Confident | 76 Ų | 76 | 106.6 Ų | 106.6 | 41% | 0.406 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 175.4 | -86.9 | 5.5 | 0 | 0 | 0 | 112.5 | L119 E120 L126 R127 | L119-D123 WeakPolarHBondContact O-CB 3.47Å; L119-D123 PolarHBondContact O-N 3.34Å; E120-D123 PolarHBondContact O-N 2.92Å; D123-L126 PolarHBondContact O-N 3.09Å; D123-R127 VanDerWaalsContact O-CG 3.26Å; D123-R127 WeakPolarHBondContact O-CG 3.47Å; D123-R127 PolarHBondContact O-N 3.46Å |
| 124 | Q | 84 | Confident | 84.4 | Confident | 111 Ų | 111 | 112.6 Ų | 112.6 | 52% | 0.519 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.6 | -49.4 | 174.3 | -79.9 | 174.9 | 0.9 | 0 | 0 | 111.3 | E120 Y122 L126 R127 E128 | E120-Q124 WeakPolarHBondContact O-CB 3.23Å; E120-Q124 VanDerWaalsContact O-CG 3.32Å; E120-Q124 WeakPolarHBondContact O-CG 3.22Å; E120-Q124 PolarHBondContact O-N 3.5Å; Y122-Q124 PolarHBondContact O-N 3.35Å; Q124-L126 VanDerWaalsContact C-N 3.32Å; Q124-L126 PolarHBondContact O-N 3.37Å; Q124-R127 PolarHBondContact O-N 2.93Å; Q124-R127 VanDerWaalsContact O-N 3.15Å; Q124-E128 WeakPolarHBondContact O-CG 3.28Å; Q124-E128 PolarHBondContact O-N 3.41Å |
| 125 | R | 83.4 | Confident | 84.2 | Confident | 163 Ų | 163 | 113 Ų | 113 | 62% | 0.615 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -58.9 | -43.5 | 176.2 | -73.9 | 179.7 | -174.3 | -178.7 | 1.8 | 112 | K121 Y122 R127 E128 E129 | K121-R125 WeakPolarHBondContact O-CG 3.43Å; K121-R125 PolarHBondContact O-N 3.5Å; Y122-R125 PolarHBondContact O-N 3.02Å; R125-R127 VanDerWaalsContact C-N 3.31Å; R125-R127 PolarHBondContact O-N 3.2Å; R125-E128 PolarHBondContact O-N 3.03Å; R125-E129 WeakPolarHBondContact O-CB 3.44Å; R125-E129 WeakPolarHBondContact O-CG 3.38Å; R125-E129 PolarHBondContact O-N 3.25Å |
| 126 | L | 80.8 | Confident | 84 | Confident | 82 Ų | 82 | 111.1 Ų | 111.1 | 43% | 0.429 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 177.7 | -165.8 | 103.6 | 0 | 0 | 0 | 111.4 | Y122 D123 Q124 C130 | Y122-L126 HydrophobicContact CE1-CD1 4.46Å; Y122-L126 WeakPolarHBondContact O-CB 3.48Å; Y122-L126 PolarHBondContact O-N 3.31Å; D123-L126 PolarHBondContact O-N 3.09Å; Q124-L126 VanDerWaalsContact C-N 3.32Å; Q124-L126 PolarHBondContact O-N 3.37Å; L126-C130 WeakPolarHBondContact O-CB 3.45Å; L126-C130 PolarHBondContact O-N 3.38Å; L126-C130 PolarHBondContact O-SG 3.05Å |
| 127 | R | 78 | Confident | 83.6 | Confident | 171 Ų | 171 | 109.4 Ų | 109.4 | 65% | 0.645 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66 | -41.5 | 176.2 | -71.7 | 175.2 | -157.8 | -150.6 | 6.2 | 112 | D123 Q124 R125 A131 | D123-R127 VanDerWaalsContact O-CG 3.26Å; D123-R127 WeakPolarHBondContact O-CG 3.47Å; D123-R127 PolarHBondContact O-N 3.46Å; Q124-R127 PolarHBondContact O-N 2.93Å; Q124-R127 VanDerWaalsContact O-N 3.15Å; R125-R127 VanDerWaalsContact C-N 3.31Å; R125-R127 PolarHBondContact O-N 3.2Å; R127-A131 VanDerWaalsContact O-CB 3.25Å; R127-A131 WeakPolarHBondContact O-CB 3.45Å; R127-A131 PolarHBondContact O-N 2.93Å |
| 128 | E | 80.9 | Confident | 83.6 | Confident | 119 Ų | 119 | 109.3 Ų | 109.3 | 56% | 0.556 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.9 | -51.8 | 177 | -72.7 | 170.4 | 177.9 | 0 | 0 | 111 | Q124 R125 C130 A131 E132 | Q124-E128 WeakPolarHBondContact O-CG 3.28Å; Q124-E128 PolarHBondContact O-N 3.41Å; R125-E128 PolarHBondContact O-N 3.03Å; E128-C130 VanDerWaalsContact C-N 3.3Å; E128-C130 PolarHBondContact O-N 3.02Å; E128-A131 WeakPolarHBondContact O-CA 3.33Å; E128-A131 WeakPolarHBondContact O-CB 3.3Å; E128-A131 PolarHBondContact O-N 2.91Å; E128-E132 PolarHBondContact O-N 2.87Å |
| 129 | E | 81.5 | Confident | 83.6 | Confident | 125 Ų | 125 | 111 Ų | 111 | 58% | 0.584 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.6 | -42.4 | 176.5 | -72.6 | 176.4 | -175.9 | 0 | 0 | 111.3 | R125 A131 L133 | R125-E129 WeakPolarHBondContact O-CB 3.44Å; R125-E129 WeakPolarHBondContact O-CG 3.38Å; R125-E129 PolarHBondContact O-N 3.25Å; E129-A131 VanDerWaalsContact C-N 3.33Å; E129-A131 PolarHBondContact O-N 2.86Å; E129-L133 VanDerWaalsContact O-CB 3.31Å; E129-L133 WeakPolarHBondContact O-CB 3.4Å; E129-L133 PolarHBondContact O-N 3.16Å |
| 130 | C | 77.5 | Confident | 83.6 | Confident | 53 Ų | 53 | 113.1 Ų | 113.1 | 36% | 0.358 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.2 | -28.1 | 174.9 | -78.8 | 0 | 0 | 0 | 0 | 113.5 | L126 E128 R134 | L126-C130 WeakPolarHBondContact O-CB 3.45Å; L126-C130 PolarHBondContact O-N 3.38Å; L126-C130 PolarHBondContact O-SG 3.05Å; E128-C130 VanDerWaalsContact C-N 3.3Å; E128-C130 PolarHBondContact O-N 3.02Å; C130-R134 VanDerWaalsContact O-CB 3.26Å; C130-R134 WeakPolarHBondContact O-CB 3.47Å; C130-R134 VanDerWaalsContact O-CG 3.25Å; C130-R134 WeakPolarHBondContact O-CG 3.4Å; C130-R134 PolarHBondContact O-N 2.88Å; C130-R134 PolarHBondContact O-NE 3.35Å |
| 131 | A | 80.2 | Confident | 83.6 | Confident | 51 Ų | 51 | 115.7 Ų | 115.7 | 42% | 0.421 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -74 | -43.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | R127 E128 E129 R134 Q135 | R127-A131 VanDerWaalsContact O-CB 3.25Å; R127-A131 WeakPolarHBondContact O-CB 3.45Å; R127-A131 PolarHBondContact O-N 2.93Å; E128-A131 WeakPolarHBondContact O-CA 3.33Å; E128-A131 WeakPolarHBondContact O-CB 3.3Å; E128-A131 PolarHBondContact O-N 2.91Å; E129-A131 VanDerWaalsContact C-N 3.33Å; E129-A131 PolarHBondContact O-N 2.86Å; A131-R134 PolarHBondContact O-N 3.48Å; A131-Q135 WeakPolarHBondContact O-CB 3.23Å; A131-Q135 PolarHBondContact O-N 3.17Å |
| 132 | E | 79.1 | Confident | 83.6 | Confident | 130 Ų | 130 | 112.4 Ų | 112.4 | 61% | 0.607 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.6 | -46.6 | 172.5 | -69.8 | -177.1 | 175.9 | 0 | 0 | 111 | E128 R134 Q135 E136 | E128-E132 PolarHBondContact O-N 2.87Å; E132-R134 PolarHBondContact O-N 3.43Å; E132-Q135 PolarHBondContact O-N 3.35Å; E132-E136 PolarHBondContact O-N 2.9Å |
| 133 | L | 82.3 | Confident | 84 | Confident | 110 Ų | 110 | 110.7 Ų | 110.7 | 58% | 0.576 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.9 | -41.2 | 177.2 | -160 | 112.1 | 0 | 0 | 0 | 111.9 | E129 Q135 E136 L137 | E129-L133 VanDerWaalsContact O-CB 3.31Å; E129-L133 WeakPolarHBondContact O-CB 3.4Å; E129-L133 PolarHBondContact O-N 3.16Å; L133-Q135 VanDerWaalsContact C-N 3.35Å; L133-E136 PolarHBondContact O-N 2.91Å; L133-L137 HydrophobicContact CD2-CD1 3.9Å; L133-L137 HydrophobicContact CG-CD1 4.48Å; L133-L137 WeakPolarHBondContact O-CB 3.47Å; L133-L137 VanDerWaalsContact O-CG 3.28Å; L133-L137 WeakPolarHBondContact O-CG 3.3Å; L133-L137 PolarHBondContact O-N 2.97Å |
| 134 | R | 83.8 | Confident | 84.1 | Confident | 170 Ų | 170 | 112.8 Ų | 112.8 | 64% | 0.642 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.8 | -40.7 | 173.8 | -85.9 | -177.3 | -99.8 | -179.3 | -10.8 | 112 | C130 A131 E132 S138 | C130-R134 VanDerWaalsContact O-CB 3.26Å; C130-R134 WeakPolarHBondContact O-CB 3.47Å; C130-R134 VanDerWaalsContact O-CG 3.25Å; C130-R134 WeakPolarHBondContact O-CG 3.4Å; C130-R134 PolarHBondContact O-N 2.88Å; C130-R134 PolarHBondContact O-NE 3.35Å; A131-R134 PolarHBondContact O-N 3.48Å; E132-R134 PolarHBondContact O-N 3.43Å; R134-S138 VanDerWaalsContact O-CB 3.22Å; R134-S138 WeakPolarHBondContact O-CB 3.28Å; R134-S138 PolarHBondContact O-N 3.46Å |
| 135 | Q | 84.3 | Confident | 84.4 | Confident | 115 Ų | 115 | 111.7 Ų | 111.7 | 54% | 0.537 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.2 | -43.1 | 178.4 | -166.3 | -177.4 | 10.6 | 0 | 0 | 111.1 | A131 E132 L133 S138 K139 | A131-Q135 WeakPolarHBondContact O-CB 3.23Å; A131-Q135 PolarHBondContact O-N 3.17Å; E132-Q135 PolarHBondContact O-N 3.35Å; L133-Q135 VanDerWaalsContact C-N 3.35Å; Q135-S138 PolarHBondContact O-N 3.38Å; Q135-K139 WeakPolarHBondContact O-CG 3.3Å; Q135-K139 PolarHBondContact O-N 3.03Å |
| 136 | E | 84.1 | Confident | 84.7 | Confident | 84 Ų | 84 | 106.2 Ų | 106.2 | 39% | 0.393 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.5 | -43.5 | 175.8 | -77.6 | -58.3 | 130.3 | 0 | 0 | 112.4 | E132 L133 S138 K139 R140 | E132-E136 PolarHBondContact O-N 2.9Å; L133-E136 PolarHBondContact O-N 2.91Å; E136-S138 VanDerWaalsContact C-N 3.31Å; E136-S138 PolarHBondContact O-N 2.93Å; E136-K139 PolarHBondContact O-N 3.47Å; E136-K139 IonicContact OE1-NZ 3.35Å; E136-K139 PolarHBondContact OE1-NZ 2.98Å; E136-R140 WeakPolarHBondContact O-CG 3.35Å; E136-R140 PolarHBondContact O-N 3.4Å |
| 137 | L | 82.2 | Confident | 85.1 | Confident | 97 Ų | 97 | 107.9 Ų | 107.9 | 51% | 0.508 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 173 | -74.7 | 173.8 | 0 | 0 | 0 | 111.8 | L133 R140 R141 | L133-L137 HydrophobicContact CD2-CD1 3.9Å; L133-L137 HydrophobicContact CG-CD1 4.48Å; L133-L137 WeakPolarHBondContact O-CB 3.47Å; L133-L137 VanDerWaalsContact O-CG 3.28Å; L133-L137 WeakPolarHBondContact O-CG 3.3Å; L133-L137 PolarHBondContact O-N 2.97Å; L137-R140 PolarHBondContact O-N 3.47Å; L137-R141 WeakPolarHBondContact O-CB 3.41Å; L137-R141 PolarHBondContact O-N 3.04Å |
| 138 | S | 88.6 | Confident | 85.7 | Confident | 78 Ų | 78 | 104 Ų | 104 | 55% | 0.545 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 176.4 | 180 | 0 | 0 | 0 | 0 | 112.1 | R134 Q135 E136 R141 A142 | R134-S138 VanDerWaalsContact O-CB 3.22Å; R134-S138 WeakPolarHBondContact O-CB 3.28Å; R134-S138 PolarHBondContact O-N 3.46Å; Q135-S138 PolarHBondContact O-N 3.38Å; E136-S138 VanDerWaalsContact C-N 3.31Å; E136-S138 PolarHBondContact O-N 2.93Å; S138-R141 PolarHBondContact O-N 3.37Å; S138-A142 WeakPolarHBondContact O-CB 3.47Å; S138-A142 PolarHBondContact O-N 3.46Å |
| 139 | K | 90.2 | Very high | 86.2 | Confident | 93 Ų | 93 | 102.5 Ų | 102.5 | 40% | 0.404 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.5 | -45.5 | 174.4 | -72.8 | 173.9 | -170 | 165.2 | 0 | 111.8 | Q135 E136 R141 A142 N143 | Q135-K139 WeakPolarHBondContact O-CG 3.3Å; Q135-K139 PolarHBondContact O-N 3.03Å; E136-K139 PolarHBondContact O-N 3.47Å; E136-K139 IonicContact OE1-NZ 3.35Å; E136-K139 PolarHBondContact OE1-NZ 2.98Å; K139-R141 PolarHBondContact O-N 3.07Å; K139-A142 PolarHBondContact O-N 3.44Å; K139-N143 VanDerWaalsContact O-CG 3.28Å; K139-N143 PolarHBondContact O-N 3.04Å; K139-N143 PolarHBondContact O-ND2 2.91Å |
| 140 | R | 86.6 | Confident | 86.7 | Confident | 155 Ų | 155 | 101.4 Ų | 101.4 | 59% | 0.585 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.8 | -48.2 | 176.7 | -74.2 | 179.8 | -172.7 | -173.1 | 2.5 | 111.1 | E136 L137 A142 N143 E144 | E136-R140 WeakPolarHBondContact O-CG 3.35Å; E136-R140 PolarHBondContact O-N 3.4Å; L137-R140 PolarHBondContact O-N 3.47Å; R140-A142 VanDerWaalsContact C-N 3.33Å; R140-A142 PolarHBondContact O-N 3.48Å; R140-N143 WeakPolarHBondContact O-CB 3.42Å; R140-N143 PolarHBondContact O-N 3.03Å; R140-N143 VanDerWaalsContact O-N 3.16Å; R140-E144 WeakPolarHBondContact O-CG 3.32Å; R140-E144 PolarHBondContact O-N 3.39Å |
| 141 | R | 89 | Confident | 87.4 | Confident | 174 Ų | 174 | 102.2 Ų | 102.2 | 66% | 0.657 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.4 | -40.4 | 176.9 | -169.2 | 175.4 | -175.8 | -177.9 | 1.8 | 112.4 | L137 S138 K139 E144 I145 | L137-R141 WeakPolarHBondContact O-CB 3.41Å; L137-R141 PolarHBondContact O-N 3.04Å; S138-R141 PolarHBondContact O-N 3.37Å; K139-R141 PolarHBondContact O-N 3.07Å; R141-E144 PolarHBondContact O-N 3.26Å; R141-I145 HydrophobicContact CG-CD1 4.1Å; R141-I145 WeakPolarHBondContact O-CB 3.22Å; R141-I145 WeakPolarHBondContact O-CD1 3.46Å; R141-I145 WeakPolarHBondContact O-CG1 3.43Å; R141-I145 PolarHBondContact O-N 3.37Å |
| 142 | A | 89.1 | Confident | 87.8 | Confident | 53 Ų | 53 | 105.6 Ų | 105.6 | 44% | 0.438 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | S138 K139 R140 I145 A146 | S138-A142 WeakPolarHBondContact O-CB 3.47Å; S138-A142 PolarHBondContact O-N 3.46Å; K139-A142 PolarHBondContact O-N 3.44Å; R140-A142 VanDerWaalsContact C-N 3.33Å; R140-A142 PolarHBondContact O-N 3.48Å; A142-I145 PolarHBondContact O-N 3.38Å; A142-A146 WeakPolarHBondContact O-CB 3.49Å; A142-A146 PolarHBondContact O-N 3.18Å |
| 143 | N | 92.2 | Very high | 88.3 | Confident | 114 Ų | 114 | 103.7 Ų | 103.7 | 61% | 0.61 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.6 | -39.8 | 176 | -70.4 | -17.9 | 0 | 0 | 0 | 112.3 | K139 R140 A146 H147 | K139-N143 VanDerWaalsContact O-CG 3.28Å; K139-N143 PolarHBondContact O-N 3.04Å; K139-N143 PolarHBondContact O-ND2 2.91Å; R140-N143 WeakPolarHBondContact O-CB 3.42Å; R140-N143 PolarHBondContact O-N 3.03Å; R140-N143 VanDerWaalsContact O-N 3.16Å; N143-A146 PolarHBondContact O-N 3.2Å; N143-H147 WeakPolarHBondContact O-CB 3.44Å; N143-H147 PolarHBondContact O-N 3.47Å |
| 144 | E | 89.1 | Confident | 88.8 | Confident | 121 Ų | 121 | 103.3 Ų | 103.3 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.9 | -48.4 | 173.5 | -73.7 | 167.5 | -173.3 | 0 | 0 | 110.8 | R140 R141 A146 H147 D148 | R140-E144 WeakPolarHBondContact O-CG 3.32Å; R140-E144 PolarHBondContact O-N 3.39Å; R141-E144 PolarHBondContact O-N 3.26Å; E144-A146 VanDerWaalsContact C-N 3.32Å; E144-A146 PolarHBondContact O-N 2.9Å; E144-H147 PolarHBondContact O-N 2.99Å; E144-H147 VanDerWaalsContact O-N 3.17Å; E144-D148 PolarHBondContact O-N 3.08Å |
| 145 | I | 90.2 | Very high | 89 | Confident | 88 Ų | 88 | 101.1 Ų | 101.1 | 45% | 0.451 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.5 | -43 | 175.9 | -68.1 | 164.9 | 0 | 0 | 0 | 111 | R141 A142 H147 D148 L149 | R141-I145 HydrophobicContact CG-CD1 4.1Å; R141-I145 WeakPolarHBondContact O-CB 3.22Å; R141-I145 WeakPolarHBondContact O-CD1 3.46Å; R141-I145 WeakPolarHBondContact O-CG1 3.43Å; R141-I145 PolarHBondContact O-N 3.37Å; A142-I145 PolarHBondContact O-N 3.38Å; I145-H147 VanDerWaalsContact C-N 3.35Å; I145-D148 PolarHBondContact O-N 3.44Å; I145-L149 HydrophobicContact CG2-CD1 3.85Å; I145-L149 HydrophobicContact CG2-CG 4.38Å; I145-L149 WeakPolarHBondContact O-CB 3.48Å; I145-L149 VanDerWaalsContact O-CG 3.23Å; I145-L149 WeakPolarHBondContact O-CG 3.25Å; I145-L149 PolarHBondContact O-N 2.87Å |
| 146 | A | 89.7 | Confident | 89.4 | Confident | 47 Ų | 47 | 102.3 Ų | 102.3 | 39% | 0.388 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.2 | -39.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A142 N143 E144 L149 L150 | A142-A146 WeakPolarHBondContact O-CB 3.49Å; A142-A146 PolarHBondContact O-N 3.18Å; N143-A146 PolarHBondContact O-N 3.2Å; E144-A146 VanDerWaalsContact C-N 3.32Å; E144-A146 PolarHBondContact O-N 2.9Å; A146-L149 PolarHBondContact O-N 3.16Å; A146-L150 WeakPolarHBondContact O-CG 3.47Å; A146-L150 PolarHBondContact O-N 3.2Å |
| 147 | H | 89.3 | Confident | 89.7 | Confident | 117 Ų | 117 | 104.1 Ų | 104.1 | 54% | 0.542 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.8 | -45.3 | 176.5 | -168.8 | 63.3 | 0 | 0 | 0 | 111.8 | N143 E144 I145 L149 L150 I151 | N143-H147 WeakPolarHBondContact O-CB 3.44Å; N143-H147 PolarHBondContact O-N 3.47Å; E144-H147 PolarHBondContact O-N 2.99Å; E144-H147 VanDerWaalsContact O-N 3.17Å; I145-H147 VanDerWaalsContact C-N 3.35Å; H147-L149 VanDerWaalsContact C-N 3.32Å; H147-L149 PolarHBondContact O-N 3.46Å; H147-L150 WeakPolarHBondContact O-CB 3.5Å; H147-L150 PolarHBondContact O-N 2.83Å; H147-I151 WeakPolarHBondContact O-CG1 3.46Å; H147-I151 PolarHBondContact O-N 3.18Å |
| 148 | D | 90.6 | Very high | 90 | Very high | 89 Ų | 89 | 106 Ų | 106 | 48% | 0.476 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 176 | -74.1 | -14.7 | 0 | 0 | 0 | 111.6 | E144 I145 I151 Q152 | E144-D148 PolarHBondContact O-N 3.08Å; I145-D148 PolarHBondContact O-N 3.44Å; D148-I151 PolarHBondContact O-N 3.41Å; D148-Q152 WeakPolarHBondContact O-CB 3.21Å; D148-Q152 VanDerWaalsContact O-CG 3.3Å; D148-Q152 WeakPolarHBondContact O-CG 3.49Å; D148-Q152 PolarHBondContact O-N 2.91Å |
| 149 | L | 90.5 | Very high | 90 | Very high | 89 Ų | 89 | 107.3 Ų | 107.3 | 47% | 0.466 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63 | -41 | 175.3 | -76.9 | 168.9 | 0 | 0 | 0 | 112 | I145 A146 H147 Q152 I153 | I145-L149 HydrophobicContact CG2-CD1 3.85Å; I145-L149 HydrophobicContact CG2-CG 4.38Å; I145-L149 WeakPolarHBondContact O-CB 3.48Å; I145-L149 VanDerWaalsContact O-CG 3.23Å; I145-L149 WeakPolarHBondContact O-CG 3.25Å; I145-L149 PolarHBondContact O-N 2.87Å; A146-L149 PolarHBondContact O-N 3.16Å; H147-L149 VanDerWaalsContact C-N 3.32Å; H147-L149 PolarHBondContact O-N 3.46Å; L149-Q152 PolarHBondContact O-N 3.26Å; L149-I153 WeakPolarHBondContact O-CD1 3.31Å; L149-I153 VanDerWaalsContact O-CG1 3.27Å; L149-I153 WeakPolarHBondContact O-CG1 3.41Å; L149-I153 PolarHBondContact O-N 2.89Å |
| 150 | L | 92.3 | Very high | 90 | Very high | 101 Ų | 101 | 106.4 Ų | 106.4 | 53% | 0.529 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 174.7 | -78.5 | 167.3 | 0 | 0 | 0 | 111.4 | A146 H147 Q152 I153 E154 | A146-L150 WeakPolarHBondContact O-CG 3.47Å; A146-L150 PolarHBondContact O-N 3.2Å; H147-L150 WeakPolarHBondContact O-CB 3.5Å; H147-L150 PolarHBondContact O-N 2.83Å; L150-Q152 VanDerWaalsContact C-N 3.33Å; L150-Q152 PolarHBondContact O-N 3.49Å; L150-I153 PolarHBondContact O-N 2.95Å; L150-E154 WeakPolarHBondContact O-CG 3.37Å; L150-E154 PolarHBondContact O-N 3.45Å |
| 151 | I | 91.5 | Very high | 90.1 | Very high | 70 Ų | 70 | 103.5 Ų | 103.5 | 36% | 0.359 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 176.4 | -66.6 | 167.7 | 0 | 0 | 0 | 110.7 | H147 D148 I153 E154 M155 | H147-I151 WeakPolarHBondContact O-CG1 3.46Å; H147-I151 PolarHBondContact O-N 3.18Å; D148-I151 PolarHBondContact O-N 3.41Å; I151-I153 PolarHBondContact O-N 3.46Å; I151-E154 PolarHBondContact O-N 3.21Å; I151-M155 HydrophobicContact CG2-CG 4.37Å; I151-M155 HydrophobicContact CG2-SD 4.19Å; I151-M155 WeakPolarHBondContact O-CB 3.5Å; I151-M155 WeakPolarHBondContact O-CG 3.39Å; I151-M155 PolarHBondContact O-N 3.5Å |
| 152 | Q | 88.5 | Confident | 89.9 | Confident | 122 Ų | 122 | 100 Ų | 100 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.4 | -41.4 | 176.9 | -75.1 | 177.6 | 22.5 | 0 | 0 | 112.1 | D148 L149 L150 M155 K156 | D148-Q152 WeakPolarHBondContact O-CB 3.21Å; D148-Q152 VanDerWaalsContact O-CG 3.3Å; D148-Q152 WeakPolarHBondContact O-CG 3.49Å; D148-Q152 PolarHBondContact O-N 2.91Å; L149-Q152 PolarHBondContact O-N 3.26Å; L150-Q152 VanDerWaalsContact C-N 3.33Å; L150-Q152 PolarHBondContact O-N 3.49Å; Q152-M155 PolarHBondContact O-N 3.22Å; Q152-K156 VanDerWaalsContact O-CB 3.23Å; Q152-K156 WeakPolarHBondContact O-CB 3.48Å; Q152-K156 PolarHBondContact O-N 3.44Å |
| 153 | I | 90.9 | Very high | 89.8 | Confident | 90 Ų | 90 | 101.3 Ų | 101.3 | 46% | 0.462 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.2 | -47.4 | 175.4 | -71.4 | 160 | 0 | 0 | 0 | 110.3 | L149 L150 I151 M155 K156 Q157 | L149-I153 WeakPolarHBondContact O-CD1 3.31Å; L149-I153 VanDerWaalsContact O-CG1 3.27Å; L149-I153 WeakPolarHBondContact O-CG1 3.41Å; L149-I153 PolarHBondContact O-N 2.89Å; L150-I153 PolarHBondContact O-N 2.95Å; I151-I153 PolarHBondContact O-N 3.46Å; I153-M155 PolarHBondContact O-N 2.91Å; I153-K156 PolarHBondContact O-N 3.47Å; I153-Q157 HydrophobicContact CG2-CG 4.42Å; I153-Q157 WeakPolarHBondContact O-CB 3.34Å; I153-Q157 VanDerWaalsContact O-CG 3.29Å; I153-Q157 WeakPolarHBondContact O-CG 3.4Å; I153-Q157 PolarHBondContact O-N 2.95Å |
| 154 | E | 91.1 | Very high | 89.4 | Confident | 103 Ų | 103 | 102.9 Ų | 102.9 | 48% | 0.481 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62 | -43.3 | 177.6 | -74.5 | -174 | -174.6 | 0 | 0 | 112.4 | L150 I151 Q157 K158 | L150-E154 WeakPolarHBondContact O-CG 3.37Å; L150-E154 PolarHBondContact O-N 3.45Å; I151-E154 PolarHBondContact O-N 3.21Å; E154-Q157 PolarHBondContact O-N 3.4Å; E154-K158 WeakPolarHBondContact O-CG 3.45Å; E154-K158 PolarHBondContact O-N 3.14Å |
| 155 | M | 89.2 | Confident | 89 | Confident | 124 Ų | 124 | 104 Ų | 104 | 61% | 0.611 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.5 | -46.4 | 175.7 | -80.4 | -174.4 | 61.6 | 0 | 0 | 111.2 | I151 Q152 I153 Q157 K158 Q159 | I151-M155 HydrophobicContact CG2-CG 4.37Å; I151-M155 HydrophobicContact CG2-SD 4.19Å; I151-M155 WeakPolarHBondContact O-CB 3.5Å; I151-M155 WeakPolarHBondContact O-CG 3.39Å; I151-M155 PolarHBondContact O-N 3.5Å; Q152-M155 PolarHBondContact O-N 3.22Å; I153-M155 PolarHBondContact O-N 2.91Å; M155-Q157 VanDerWaalsContact C-N 3.34Å; M155-Q157 PolarHBondContact O-N 2.96Å; M155-K158 PolarHBondContact O-N 2.9Å; M155-Q159 WeakPolarHBondContact O-CB 3.38Å; M155-Q159 PolarHBondContact O-N 3.22Å |
| 156 | K | 92.2 | Very high | 88.5 | Confident | 139 Ų | 139 | 105.9 Ų | 105.9 | 60% | 0.604 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.9 | -38 | 178.9 | -166.8 | 175.6 | -175.6 | 178.4 | 0 | 111.6 | Q152 I153 Q159 N160 | Q152-K156 VanDerWaalsContact O-CB 3.23Å; Q152-K156 WeakPolarHBondContact O-CB 3.48Å; Q152-K156 PolarHBondContact O-N 3.44Å; I153-K156 PolarHBondContact O-N 3.47Å; K156-Q159 PolarHBondContact O-N 3.46Å; K156-N160 WeakPolarHBondContact O-CB 3.35Å; K156-N160 PolarHBondContact O-N 2.96Å; K156-N160 PolarHBondContact O-ND2 3.48Å; K156-N160 PolarHBondContact O-OD1 3.14Å |
| 157 | Q | 90.5 | Very high | 88 | Confident | 122 Ų | 122 | 107.8 Ų | 107.8 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.1 | -45.7 | 173.1 | -75.7 | 176.8 | -2.6 | 0 | 0 | 111.8 | I153 E154 M155 N160 L161 | I153-Q157 HydrophobicContact CG2-CG 4.42Å; I153-Q157 WeakPolarHBondContact O-CB 3.34Å; I153-Q157 VanDerWaalsContact O-CG 3.29Å; I153-Q157 WeakPolarHBondContact O-CG 3.4Å; I153-Q157 PolarHBondContact O-N 2.95Å; E154-Q157 PolarHBondContact O-N 3.4Å; M155-Q157 VanDerWaalsContact C-N 3.34Å; M155-Q157 PolarHBondContact O-N 2.96Å; Q157-N160 PolarHBondContact O-N 3.09Å; Q157-L161 WeakPolarHBondContact O-CB 3.37Å; Q157-L161 PolarHBondContact O-N 2.87Å |
| 158 | K | 88.7 | Confident | 87.5 | Confident | 136 Ų | 136 | 106.7 Ų | 106.7 | 59% | 0.591 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.4 | -42.3 | 175.9 | -73.8 | 172.7 | -175.3 | 165.2 | 0 | 111.9 | E154 M155 L161 L162 | E154-K158 WeakPolarHBondContact O-CG 3.45Å; E154-K158 PolarHBondContact O-N 3.14Å; M155-K158 PolarHBondContact O-N 2.9Å; K158-L161 PolarHBondContact O-N 3.49Å; K158-L162 WeakPolarHBondContact O-CG 3.23Å; K158-L162 PolarHBondContact O-N 3.11Å |
| 159 | Q | 89.4 | Confident | 86.7 | Confident | 106 Ų | 106 | 110 Ų | 110 | 50% | 0.495 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.2 | -47.8 | 176.7 | -174.6 | 175 | -10.4 | 0 | 0 | 111.4 | M155 K156 L161 L162 E163 | M155-Q159 WeakPolarHBondContact O-CB 3.38Å; M155-Q159 PolarHBondContact O-N 3.22Å; K156-Q159 PolarHBondContact O-N 3.46Å; Q159-L161 PolarHBondContact O-N 3.36Å; Q159-L162 CarbonylContact O-C 3.6Å; Q159-L162 PolarHBondContact O-N 3.09Å; Q159-L162 VanDerWaalsContact O-N 3.08Å; Q159-E163 PolarHBondContact NE2-OE1 2.92Å; Q159-E163 PolarHBondContact O-N 3.42Å |
| 160 | N | 88.9 | Confident | 85.8 | Confident | 74 Ų | 74 | 110.7 Ų | 110.7 | 40% | 0.396 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.2 | -34.3 | 175.2 | -72.7 | -8.3 | 0 | 0 | 0 | 112.1 | K156 Q157 K164 | K156-N160 WeakPolarHBondContact O-CB 3.35Å; K156-N160 PolarHBondContact O-N 2.96Å; K156-N160 PolarHBondContact O-ND2 3.48Å; K156-N160 PolarHBondContact O-OD1 3.14Å; Q157-N160 PolarHBondContact O-N 3.09Å; N160-K164 WeakPolarHBondContact O-CB 3.44Å; N160-K164 VanDerWaalsContact O-CG 3.28Å; N160-K164 WeakPolarHBondContact O-CG 3.43Å; N160-K164 PolarHBondContact O-N 2.95Å |
| 161 | L | 89.1 | Confident | 84.8 | Confident | 94 Ų | 94 | 110.7 Ų | 110.7 | 49% | 0.492 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -72.8 | -36.6 | 178.2 | -146.6 | 149.7 | 0 | 0 | 0 | 111.5 | Q157 K158 Q159 R165 | Q157-L161 WeakPolarHBondContact O-CB 3.37Å; Q157-L161 PolarHBondContact O-N 2.87Å; K158-L161 PolarHBondContact O-N 3.49Å; Q159-L161 PolarHBondContact O-N 3.36Å; L161-R165 WeakPolarHBondContact O-CG 3.3Å; L161-R165 PolarHBondContact O-N 2.89Å; L161-R165 VanDerWaalsContact O-N 3.14Å |
| 162 | L | 85.5 | Confident | 83.7 | Confident | 100 Ų | 100 | 113.9 Ų | 113.9 | 52% | 0.524 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.5 | -43.6 | 171.9 | -71.2 | 171.7 | 0 | 0 | 0 | 112.1 | K158 Q159 R165 Q166 | K158-L162 WeakPolarHBondContact O-CG 3.23Å; K158-L162 PolarHBondContact O-N 3.11Å; Q159-L162 CarbonylContact O-C 3.6Å; Q159-L162 PolarHBondContact O-N 3.09Å; Q159-L162 VanDerWaalsContact O-N 3.08Å; L162-R165 WeakPolarHBondContact O-CB 3.38Å; L162-R165 PolarHBondContact O-N 3.34Å; L162-Q166 WeakPolarHBondContact O-CB 3.47Å; L162-Q166 WeakPolarHBondContact O-CG 3.33Å; L162-Q166 PolarHBondContact O-N 2.85Å |
| 163 | E | 85.5 | Confident | 82.4 | Confident | 81 Ų | 81 | 114.3 Ų | 114.3 | 38% | 0.379 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 175.1 | -83.3 | 177.2 | -168.8 | 0 | 0 | 111.2 | Q159 R165 Q166 N167 | Q159-E163 PolarHBondContact NE2-OE1 2.92Å; Q159-E163 PolarHBondContact O-N 3.42Å; E163-R165 VanDerWaalsContact C-N 3.34Å; E163-R165 PolarHBondContact O-N 3.44Å; E163-Q166 PolarHBondContact O-N 2.88Å; E163-N167 WeakPolarHBondContact O-CB 3.49Å; E163-N167 VanDerWaalsContact O-CG 3.26Å; E163-N167 PolarHBondContact O-N 2.9Å |
| 164 | K | 83.8 | Confident | 80.7 | Confident | 147 Ų | 147 | 113.5 Ų | 113.5 | 64% | 0.639 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -56.9 | -47 | 171.6 | -81.6 | 179.3 | 177.5 | -172.6 | 0 | 111.7 | N160 Q166 N167 D168 | N160-K164 WeakPolarHBondContact O-CB 3.44Å; N160-K164 VanDerWaalsContact O-CG 3.28Å; N160-K164 WeakPolarHBondContact O-CG 3.43Å; N160-K164 PolarHBondContact O-N 2.95Å; K164-Q166 PolarHBondContact O-N 2.64Å; K164-N167 PolarHBondContact O-N 2.82Å; K164-D168 WeakPolarHBondContact O-CB 3.43Å; K164-D168 PolarHBondContact O-N 3.44Å |
| 165 | R | 82.7 | Confident | 79 | Confident | 144 Ų | 144 | 116 Ų | 116 | 54% | 0.543 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 175.7 | -73.5 | 174.9 | -178.8 | 177.7 | 1.4 | 111.9 | L161 L162 E163 D168 Y169 | L161-R165 WeakPolarHBondContact O-CG 3.3Å; L161-R165 PolarHBondContact O-N 2.89Å; L161-R165 VanDerWaalsContact O-N 3.14Å; L162-R165 WeakPolarHBondContact O-CB 3.38Å; L162-R165 PolarHBondContact O-N 3.34Å; E163-R165 VanDerWaalsContact C-N 3.34Å; E163-R165 PolarHBondContact O-N 3.44Å; R165-D168 PolarHBondContact O-N 3.32Å; R165-Y169 WeakPolarHBondContact O-CD2 3.31Å; R165-Y169 PolarHBondContact O-N 3.44Å |
| 166 | Q | 78.9 | Confident | 77.1 | Confident | 129 Ų | 129 | 114.6 Ų | 114.6 | 60% | 0.603 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.6 | -43 | 178.4 | -77.5 | -177.7 | -5.6 | 0 | 0 | 111.4 | L162 E163 K164 Y169 L170 | L162-Q166 WeakPolarHBondContact O-CB 3.47Å; L162-Q166 WeakPolarHBondContact O-CG 3.33Å; L162-Q166 PolarHBondContact O-N 2.85Å; E163-Q166 PolarHBondContact O-N 2.88Å; K164-Q166 PolarHBondContact O-N 2.64Å; Q166-Y169 CarbonylContact O-C 3.5Å; Q166-Y169 WeakPolarHBondContact O-CA 3.31Å; Q166-Y169 WeakPolarHBondContact O-CB 3.41Å; Q166-Y169 PolarHBondContact O-N 3.38Å; Q166-Y169 VanDerWaalsContact O-N 3.17Å; Q166-L170 WeakPolarHBondContact O-CB 3.44Å; Q166-L170 PolarHBondContact O-N 3.41Å |
| 167 | N | 79.5 | Confident | 74.5 | Confident | 86 Ų | 86 | 114.8 Ų | 114.8 | 46% | 0.46 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.7 | -38.4 | 175.1 | -69.8 | -12.1 | 0 | 0 | 0 | 111.1 | E163 K164 Y169 L170 D171 | E163-N167 WeakPolarHBondContact O-CB 3.49Å; E163-N167 VanDerWaalsContact O-CG 3.26Å; E163-N167 PolarHBondContact O-N 2.9Å; K164-N167 PolarHBondContact O-N 2.82Å; N167-Y169 VanDerWaalsContact C-N 3.27Å; N167-Y169 PolarHBondContact O-N 3.03Å; N167-L170 PolarHBondContact O-N 3.43Å; N167-L170 VanDerWaalsContact O-N 3.16Å; N167-D171 VanDerWaalsContact O-CB 3.32Å; N167-D171 WeakPolarHBondContact O-CB 3.39Å; N167-D171 PolarHBondContact O-N 2.86Å |
| 168 | D | 78.4 | Confident | 72 | Confident | 94 Ų | 94 | 113.2 Ų | 113.2 | 50% | 0.503 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.4 | -36.3 | 171.2 | -66.5 | -25.2 | 0 | 0 | 0 | 111.5 | K164 R165 K172 | K164-D168 WeakPolarHBondContact O-CB 3.43Å; K164-D168 PolarHBondContact O-N 3.44Å; R165-D168 PolarHBondContact O-N 3.32Å; D168-K172 WeakPolarHBondContact O-CB 3.34Å; D168-K172 WeakPolarHBondContact O-CD 3.4Å; D168-K172 WeakPolarHBondContact O-CG 3.25Å; D168-K172 PolarHBondContact O-N 3.32Å |
| 169 | Y | 74 | Confident | 69.2 | Low | 159 Ų | 159 | 115.6 Ų | 115.6 | 62% | 0.624 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -71.3 | -40.2 | 172.7 | -82.4 | -69 | 0 | 0 | 0 | 112 | R165 Q166 N167 K172 F173 | R165-Y169 WeakPolarHBondContact O-CD2 3.31Å; R165-Y169 PolarHBondContact O-N 3.44Å; Q166-Y169 CarbonylContact O-C 3.5Å; Q166-Y169 WeakPolarHBondContact O-CA 3.31Å; Q166-Y169 WeakPolarHBondContact O-CB 3.41Å; Q166-Y169 PolarHBondContact O-N 3.38Å; Q166-Y169 VanDerWaalsContact O-N 3.17Å; N167-Y169 VanDerWaalsContact C-N 3.27Å; N167-Y169 PolarHBondContact O-N 3.03Å; Y169-K172 WeakPolarHBondContact O-CB 3.46Å; Y169-K172 PolarHBondContact O-N 3.14Å; Y169-F173 WeakPolarHBondContact O-CB 3.4Å; Y169-F173 PolarHBondContact O-N 3.08Å |
| 170 | L | 71.9 | Confident | 66.5 | Low | 103 Ų | 103 | 117.6 Ų | 117.6 | 54% | 0.539 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -71.5 | -42.7 | -178 | -153.3 | 85.4 | 0 | 0 | 0 | 110.7 | Q166 N167 K172 F173 V174 | Q166-L170 WeakPolarHBondContact O-CB 3.44Å; Q166-L170 PolarHBondContact O-N 3.41Å; N167-L170 PolarHBondContact O-N 3.43Å; N167-L170 VanDerWaalsContact O-N 3.16Å; L170-K172 VanDerWaalsContact C-N 3.29Å; L170-K172 PolarHBondContact O-N 3.3Å; L170-F173 CarbonylContact O-C 3.59Å; L170-F173 WeakPolarHBondContact O-CA 3.43Å; L170-F173 PolarHBondContact O-N 2.93Å; L170-V174 HydrophobicContact CG-CG2 4.23Å; L170-V174 WeakPolarHBondContact O-CB 3.2Å; L170-V174 VanDerWaalsContact O-CG2 3.25Å; L170-V174 WeakPolarHBondContact O-CG2 3.35Å; L170-V174 PolarHBondContact O-N 2.98Å |
| 171 | D | 70.7 | Confident | 63.7 | Low | 102 Ų | 102 | 121.9 Ų | 121.9 | 55% | 0.545 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -60.7 | -40.5 | 173.3 | -80.2 | -11.6 | 0 | 0 | 0 | 110.5 | N167 F173 L175 | N167-D171 VanDerWaalsContact O-CB 3.32Å; N167-D171 WeakPolarHBondContact O-CB 3.39Å; N167-D171 PolarHBondContact O-N 2.86Å; D171-F173 VanDerWaalsContact C-N 3.35Å; D171-F173 PolarHBondContact O-N 3.09Å; D171-L175 VanDerWaalsContact O-CB 3.31Å; D171-L175 WeakPolarHBondContact O-CB 3.42Å; D171-L175 WeakPolarHBondContact O-CD1 3.43Å; D171-L175 VanDerWaalsContact O-CG 3.31Å; D171-L175 WeakPolarHBondContact O-CG 3.22Å; D171-L175 PolarHBondContact O-N 2.94Å |
| 172 | K | 68.5 | Low | 61 | Low | 137 Ų | 137 | 121.2 Ų | 121.2 | 60% | 0.596 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61 | -42.2 | 169.9 | -75 | 171.3 | -172.9 | 177 | 0 | 112 | D168 Y169 L170 T176 | D168-K172 WeakPolarHBondContact O-CB 3.34Å; D168-K172 WeakPolarHBondContact O-CD 3.4Å; D168-K172 WeakPolarHBondContact O-CG 3.25Å; D168-K172 PolarHBondContact O-N 3.32Å; Y169-K172 WeakPolarHBondContact O-CB 3.46Å; Y169-K172 PolarHBondContact O-N 3.14Å; L170-K172 VanDerWaalsContact C-N 3.29Å; L170-K172 PolarHBondContact O-N 3.3Å; K172-T176 WeakPolarHBondContact O-CG2 3.42Å; K172-T176 PolarHBondContact O-N 2.99Å; K172-T176 PolarHBondContact O-OG1 2.95Å |
| 173 | F | 60.2 | Low | 59.1 | Low | 130 Ų | 130 | 122.9 Ų | 122.9 | 57% | 0.57 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -72.5 | -40.2 | -178.4 | -117.2 | -84 | 0 | 0 | 0 | 113.3 | Y169 L170 D171 T176 H177 | Y169-F173 WeakPolarHBondContact O-CB 3.4Å; Y169-F173 PolarHBondContact O-N 3.08Å; L170-F173 CarbonylContact O-C 3.59Å; L170-F173 WeakPolarHBondContact O-CA 3.43Å; L170-F173 PolarHBondContact O-N 2.93Å; D171-F173 VanDerWaalsContact C-N 3.35Å; D171-F173 PolarHBondContact O-N 3.09Å; F173-T176 VanDerWaalsContact C-OG1 3.31Å; F173-T176 VanDerWaalsContact CA-OG1 3.29Å; F173-T176 WeakPolarHBondContact CA-OG1 3.49Å; F173-T176 CarbonylContact O-C 3.51Å; F173-T176 WeakPolarHBondContact O-CA 3.41Å; F173-T176 PolarHBondContact O-N 3.43Å; F173-T176 PolarHBondContact O-OG1 2.83Å; F173-H177 PolarHBondContact O-N 2.91Å |
| 174 | V | 56.9 | Low | 57.3 | Low | 74 Ų | 74 | 126.5 Ų | 126.5 | 45% | 0.448 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -71 | -35.1 | 179.4 | 170.8 | 0 | 0 | 0 | 0 | 110.4 | L170 T176 S178 | L170-V174 HydrophobicContact CG-CG2 4.23Å; L170-V174 WeakPolarHBondContact O-CB 3.2Å; L170-V174 VanDerWaalsContact O-CG2 3.25Å; L170-V174 WeakPolarHBondContact O-CG2 3.35Å; L170-V174 PolarHBondContact O-N 2.98Å; V174-T176 PolarHBondContact O-N 3.29Å; V174-S178 PolarHBondContact O-OG 3.05Å |
| 175 | L | 53.8 | Low | 55.7 | Low | 155 Ų | 155 | 123.3 Ų | 123.3 | 81% | 0.812 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -62.7 | -29.3 | 166.8 | -79.6 | 165.3 | 0 | 0 | 0 | 112.4 | D171 | D171-L175 VanDerWaalsContact O-CB 3.31Å; D171-L175 WeakPolarHBondContact O-CB 3.42Å; D171-L175 WeakPolarHBondContact O-CD1 3.43Å; D171-L175 VanDerWaalsContact O-CG 3.31Å; D171-L175 WeakPolarHBondContact O-CG 3.22Å; D171-L175 PolarHBondContact O-N 2.94Å |
| 176 | T | 49.2 | Very low | 54.4 | Low | 95 Ų | 95 | 121.6 Ų | 121.6 | 58% | 0.583 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -88.4 | -29.7 | 177.6 | 50.7 | 0 | 0 | 0 | 0 | 114.5 | K172 F173 V174 | K172-T176 WeakPolarHBondContact O-CG2 3.42Å; K172-T176 PolarHBondContact O-N 2.99Å; K172-T176 PolarHBondContact O-OG1 2.95Å; F173-T176 VanDerWaalsContact C-OG1 3.31Å; F173-T176 VanDerWaalsContact CA-OG1 3.29Å; F173-T176 WeakPolarHBondContact CA-OG1 3.49Å; F173-T176 CarbonylContact O-C 3.51Å; F173-T176 WeakPolarHBondContact O-CA 3.41Å; F173-T176 PolarHBondContact O-N 3.43Å; F173-T176 PolarHBondContact O-OG1 2.83Å; V174-T176 PolarHBondContact O-N 3.29Å |
| 177 | H | 38.9 | Very low | 53.4 | Low | 142 Ų | 142 | 118 Ų | 118 | 66% | 0.657 | 62% | 0.623 | S | S | * | * | trans | -134.6 | 67.1 | -169.1 | -74.7 | 12.9 | 0 | 0 | 0 | 111 | F173 | F173-H177 PolarHBondContact O-N 2.91Š| ||
| 178 | S | 37.7 | Very low | 52.6 | Low | 90 Ų | 90 | 121.3 Ų | 121.3 | 63% | 0.629 | 64% | 0.635 | S | S | * | * | trans | -110.4 | 65.2 | 164.3 | -67 | 0 | 0 | 0 | 0 | 109.6 | V174 | V174-S178 PolarHBondContact O-OG 3.05Š| ||
| 179 | K | 29.5 | Very low | 51.9 | Low | 186 Ų | 186 | 123.7 Ų | 123.7 | 81% | 0.809 | 65% | 0.645 | S | S | * | * | trans | -168.8 | 96.9 | 162.6 | -99.5 | 169 | -168.9 | -176.9 | 0 | 105.5 | ||||
| 180 | D | 31.7 | Very low | 51.8 | Low | 148 Ų | 148 | 120.6 Ų | 120.6 | 79% | 0.791 | 64% | 0.638 | S | S | * | * | 163.9 | 125.8 | 126.7 | -82 | -12.3 | 0 | 0 | 0 | 114 | |||||
| 181 | M | 31.5 | Very low | 52 | Low | 164 Ų | 164 | 119.5 Ų | 119.5 | 81% | 0.808 | 64% | 0.636 | S | S | * | * | trans | 87.6 | 108.3 | 141.6 | -62.5 | -64.1 | -65.1 | 0 | 0 | 120.8 | ||||
| 182 | S | 32.7 | Very low | 52.1 | Low | 80 Ų | 80 | 120.2 Ų | 120.2 | 56% | 0.559 | 64% | 0.636 | S | S | * | * | trans | -65.3 | 150.9 | 160.3 | 177.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 183 | N | 44 | Very low | 52.5 | Low | 135 Ų | 135 | 115.1 Ų | 115.1 | 72% | 0.722 | 62% | 0.622 | S | S | * | * | trans | -155.9 | 123.6 | 146.3 | -87.8 | -31.9 | 0 | 0 | 0 | 110.8 | A185 | N183-A185 VanDerWaalsContact C-N 3.32Å; N183-A185 PolarHBondContact O-N 3.21Å | ||
| 184 | E | 48.8 | Very low | 53.4 | Low | 156 Ų | 156 | 115.6 Ų | 115.6 | 73% | 0.729 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -10.1 | -166.8 | -134.1 | 93 | -167.1 | 0 | 0 | 116 | ||
| 185 | A | 51 | Low | 54.5 | Low | 81 Ų | 81 | 118.9 Ų | 118.9 | 67% | 0.669 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -73.4 | -31.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N183 A187 | N183-A185 VanDerWaalsContact C-N 3.32Å; N183-A185 PolarHBondContact O-N 3.21Å; A185-A187 VanDerWaalsContact C-N 3.28Å; A185-A187 PolarHBondContact O-N 3.44Å |
| 186 | D | 55.5 | Low | 55.7 | Low | 108 Ų | 108 | 120.2 Ų | 120.2 | 58% | 0.578 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -71 | -25.5 | 179.4 | -70 | -32.2 | 0 | 0 | 0 | 112.2 | Q188 I190 | D186-Q188 PolarHBondContact O-N 2.64Å; D186-I190 VanDerWaalsContact O-CD1 3.31Å; D186-I190 WeakPolarHBondContact O-CD1 3.41Å; D186-I190 WeakPolarHBondContact O-CG1 3.49Å; D186-I190 PolarHBondContact O-N 2.96Å |
| 187 | A | 57.7 | Low | 57.2 | Low | 54 Ų | 54 | 120.7 Ų | 120.7 | 45% | 0.446 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.1 | -37.2 | -178 | 0 | 0 | 0 | 0 | 0 | 112.6 | A185 V191 | A185-A187 VanDerWaalsContact C-N 3.28Å; A185-A187 PolarHBondContact O-N 3.44Å; A187-V191 WeakPolarHBondContact O-CG2 3.4Å; A187-V191 PolarHBondContact O-N 2.86Å |
| 188 | Q | 61.3 | Low | 59.4 | Low | 155 Ų | 155 | 116.1 Ų | 116.1 | 72% | 0.724 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -74.1 | -41.9 | -178.5 | -71.3 | -173.3 | 0.3 | 0 | 0 | 112.7 | D186 I190 V191 E192 | D186-Q188 PolarHBondContact O-N 2.64Å; Q188-I190 VanDerWaalsContact C-N 3.26Å; Q188-I190 PolarHBondContact O-N 2.89Å; Q188-V191 PolarHBondContact O-N 2.98Å; Q188-V191 VanDerWaalsContact O-N 3.13Å; Q188-E192 PolarHBondContact O-N 3.39Å; Q188-E192 VanDerWaalsContact O-N 3.13Å |
| 189 | M | 65.2 | Low | 61.7 | Low | 144 Ų | 144 | 116.6 Ų | 116.6 | 71% | 0.709 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -60.2 | -37.8 | 173.6 | -86.4 | -129.3 | -58.1 | 0 | 0 | 112.1 | V191 E192 G193 | M189-V191 VanDerWaalsContact C-N 3.33Å; M189-V191 PolarHBondContact O-N 3.17Å; M189-E192 PolarHBondContact O-N 3.45Å; M189-G193 PolarHBondContact O-N 2.93Å |
| 190 | I | 71 | Confident | 64.3 | Low | 93 Ų | 93 | 113.4 Ų | 113.4 | 48% | 0.477 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.3 | -38.6 | 176.7 | -68.8 | 166.7 | 0 | 0 | 0 | 111 | D186 Q188 K194 | D186-I190 VanDerWaalsContact O-CD1 3.31Å; D186-I190 WeakPolarHBondContact O-CD1 3.41Å; D186-I190 WeakPolarHBondContact O-CG1 3.49Å; D186-I190 PolarHBondContact O-N 2.96Å; Q188-I190 VanDerWaalsContact C-N 3.26Å; Q188-I190 PolarHBondContact O-N 2.89Å; I190-K194 HydrophobicContact CG2-CD 4.07Å; I190-K194 WeakPolarHBondContact O-CB 3.38Å; I190-K194 WeakPolarHBondContact O-CG 3.39Å; I190-K194 PolarHBondContact O-N 3.29Å |
| 191 | V | 75.7 | Confident | 66.8 | Low | 80 Ų | 80 | 111 Ų | 111 | 49% | 0.485 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69 | -42.3 | 179.4 | 172.8 | 0 | 0 | 0 | 0 | 111.9 | A187 Q188 M189 K194 K195 | A187-V191 WeakPolarHBondContact O-CG2 3.4Å; A187-V191 PolarHBondContact O-N 2.86Å; Q188-V191 PolarHBondContact O-N 2.98Å; Q188-V191 VanDerWaalsContact O-N 3.13Å; M189-V191 VanDerWaalsContact C-N 3.33Å; M189-V191 PolarHBondContact O-N 3.17Å; V191-K194 PolarHBondContact O-N 3.26Å; V191-K195 PolarHBondContact O-N 3.46Å; V191-K195 VanDerWaalsContact O-N 3.1Å |
| 192 | E | 74 | Confident | 69.4 | Low | 118 Ų | 118 | 110.2 Ų | 110.2 | 55% | 0.551 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.3 | -41.9 | 177.1 | -70.1 | -167 | 171.6 | 0 | 0 | 112.6 | Q188 M189 K194 K195 R196 | Q188-E192 PolarHBondContact O-N 3.39Å; Q188-E192 VanDerWaalsContact O-N 3.13Å; M189-E192 PolarHBondContact O-N 3.45Å; E192-K194 VanDerWaalsContact C-N 3.3Å; E192-K194 PolarHBondContact O-N 2.96Å; E192-K195 PolarHBondContact O-N 2.89Å; E192-R196 PolarHBondContact O-N 2.93Å; E192-R196 VanDerWaalsContact O-N 3.09Å |
| 193 | G | 75.6 | Confident | 72 | Confident | 29 Ų | 29 | 111 Ų | 111 | 30% | 0.299 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -57.4 | -43.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | M189 K195 R196 I197 | M189-G193 PolarHBondContact O-N 2.93Å; G193-K195 PolarHBondContact O-N 3.44Å; G193-R196 PolarHBondContact O-N 2.87Å; G193-I197 VanDerWaalsContact O-CG1 3.28Å; G193-I197 WeakPolarHBondContact O-CG1 3.35Å; G193-I197 PolarHBondContact O-N 3.01Å |
| 194 | K | 79.6 | Confident | 73.9 | Confident | 140 Ų | 140 | 108.2 Ų | 108.2 | 61% | 0.609 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.8 | -40.2 | 176 | -76.7 | 173.2 | 179.8 | 178.6 | 0 | 112.8 | I190 V191 E192 I197 A198 | I190-K194 HydrophobicContact CG2-CD 4.07Å; I190-K194 WeakPolarHBondContact O-CB 3.38Å; I190-K194 WeakPolarHBondContact O-CG 3.39Å; I190-K194 PolarHBondContact O-N 3.29Å; V191-K194 PolarHBondContact O-N 3.26Å; E192-K194 VanDerWaalsContact C-N 3.3Å; E192-K194 PolarHBondContact O-N 2.96Å; K194-I197 PolarHBondContact O-N 3.34Å; K194-A198 VanDerWaalsContact O-CB 3.32Å; K194-A198 WeakPolarHBondContact O-CB 3.28Å; K194-A198 PolarHBondContact O-N 3.33Å |
| 195 | K | 80.6 | Confident | 75.8 | Confident | 143 Ų | 143 | 105.4 Ų | 105.4 | 62% | 0.622 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.5 | -42.1 | 176.2 | -77 | -176.9 | 179.2 | 177 | 0 | 112.3 | V191 E192 G193 A198 N199 | V191-K195 PolarHBondContact O-N 3.46Å; V191-K195 VanDerWaalsContact O-N 3.1Å; E192-K195 PolarHBondContact O-N 2.89Å; G193-K195 PolarHBondContact O-N 3.44Å; K195-A198 PolarHBondContact O-N 3.29Å; K195-N199 PolarHBondContact O-N 3.49Å |
| 196 | R | 79.2 | Confident | 77.6 | Confident | 183 Ų | 183 | 106.9 Ų | 106.9 | 69% | 0.691 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.4 | -44.3 | 177.3 | -67.3 | -177.6 | -169.8 | 175.9 | 6.9 | 111.8 | E192 G193 A198 N199 F200 | E192-R196 PolarHBondContact O-N 2.93Å; E192-R196 VanDerWaalsContact O-N 3.09Å; G193-R196 PolarHBondContact O-N 2.87Å; R196-A198 VanDerWaalsContact C-N 3.35Å; R196-A198 PolarHBondContact O-N 2.89Å; R196-N199 PolarHBondContact O-N 3.1Å; R196-F200 PolarHBondContact O-N 3.45Å |
| 197 | I | 80.3 | Confident | 79.1 | Confident | 105 Ų | 105 | 108.5 Ų | 108.5 | 54% | 0.538 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 176.4 | -65.8 | 166.1 | 0 | 0 | 0 | 110.5 | G193 K194 N199 F200 L201 | G193-I197 VanDerWaalsContact O-CG1 3.28Å; G193-I197 WeakPolarHBondContact O-CG1 3.35Å; G193-I197 PolarHBondContact O-N 3.01Å; K194-I197 PolarHBondContact O-N 3.34Å; I197-N199 PolarHBondContact O-N 3.35Å; I197-F200 PolarHBondContact O-N 3.24Å; I197-L201 HydrophobicContact CG2-CD1 3.94Å; I197-L201 HydrophobicContact CG2-CG 4.39Å; I197-L201 WeakPolarHBondContact O-CB 3.42Å; I197-L201 VanDerWaalsContact O-CG 3.3Å; I197-L201 WeakPolarHBondContact O-CG 3.25Å; I197-L201 PolarHBondContact O-N 2.99Å |
| 198 | A | 84.8 | Confident | 80.5 | Confident | 46 Ų | 46 | 111.5 Ų | 111.5 | 38% | 0.38 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | K194 K195 R196 L201 K202 | K194-A198 VanDerWaalsContact O-CB 3.32Å; K194-A198 WeakPolarHBondContact O-CB 3.28Å; K194-A198 PolarHBondContact O-N 3.33Å; K195-A198 PolarHBondContact O-N 3.29Å; R196-A198 VanDerWaalsContact C-N 3.35Å; R196-A198 PolarHBondContact O-N 2.89Å; A198-L201 PolarHBondContact O-N 3.1Å; A198-K202 WeakPolarHBondContact O-CG 3.26Å; A198-K202 PolarHBondContact O-N 3.48Å |
| 199 | N | 85.6 | Confident | 81.8 | Confident | 100 Ų | 100 | 109.6 Ų | 109.6 | 54% | 0.535 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.3 | -43.1 | 176.5 | -73.3 | -6.9 | 0 | 0 | 0 | 112.1 | K195 R196 I197 L201 K202 E203 | K195-N199 PolarHBondContact O-N 3.49Å; R196-N199 PolarHBondContact O-N 3.1Å; I197-N199 PolarHBondContact O-N 3.35Å; N199-L201 VanDerWaalsContact C-N 3.31Å; N199-L201 PolarHBondContact O-N 2.92Å; N199-K202 PolarHBondContact O-N 2.98Å; N199-E203 PolarHBondContact O-N 3.41Å |
| 200 | F | 84.7 | Confident | 82.8 | Confident | 120 Ų | 120 | 108 Ų | 108 | 53% | 0.526 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61 | -40 | 175.8 | -177.5 | -99.2 | 0 | 0 | 0 | 112.3 | R196 I197 E203 Q204 | R196-F200 PolarHBondContact O-N 3.45Å; I197-F200 PolarHBondContact O-N 3.24Å; F200-E203 PolarHBondContact O-N 2.85Å; F200-Q204 HydrophobicContact CD1-CG 4.24Å; F200-Q204 HydrophobicContact CE1-CG 3.91Å; F200-Q204 HydrophobicContact CZ-CG 4.19Å; F200-Q204 WeakPolarHBondContact O-CB 3.28Å; F200-Q204 WeakPolarHBondContact O-CG 3.31Å; F200-Q204 PolarHBondContact O-N 3.01Å |
| 201 | L | 84.7 | Confident | 83.6 | Confident | 97 Ų | 97 | 109.9 Ų | 109.9 | 51% | 0.508 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.4 | -37.5 | 175.6 | -71.1 | 173.2 | 0 | 0 | 0 | 112.2 | I197 A198 N199 Q204 I205 | I197-L201 HydrophobicContact CG2-CD1 3.94Å; I197-L201 HydrophobicContact CG2-CG 4.39Å; I197-L201 WeakPolarHBondContact O-CB 3.42Å; I197-L201 VanDerWaalsContact O-CG 3.3Å; I197-L201 WeakPolarHBondContact O-CG 3.25Å; I197-L201 PolarHBondContact O-N 2.99Å; A198-L201 PolarHBondContact O-N 3.1Å; N199-L201 VanDerWaalsContact C-N 3.31Å; N199-L201 PolarHBondContact O-N 2.92Å; L201-Q204 PolarHBondContact O-N 2.87Å; L201-I205 WeakPolarHBondContact O-CD1 3.48Å; L201-I205 VanDerWaalsContact O-CG1 3.25Å; L201-I205 WeakPolarHBondContact O-CG1 3.25Å; L201-I205 PolarHBondContact O-N 3.43Å |
| 202 | K | 86.4 | Confident | 84.3 | Confident | 147 Ų | 147 | 112.1 Ų | 112.1 | 64% | 0.639 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.1 | -46.6 | 174.1 | -79.1 | -177 | 176.7 | -175.9 | 0 | 112.1 | A198 N199 Q204 I205 E206 | A198-K202 WeakPolarHBondContact O-CG 3.26Å; A198-K202 PolarHBondContact O-N 3.48Å; N199-K202 PolarHBondContact O-N 2.98Å; K202-Q204 VanDerWaalsContact C-N 3.34Å; K202-Q204 PolarHBondContact O-N 2.85Å; K202-I205 PolarHBondContact O-N 3.25Å; K202-E206 PolarHBondContact O-N 3.33Å |
| 203 | E | 86.4 | Confident | 85 | Confident | 97 Ų | 97 | 111.7 Ų | 111.7 | 45% | 0.453 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.1 | -40 | 176.4 | -75.5 | -175 | -160.7 | 0 | 0 | 112.5 | N199 F200 I205 E206 R207 | N199-E203 PolarHBondContact O-N 3.41Å; F200-E203 PolarHBondContact O-N 2.85Å; E203-I205 VanDerWaalsContact C-N 3.33Å; E203-I205 PolarHBondContact O-N 2.91Å; E203-E206 PolarHBondContact O-N 2.85Å; E203-R207 WeakPolarHBondContact O-CG 3.36Å; E203-R207 PolarHBondContact O-N 3.34Å; E203-R207 IonicContact OE2-NH2 3.88Å; E203-R207 PolarHBondContact OE2-NH2 2.95Å |
| 204 | Q | 85.1 | Confident | 85.6 | Confident | 77 Ų | 77 | 114.2 Ų | 114.2 | 36% | 0.36 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 175.5 | -81.9 | -96.3 | 2.4 | 0 | 0 | 112.2 | F200 L201 K202 K208 | F200-Q204 HydrophobicContact CD1-CG 4.24Å; F200-Q204 HydrophobicContact CE1-CG 3.91Å; F200-Q204 HydrophobicContact CZ-CG 4.19Å; F200-Q204 WeakPolarHBondContact O-CB 3.28Å; F200-Q204 WeakPolarHBondContact O-CG 3.31Å; F200-Q204 PolarHBondContact O-N 3.01Å; L201-Q204 PolarHBondContact O-N 2.87Å; K202-Q204 VanDerWaalsContact C-N 3.34Å; K202-Q204 PolarHBondContact O-N 2.85Å; Q204-K208 WeakPolarHBondContact O-CB 3.28Å; Q204-K208 WeakPolarHBondContact O-CG 3.35Å; Q204-K208 PolarHBondContact O-N 3.49Å; Q204-K208 VanDerWaalsContact O-N 3.14Å |
| 205 | I | 87.1 | Confident | 86.1 | Confident | 97 Ų | 97 | 112 Ų | 112 | 50% | 0.497 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66 | -47.6 | 176.5 | -69.7 | 164.6 | 0 | 0 | 0 | 109.9 | L201 K202 E203 R207 K208 E209 | L201-I205 WeakPolarHBondContact O-CD1 3.48Å; L201-I205 VanDerWaalsContact O-CG1 3.25Å; L201-I205 WeakPolarHBondContact O-CG1 3.25Å; L201-I205 PolarHBondContact O-N 3.43Å; K202-I205 PolarHBondContact O-N 3.25Å; E203-I205 VanDerWaalsContact C-N 3.33Å; E203-I205 PolarHBondContact O-N 2.91Å; I205-R207 PolarHBondContact O-N 3.29Å; I205-K208 PolarHBondContact O-N 2.98Å; I205-E209 HydrophobicContact CG2-CG 4.46Å; I205-E209 WeakPolarHBondContact O-CG 3.43Å; I205-E209 PolarHBondContact O-N 2.9Å |
| 206 | E | 89.8 | Confident | 86.6 | Confident | 112 Ų | 112 | 112 Ų | 112 | 52% | 0.523 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | -179.4 | -169.2 | 175 | -175.2 | 0 | 0 | 112.3 | K202 E203 K208 E209 Q210 | K202-E206 PolarHBondContact O-N 3.33Å; E203-E206 PolarHBondContact O-N 2.85Å; E206-K208 PolarHBondContact O-N 3.43Å; E206-E209 PolarHBondContact O-N 2.95Å; E206-Q210 WeakPolarHBondContact O-CG 3.34Å; E206-Q210 PolarHBondContact O-N 3.49Å |
| 207 | R | 86.3 | Confident | 87.1 | Confident | 141 Ų | 141 | 106.9 Ų | 106.9 | 53% | 0.532 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 174.3 | -70.9 | -178.1 | -146.4 | -178.1 | 6.8 | 112.1 | E203 I205 E209 Q210 E211 | E203-R207 WeakPolarHBondContact O-CG 3.36Å; E203-R207 PolarHBondContact O-N 3.34Å; E203-R207 IonicContact OE2-NH2 3.88Å; E203-R207 PolarHBondContact OE2-NH2 2.95Å; I205-R207 PolarHBondContact O-N 3.29Å; R207-E209 VanDerWaalsContact C-N 3.31Å; R207-E209 PolarHBondContact O-N 2.92Å; R207-Q210 PolarHBondContact O-N 3.23Å; R207-E211 WeakPolarHBondContact O-CG 3.46Å; R207-E211 PolarHBondContact O-N 3.3Å |
| 208 | K | 88 | Confident | 87.5 | Confident | 118 Ų | 118 | 106.9 Ų | 106.9 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66 | -32.5 | 176.4 | -77.4 | -175.3 | 178.2 | -176.9 | 0 | 112.7 | Q204 I205 E206 K212 | Q204-K208 WeakPolarHBondContact O-CB 3.28Å; Q204-K208 WeakPolarHBondContact O-CG 3.35Å; Q204-K208 PolarHBondContact O-N 3.49Å; Q204-K208 VanDerWaalsContact O-N 3.14Å; I205-K208 PolarHBondContact O-N 2.98Å; E206-K208 PolarHBondContact O-N 3.43Å; K208-K212 WeakPolarHBondContact O-CB 3.32Å; K208-K212 VanDerWaalsContact O-CG 3.23Å; K208-K212 WeakPolarHBondContact O-CG 3.49Å; K208-K212 PolarHBondContact O-N 3.38Å; K208-K212 VanDerWaalsContact O-N 3.09Å |
| 209 | E | 87.3 | Confident | 87.8 | Confident | 114 Ų | 114 | 110.2 Ų | 110.2 | 53% | 0.533 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70.8 | -40.6 | 174.5 | -74.9 | -179.1 | 171.9 | 0 | 0 | 111.8 | I205 E206 R207 K212 L213 | I205-E209 HydrophobicContact CG2-CG 4.46Å; I205-E209 WeakPolarHBondContact O-CG 3.43Å; I205-E209 PolarHBondContact O-N 2.9Å; E206-E209 PolarHBondContact O-N 2.95Å; R207-E209 VanDerWaalsContact C-N 3.31Å; R207-E209 PolarHBondContact O-N 2.92Å; E209-K212 PolarHBondContact O-N 3.44Å; E209-L213 WeakPolarHBondContact O-CG 3.35Å; E209-L213 PolarHBondContact O-N 3.5Å |
| 210 | Q | 86.9 | Confident | 87.9 | Confident | 112 Ų | 112 | 111.1 Ų | 111.1 | 52% | 0.523 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.7 | -45.3 | 173.2 | -71.3 | 179.8 | 3.5 | 0 | 0 | 112 | E206 R207 K212 L213 V214 | E206-Q210 WeakPolarHBondContact O-CG 3.34Å; E206-Q210 PolarHBondContact O-N 3.49Å; R207-Q210 PolarHBondContact O-N 3.23Å; Q210-K212 VanDerWaalsContact C-N 3.34Å; Q210-K212 PolarHBondContact O-N 2.71Å; Q210-L213 PolarHBondContact O-N 3.25Å; Q210-L213 VanDerWaalsContact O-N 3.14Å; Q210-V214 WeakPolarHBondContact O-CG2 3.46Å; Q210-V214 PolarHBondContact O-N 3.23Å |
| 211 | E | 88.2 | Confident | 88.1 | Confident | 131 Ų | 131 | 112.1 Ų | 112.1 | 61% | 0.612 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -58.5 | -44.4 | 174.9 | -78.6 | 176.6 | 176.2 | 0 | 0 | 111.8 | R207 L213 V214 E215 | R207-E211 WeakPolarHBondContact O-CG 3.46Å; R207-E211 PolarHBondContact O-N 3.3Å; E211-L213 VanDerWaalsContact C-N 3.3Å; E211-L213 PolarHBondContact O-N 2.9Å; E211-V214 PolarHBondContact O-N 2.94Å; E211-E215 WeakPolarHBondContact O-CB 3.48Å; E211-E215 PolarHBondContact O-N 2.91Å |
| 212 | K | 89.2 | Confident | 88.1 | Confident | 128 Ų | 128 | 113.4 Ų | 113.4 | 56% | 0.557 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.6 | -35.2 | 175.9 | -77.3 | 174 | -177.5 | 178.8 | 0 | 112.8 | K208 E209 Q210 K216 | K208-K212 WeakPolarHBondContact O-CB 3.32Å; K208-K212 VanDerWaalsContact O-CG 3.23Å; K208-K212 WeakPolarHBondContact O-CG 3.49Å; K208-K212 PolarHBondContact O-N 3.38Å; K208-K212 VanDerWaalsContact O-N 3.09Å; E209-K212 PolarHBondContact O-N 3.44Å; Q210-K212 VanDerWaalsContact C-N 3.34Å; Q210-K212 PolarHBondContact O-N 2.71Å; K212-K216 WeakPolarHBondContact O-CB 3.35Å; K212-K216 VanDerWaalsContact O-CG 3.25Å; K212-K216 WeakPolarHBondContact O-CG 3.17Å; K212-K216 PolarHBondContact O-N 3.41Å; K212-K216 VanDerWaalsContact O-N 3.08Å |
| 213 | L | 88.7 | Confident | 88.3 | Confident | 109 Ų | 109 | 108.9 Ų | 108.9 | 57% | 0.571 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69.6 | -44.3 | 176.2 | -77.7 | 165.2 | 0 | 0 | 0 | 111.2 | E209 Q210 E211 K216 V217 | E209-L213 WeakPolarHBondContact O-CG 3.35Å; E209-L213 PolarHBondContact O-N 3.5Å; Q210-L213 PolarHBondContact O-N 3.25Å; Q210-L213 VanDerWaalsContact O-N 3.14Å; E211-L213 VanDerWaalsContact C-N 3.3Å; E211-L213 PolarHBondContact O-N 2.9Å; L213-K216 PolarHBondContact O-N 3.43Å; L213-V217 WeakPolarHBondContact O-CG2 3.45Å; L213-V217 PolarHBondContact O-N 2.95Å |
| 214 | V | 88.7 | Confident | 88.5 | Confident | 82 Ų | 82 | 108 Ų | 108 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 175.5 | 174.7 | 0 | 0 | 0 | 0 | 110.8 | Q210 E211 K216 V217 E218 | Q210-V214 WeakPolarHBondContact O-CG2 3.46Å; Q210-V214 PolarHBondContact O-N 3.23Å; E211-V214 PolarHBondContact O-N 2.94Å; V214-K216 VanDerWaalsContact C-N 3.31Å; V214-K216 PolarHBondContact O-N 3.43Å; V214-V217 PolarHBondContact O-N 3.48Å; V214-V217 VanDerWaalsContact O-N 3.1Å; V214-E218 HydrophobicContact CG1-CG 4.39Å; V214-E218 WeakPolarHBondContact O-CG 3.37Å; V214-E218 PolarHBondContact O-N 2.95Å |
| 215 | E | 89.9 | Confident | 88.6 | Confident | 93 Ų | 93 | 107 Ų | 107 | 44% | 0.435 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.1 | -38.5 | 178.7 | -165.8 | -169.2 | 168.1 | 0 | 0 | 111.9 | E211 K219 | E211-E215 WeakPolarHBondContact O-CB 3.48Å; E211-E215 PolarHBondContact O-N 2.91Å; E215-K219 HydrophobicContact CG-CD 4.3Å; E215-K219 WeakPolarHBondContact O-CB 3.33Å; E215-K219 VanDerWaalsContact O-CG 3.28Å; E215-K219 WeakPolarHBondContact O-CG 3.35Å; E215-K219 PolarHBondContact O-N 3.35Å; E215-K219 WeakPolarHBondContact OE1-CE 3.37Å; E215-K219 IonicContact OE1-NZ 3.02Å; E215-K219 PolarHBondContact OE1-NZ 3.15Å |
| 216 | K | 90.8 | Very high | 88.5 | Confident | 142 Ų | 142 | 107.4 Ų | 107.4 | 62% | 0.617 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.8 | -42.2 | 173.7 | -79.9 | 177.2 | -179.4 | -177 | 0 | 112.3 | K212 L213 V214 K219 M220 | K212-K216 WeakPolarHBondContact O-CB 3.35Å; K212-K216 VanDerWaalsContact O-CG 3.25Å; K212-K216 WeakPolarHBondContact O-CG 3.17Å; K212-K216 PolarHBondContact O-N 3.41Å; K212-K216 VanDerWaalsContact O-N 3.08Å; L213-K216 PolarHBondContact O-N 3.43Å; V214-K216 VanDerWaalsContact C-N 3.31Å; V214-K216 PolarHBondContact O-N 3.43Å; K216-K219 PolarHBondContact O-N 2.98Å; K216-M220 WeakPolarHBondContact O-CB 3.42Å; K216-M220 WeakPolarHBondContact O-CG 3.37Å; K216-M220 PolarHBondContact O-N 3.4Å |
| 217 | V | 91.5 | Very high | 88.5 | Confident | 77 Ų | 77 | 106.9 Ų | 106.9 | 47% | 0.467 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.1 | -41.2 | 177.6 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | L213 V214 M220 K221 | L213-V217 WeakPolarHBondContact O-CG2 3.45Å; L213-V217 PolarHBondContact O-N 2.95Å; V214-V217 PolarHBondContact O-N 3.48Å; V214-V217 VanDerWaalsContact O-N 3.1Å; V217-M220 PolarHBondContact O-N 3.41Å; V217-K221 HydrophobicContact CG1-CD 4.36Å; V217-K221 WeakPolarHBondContact O-CG 3.35Å; V217-K221 PolarHBondContact O-N 2.92Å |
| 218 | E | 87.8 | Confident | 88.6 | Confident | 105 Ų | 105 | 106 Ų | 106 | 49% | 0.491 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.4 | -43.5 | 176 | -72.5 | -177.9 | 168.5 | 0 | 0 | 112.1 | V214 M220 K221 Q222 | V214-E218 HydrophobicContact CG1-CG 4.39Å; V214-E218 WeakPolarHBondContact O-CG 3.37Å; V214-E218 PolarHBondContact O-N 2.95Å; E218-M220 VanDerWaalsContact C-N 3.34Å; E218-M220 PolarHBondContact O-N 2.95Å; E218-K221 PolarHBondContact O-N 3.4Å; E218-Q222 WeakPolarHBondContact O-CG 3.26Å; E218-Q222 PolarHBondContact O-N 2.97Å |
| 219 | K | 90.1 | Very high | 88.7 | Confident | 115 Ų | 115 | 105 Ų | 105 | 50% | 0.5 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 174 | -77.9 | 171.7 | 171.8 | 168.5 | 0 | 112.3 | E215 K216 Q222 A223 | E215-K219 HydrophobicContact CG-CD 4.3Å; E215-K219 WeakPolarHBondContact O-CB 3.33Å; E215-K219 VanDerWaalsContact O-CG 3.28Å; E215-K219 WeakPolarHBondContact O-CG 3.35Å; E215-K219 PolarHBondContact O-N 3.35Å; E215-K219 WeakPolarHBondContact OE1-CE 3.37Å; E215-K219 IonicContact OE1-NZ 3.02Å; E215-K219 PolarHBondContact OE1-NZ 3.15Å; K216-K219 PolarHBondContact O-N 2.98Å; K219-Q222 PolarHBondContact O-N 3.06Å; K219-A223 VanDerWaalsContact O-CB 3.32Å; K219-A223 WeakPolarHBondContact O-CB 3.49Å; K219-A223 PolarHBondContact O-N 3.32Å |
| 220 | M | 88.8 | Confident | 88.7 | Confident | 120 Ų | 120 | 104.3 Ų | 104.3 | 59% | 0.591 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.3 | -43.1 | 174 | -80 | -83.3 | -73.2 | 0 | 0 | 112.1 | K216 V217 E218 A223 N224 | K216-M220 WeakPolarHBondContact O-CB 3.42Å; K216-M220 WeakPolarHBondContact O-CG 3.37Å; K216-M220 PolarHBondContact O-N 3.4Å; V217-M220 PolarHBondContact O-N 3.41Å; E218-M220 VanDerWaalsContact C-N 3.34Å; E218-M220 PolarHBondContact O-N 2.95Å; M220-A223 PolarHBondContact O-N 2.99Å; M220-N224 WeakPolarHBondContact O-CB 3.08Å; M220-N224 PolarHBondContact O-N 3.23Å; M220-N224 PolarHBondContact O-OD1 2.91Å |
| 221 | K | 88.2 | Confident | 88.9 | Confident | 140 Ų | 140 | 104.3 Ų | 104.3 | 61% | 0.609 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.1 | -42.9 | 175.7 | -73.9 | 176.2 | -179.5 | 179.8 | 0 | 112.1 | V217 E218 N224 A225 | V217-K221 HydrophobicContact CG1-CD 4.36Å; V217-K221 WeakPolarHBondContact O-CG 3.35Å; V217-K221 PolarHBondContact O-N 2.92Å; E218-K221 PolarHBondContact O-N 3.4Å; K221-N224 PolarHBondContact O-N 3.48Å; K221-A225 WeakPolarHBondContact O-CB 3.42Å; K221-A225 PolarHBondContact O-N 2.89Å |
| 222 | Q | 85.4 | Confident | 88.9 | Confident | 125 Ų | 125 | 103.3 Ų | 103.3 | 58% | 0.584 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.8 | -42.3 | 176.2 | -71.8 | 175.9 | 6 | 0 | 0 | 111.8 | E218 K219 A225 L226 | E218-Q222 WeakPolarHBondContact O-CG 3.26Å; E218-Q222 PolarHBondContact O-N 2.97Å; K219-Q222 PolarHBondContact O-N 3.06Å; Q222-A225 PolarHBondContact O-N 3.45Å; Q222-L226 WeakPolarHBondContact O-CB 3.33Å; Q222-L226 WeakPolarHBondContact O-CG 3.37Å; Q222-L226 PolarHBondContact O-N 3.42Å |
| 223 | A | 89.6 | Confident | 88.9 | Confident | 51 Ų | 51 | 100.7 Ų | 100.7 | 42% | 0.421 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.8 | -46.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K219 M220 A225 L226 E227 | K219-A223 VanDerWaalsContact O-CB 3.32Å; K219-A223 WeakPolarHBondContact O-CB 3.49Å; K219-A223 PolarHBondContact O-N 3.32Å; M220-A223 PolarHBondContact O-N 2.99Å; A223-A225 PolarHBondContact O-N 3.48Å; A223-L226 PolarHBondContact O-N 2.96Å; A223-E227 PolarHBondContact O-N 2.91Å |
| 224 | N | 90.9 | Very high | 88.8 | Confident | 80 Ų | 80 | 100.4 Ų | 100.4 | 43% | 0.428 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 177 | -69.9 | -5.2 | 0 | 0 | 0 | 111.8 | M220 K221 L226 E227 E228 | M220-N224 WeakPolarHBondContact O-CB 3.08Å; M220-N224 PolarHBondContact O-N 3.23Å; M220-N224 PolarHBondContact O-OD1 2.91Å; K221-N224 PolarHBondContact O-N 3.48Å; N224-L226 PolarHBondContact O-N 2.75Å; N224-E227 PolarHBondContact O-N 3.24Å; N224-E228 WeakPolarHBondContact O-CG 3.45Å; N224-E228 PolarHBondContact O-N 3.36Å |
| 225 | A | 86.5 | Confident | 88.9 | Confident | 55 Ų | 55 | 102.2 Ų | 102.2 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.1 | -38.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K221 Q222 A223 L229 | K221-A225 WeakPolarHBondContact O-CB 3.42Å; K221-A225 PolarHBondContact O-N 2.89Å; Q222-A225 PolarHBondContact O-N 3.45Å; A223-A225 PolarHBondContact O-N 3.48Å; A225-L229 WeakPolarHBondContact O-CB 3.29Å; A225-L229 PolarHBondContact O-N 2.96Å |
| 226 | L | 86.9 | Confident | 88.7 | Confident | 106 Ų | 106 | 104.1 Ų | 104.1 | 56% | 0.555 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.7 | -37 | 173.8 | -73.7 | 172.3 | 0 | 0 | 0 | 112.1 | Q222 A223 N224 N230 | Q222-L226 WeakPolarHBondContact O-CB 3.33Å; Q222-L226 WeakPolarHBondContact O-CG 3.37Å; Q222-L226 PolarHBondContact O-N 3.42Å; A223-L226 PolarHBondContact O-N 2.96Å; N224-L226 PolarHBondContact O-N 2.75Å; L226-N230 WeakPolarHBondContact O-CB 3.48Å; L226-N230 PolarHBondContact O-N 2.87Å; L226-N230 PolarHBondContact O-ND2 2.91Å |
| 227 | E | 89.8 | Confident | 88.6 | Confident | 100 Ų | 100 | 103.3 Ų | 103.3 | 47% | 0.467 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.6 | -41.9 | 175.8 | -161.2 | -172.5 | 148.4 | 0 | 0 | 111.6 | A223 N224 N230 K231 | A223-E227 PolarHBondContact O-N 2.91Å; N224-E227 PolarHBondContact O-N 3.24Å; E227-N230 PolarHBondContact O-N 3.29Å; E227-K231 WeakPolarHBondContact O-CG 3.46Å; E227-K231 PolarHBondContact O-N 3.29Å; E227-K231 VanDerWaalsContact OE1-CE 3.26Å; E227-K231 WeakPolarHBondContact OE1-CE 3.32Å; E227-K231 IonicContact OE1-NZ 2.72Å; E227-K231 PolarHBondContact OE1-NZ 3.45Å |
| 228 | E | 88.3 | Confident | 88.5 | Confident | 123 Ų | 123 | 105.3 Ų | 105.3 | 58% | 0.575 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.5 | -45.4 | 173.6 | -76.4 | 177.7 | -179.7 | 0 | 0 | 112.1 | N224 N230 K231 Q232 | N224-E228 WeakPolarHBondContact O-CG 3.45Å; N224-E228 PolarHBondContact O-N 3.36Å; E228-N230 VanDerWaalsContact C-N 3.34Å; E228-N230 PolarHBondContact O-N 2.95Å; E228-K231 PolarHBondContact O-N 3.48Å; E228-Q232 WeakPolarHBondContact O-CG 3.32Å; E228-Q232 PolarHBondContact O-N 2.87Å |
| 229 | L | 88.3 | Confident | 88.5 | Confident | 98 Ų | 98 | 104.6 Ų | 104.6 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 176.5 | -172.2 | 75.8 | 0 | 0 | 0 | 111.5 | A225 Q232 L233 | A225-L229 WeakPolarHBondContact O-CB 3.29Å; A225-L229 PolarHBondContact O-N 2.96Å; L229-Q232 PolarHBondContact O-N 3.44Å; L229-L233 WeakPolarHBondContact O-CB 3.4Å; L229-L233 PolarHBondContact O-N 3.5Å |
| 230 | N | 88.5 | Confident | 88.3 | Confident | 99 Ų | 99 | 104.4 Ų | 104.4 | 53% | 0.529 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.1 | -38.7 | 177 | -80.7 | -28.6 | 0 | 0 | 0 | 112 | L226 E227 E228 L233 M234 | L226-N230 WeakPolarHBondContact O-CB 3.48Å; L226-N230 PolarHBondContact O-N 2.87Å; L226-N230 PolarHBondContact O-ND2 2.91Å; E227-N230 PolarHBondContact O-N 3.29Å; E228-N230 VanDerWaalsContact C-N 3.34Å; E228-N230 PolarHBondContact O-N 2.95Å; N230-L233 PolarHBondContact O-N 2.98Å; N230-M234 WeakPolarHBondContact O-CB 3.47Å; N230-M234 VanDerWaalsContact O-CG 3.29Å; N230-M234 WeakPolarHBondContact O-CG 3.32Å; N230-M234 PolarHBondContact O-N 2.85Å |
| 231 | K | 91.4 | Very high | 88.3 | Confident | 112 Ų | 112 | 100.8 Ų | 100.8 | 49% | 0.487 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 174.8 | -76.9 | 171.9 | -175.7 | 164.4 | 0 | 111.6 | E227 E228 M234 Q235 | E227-K231 WeakPolarHBondContact O-CG 3.46Å; E227-K231 PolarHBondContact O-N 3.29Å; E227-K231 VanDerWaalsContact OE1-CE 3.26Å; E227-K231 WeakPolarHBondContact OE1-CE 3.32Å; E227-K231 IonicContact OE1-NZ 2.72Å; E227-K231 PolarHBondContact OE1-NZ 3.45Å; E228-K231 PolarHBondContact O-N 3.48Å; K231-M234 PolarHBondContact O-N 3.46Å; K231-Q235 WeakPolarHBondContact O-CG 3.44Å; K231-Q235 PolarHBondContact O-N 2.93Å |
| 232 | Q | 88.1 | Confident | 88.4 | Confident | 110 Ų | 110 | 97.3 Ų | 97.3 | 51% | 0.514 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 176.1 | -70.9 | 174.7 | 2 | 0 | 0 | 111.7 | E228 L229 M234 Q235 E236 | E228-Q232 WeakPolarHBondContact O-CG 3.32Å; E228-Q232 PolarHBondContact O-N 2.87Å; L229-Q232 PolarHBondContact O-N 3.44Å; Q232-M234 VanDerWaalsContact C-N 3.3Å; Q232-M234 PolarHBondContact O-N 3.14Å; Q232-Q235 PolarHBondContact O-N 3.38Å; Q232-E236 PolarHBondContact O-N 2.93Å |
| 233 | L | 88.1 | Confident | 88.5 | Confident | 73 Ų | 73 | 97 Ų | 97 | 38% | 0.382 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.8 | -34.9 | -179.5 | -160.6 | 151.2 | 0 | 0 | 0 | 112.1 | L229 N230 K237 | L229-L233 WeakPolarHBondContact O-CB 3.4Å; L229-L233 PolarHBondContact O-N 3.5Å; N230-L233 PolarHBondContact O-N 2.98Å; L233-K237 HydrophobicContact CD2-CD 3.88Å; L233-K237 HydrophobicContact CD2-CG 4.44Å; L233-K237 WeakPolarHBondContact O-CG 3.39Å; L233-K237 PolarHBondContact O-N 3.41Å; L233-K237 VanDerWaalsContact O-N 3.14Å |
| 234 | M | 87.9 | Confident | 88.5 | Confident | 103 Ų | 103 | 100 Ų | 100 | 51% | 0.507 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.7 | -42.8 | 173.1 | -71.7 | -59.8 | -64.5 | 0 | 0 | 112.1 | N230 K231 Q232 K237 E238 | N230-M234 WeakPolarHBondContact O-CB 3.47Å; N230-M234 VanDerWaalsContact O-CG 3.29Å; N230-M234 WeakPolarHBondContact O-CG 3.32Å; N230-M234 PolarHBondContact O-N 2.85Å; K231-M234 PolarHBondContact O-N 3.46Å; Q232-M234 VanDerWaalsContact C-N 3.3Å; Q232-M234 PolarHBondContact O-N 3.14Å; M234-K237 PolarHBondContact O-N 3.31Å; M234-E238 WeakPolarHBondContact O-CG 3.49Å; M234-E238 PolarHBondContact O-N 3.4Å |
| 235 | Q | 89.8 | Confident | 88.5 | Confident | 120 Ų | 120 | 103.8 Ų | 103.8 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.7 | -43.7 | 174.9 | -75 | 177.3 | -13.3 | 0 | 0 | 112 | K231 Q232 K237 E238 D239 | K231-Q235 WeakPolarHBondContact O-CG 3.44Å; K231-Q235 PolarHBondContact O-N 2.93Å; Q232-Q235 PolarHBondContact O-N 3.38Å; Q235-K237 VanDerWaalsContact C-N 3.33Å; Q235-K237 PolarHBondContact O-N 3.14Å; Q235-E238 PolarHBondContact O-N 2.99Å; Q235-D239 WeakPolarHBondContact O-CB 3.34Å; Q235-D239 PolarHBondContact O-N 3.42Å |
| 236 | E | 86.5 | Confident | 88.6 | Confident | 132 Ų | 132 | 106.9 Ų | 106.9 | 62% | 0.617 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.4 | -41 | 176.3 | -74.8 | -175.4 | 161.1 | 0 | 0 | 112.2 | Q232 D239 E240 | Q232-E236 PolarHBondContact O-N 2.93Å; E236-D239 PolarHBondContact O-N 3.41Å; E236-E240 WeakPolarHBondContact O-CB 3.39Å; E236-E240 WeakPolarHBondContact O-CG 3.36Å; E236-E240 PolarHBondContact O-N 2.88Å |
| 237 | K | 88.5 | Confident | 88.7 | Confident | 125 Ų | 125 | 110.2 Ų | 110.2 | 54% | 0.543 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.6 | -40.4 | 175.4 | -78.6 | 177.8 | 175.4 | 171.5 | 0 | 112.3 | L233 M234 Q235 A241 | L233-K237 HydrophobicContact CD2-CD 3.88Å; L233-K237 HydrophobicContact CD2-CG 4.44Å; L233-K237 WeakPolarHBondContact O-CG 3.39Å; L233-K237 PolarHBondContact O-N 3.41Å; L233-K237 VanDerWaalsContact O-N 3.14Å; M234-K237 PolarHBondContact O-N 3.31Å; Q235-K237 VanDerWaalsContact C-N 3.33Å; Q235-K237 PolarHBondContact O-N 3.14Å; K237-A241 VanDerWaalsContact O-CB 3.29Å; K237-A241 WeakPolarHBondContact O-CB 3.26Å; K237-A241 PolarHBondContact O-N 3.36Å |
| 238 | E | 89 | Confident | 88.6 | Confident | 120 Ų | 120 | 112.5 Ų | 112.5 | 56% | 0.561 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.2 | -42.6 | 175.3 | -74 | 178.8 | 176.9 | 0 | 0 | 111.4 | M234 Q235 A241 T242 | M234-E238 WeakPolarHBondContact O-CG 3.49Å; M234-E238 PolarHBondContact O-N 3.4Å; Q235-E238 PolarHBondContact O-N 2.99Å; E238-A241 PolarHBondContact O-N 3.22Å; E238-T242 WeakPolarHBondContact O-CB 3.41Å; E238-T242 VanDerWaalsContact O-CG2 3.27Å; E238-T242 WeakPolarHBondContact O-CG2 3.29Å; E238-T242 PolarHBondContact O-N 3.18Å; E238-T242 PolarHBondContact O-OG1 3.02Å; E238-T242 VanDerWaalsContact O-OG1 3.09Å |
| 239 | D | 87.9 | Confident | 88.6 | Confident | 89 Ų | 89 | 109.8 Ų | 109.8 | 48% | 0.476 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 175.7 | -81 | -10.1 | 0 | 0 | 0 | 112.6 | Q235 E236 T242 K243 | Q235-D239 WeakPolarHBondContact O-CB 3.34Å; Q235-D239 PolarHBondContact O-N 3.42Å; E236-D239 PolarHBondContact O-N 3.41Å; D239-T242 WeakPolarHBondContact CA-OG1 3.43Å; D239-T242 PolarHBondContact O-OG1 2.89Å; D239-K243 VanDerWaalsContact O-CB 3.3Å; D239-K243 WeakPolarHBondContact O-CB 3.48Å; D239-K243 WeakPolarHBondContact O-CD 3.24Å; D239-K243 WeakPolarHBondContact O-CG 3.41Å; D239-K243 PolarHBondContact O-N 2.98Å |
| 240 | E | 86.5 | Confident | 88.8 | Confident | 111 Ų | 111 | 111.9 Ų | 111.9 | 52% | 0.519 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 173.3 | -79.2 | -163.5 | 175.5 | 0 | 0 | 112 | E236 K243 K244 | E236-E240 WeakPolarHBondContact O-CB 3.39Å; E236-E240 WeakPolarHBondContact O-CG 3.36Å; E236-E240 PolarHBondContact O-N 2.88Å; E240-K243 PolarHBondContact O-N 3.36Å; E240-K244 WeakPolarHBondContact O-CB 3.34Å; E240-K244 VanDerWaalsContact O-CG 3.29Å; E240-K244 WeakPolarHBondContact O-CG 3.44Å; E240-K244 PolarHBondContact O-N 2.97Å; E240-K244 IonicContact OE2-NZ 2.96Å |
| 241 | A | 88.6 | Confident | 88.8 | Confident | 45 Ų | 45 | 112.3 Ų | 112.3 | 37% | 0.372 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66 | -41.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | K237 E238 K244 K245 | K237-A241 VanDerWaalsContact O-CB 3.29Å; K237-A241 WeakPolarHBondContact O-CB 3.26Å; K237-A241 PolarHBondContact O-N 3.36Å; E238-A241 PolarHBondContact O-N 3.22Å; A241-K244 PolarHBondContact O-N 2.96Å; A241-K245 WeakPolarHBondContact O-CB 3.47Å; A241-K245 WeakPolarHBondContact O-CG 3.49Å; A241-K245 PolarHBondContact O-N 3.45Å |
| 242 | T | 88.9 | Confident | 88.7 | Confident | 67 Ų | 67 | 113.5 Ų | 113.5 | 41% | 0.411 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.8 | -43.9 | 175.6 | 55.9 | 0 | 0 | 0 | 0 | 111.4 | E238 D239 K244 K245 Q246 | E238-T242 WeakPolarHBondContact O-CB 3.41Å; E238-T242 VanDerWaalsContact O-CG2 3.27Å; E238-T242 WeakPolarHBondContact O-CG2 3.29Å; E238-T242 PolarHBondContact O-N 3.18Å; E238-T242 PolarHBondContact O-OG1 3.02Å; E238-T242 VanDerWaalsContact O-OG1 3.09Å; D239-T242 WeakPolarHBondContact CA-OG1 3.43Å; D239-T242 PolarHBondContact O-OG1 2.89Å; T242-K244 PolarHBondContact O-N 2.99Å; T242-K245 PolarHBondContact O-N 2.83Å; T242-Q246 WeakPolarHBondContact O-CG 3.44Å; T242-Q246 PolarHBondContact O-N 3.25Å |
| 243 | K | 89.2 | Confident | 88.9 | Confident | 118 Ų | 118 | 112.9 Ų | 112.9 | 51% | 0.513 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.8 | -44.1 | 173.6 | -74.3 | 168.8 | -172.8 | 166.1 | 0 | 112 | D239 E240 Q246 R247 | D239-K243 VanDerWaalsContact O-CB 3.3Å; D239-K243 WeakPolarHBondContact O-CB 3.48Å; D239-K243 WeakPolarHBondContact O-CD 3.24Å; D239-K243 WeakPolarHBondContact O-CG 3.41Å; D239-K243 PolarHBondContact O-N 2.98Å; E240-K243 PolarHBondContact O-N 3.36Å; K243-Q246 PolarHBondContact O-N 3.5Å; K243-R247 WeakPolarHBondContact O-CG 3.29Å; K243-R247 PolarHBondContact O-N 2.9Å |
| 244 | K | 89.2 | Confident | 89 | Confident | 115 Ų | 115 | 113.8 Ų | 113.8 | 50% | 0.5 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.9 | -48.8 | 174.8 | -77.1 | 171.6 | -175.6 | 163.8 | 0 | 110.9 | E240 A241 T242 Q246 R247 F248 | E240-K244 WeakPolarHBondContact O-CB 3.34Å; E240-K244 VanDerWaalsContact O-CG 3.29Å; E240-K244 WeakPolarHBondContact O-CG 3.44Å; E240-K244 PolarHBondContact O-N 2.97Å; E240-K244 IonicContact OE2-NZ 2.96Å; A241-K244 PolarHBondContact O-N 2.96Å; T242-K244 PolarHBondContact O-N 2.99Å; K244-Q246 VanDerWaalsContact C-N 3.34Å; K244-Q246 PolarHBondContact O-N 3.43Å; K244-R247 PolarHBondContact O-N 3.43Å; K244-F248 WeakPolarHBondContact O-CD2 3.5Å; K244-F248 PolarHBondContact O-N 3.41Å |
| 245 | K | 89.7 | Confident | 89 | Confident | 158 Ų | 158 | 113.8 Ų | 113.8 | 69% | 0.687 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -58.1 | -42.8 | 176.2 | -77.1 | 178.8 | -178.7 | 179.1 | 0 | 112.3 | A241 T242 F248 S249 | A241-K245 WeakPolarHBondContact O-CB 3.47Å; A241-K245 WeakPolarHBondContact O-CG 3.49Å; A241-K245 PolarHBondContact O-N 3.45Å; T242-K245 PolarHBondContact O-N 2.83Å; K245-F248 PolarHBondContact O-N 3.48Å; K245-S249 WeakPolarHBondContact O-CB 3.42Å; K245-S249 PolarHBondContact O-N 2.96Å |
| 246 | Q | 89.6 | Confident | 89.1 | Confident | 121 Ų | 121 | 111.3 Ų | 111.3 | 57% | 0.565 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64 | -41.9 | 176.4 | -73.7 | 177.1 | 3.9 | 0 | 0 | 112.2 | T242 K243 K244 S249 K250 | T242-Q246 WeakPolarHBondContact O-CG 3.44Å; T242-Q246 PolarHBondContact O-N 3.25Å; K243-Q246 PolarHBondContact O-N 3.5Å; K244-Q246 VanDerWaalsContact C-N 3.34Å; K244-Q246 PolarHBondContact O-N 3.43Å; Q246-S249 PolarHBondContact O-N 3.47Å; Q246-K250 WeakPolarHBondContact O-CG 3.36Å; Q246-K250 PolarHBondContact O-N 3.16Å |
| 247 | R | 89.6 | Confident | 89.3 | Confident | 175 Ų | 175 | 110.8 Ų | 110.8 | 66% | 0.66 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.4 | -47.3 | 174.8 | -72.4 | 176.8 | -174.3 | -173.1 | 2.3 | 111.5 | K243 K244 S249 K250 I251 | K243-R247 WeakPolarHBondContact O-CG 3.29Å; K243-R247 PolarHBondContact O-N 2.9Å; K244-R247 PolarHBondContact O-N 3.43Å; R247-S249 VanDerWaalsContact C-N 3.34Å; R247-S249 PolarHBondContact O-N 2.9Å; R247-K250 PolarHBondContact O-N 3.22Å; R247-I251 VanDerWaalsContact O-CG1 3.28Å; R247-I251 WeakPolarHBondContact O-CG1 3.35Å; R247-I251 PolarHBondContact O-N 3.44Å |
| 248 | F | 86.6 | Confident | 89.3 | Confident | 148 Ų | 148 | 108.6 Ų | 108.6 | 65% | 0.649 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.4 | -40.3 | 176.6 | -80.5 | -67.1 | 0 | 0 | 0 | 112.5 | K244 K245 I251 K252 | K244-F248 WeakPolarHBondContact O-CD2 3.5Å; K244-F248 PolarHBondContact O-N 3.41Å; K245-F248 PolarHBondContact O-N 3.48Å; F248-I251 PolarHBondContact O-N 2.81Å; F248-K252 WeakPolarHBondContact O-CB 3.41Å; F248-K252 PolarHBondContact O-N 3.11Å |
| 249 | S | 89.4 | Confident | 89.2 | Confident | 66 Ų | 66 | 107.1 Ų | 107.1 | 46% | 0.462 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 175.9 | -172.1 | 0 | 0 | 0 | 0 | 112 | K245 Q246 R247 K252 L253 | K245-S249 WeakPolarHBondContact O-CB 3.42Å; K245-S249 PolarHBondContact O-N 2.96Å; Q246-S249 PolarHBondContact O-N 3.47Å; R247-S249 VanDerWaalsContact C-N 3.34Å; R247-S249 PolarHBondContact O-N 2.9Å; S249-K252 PolarHBondContact O-N 3.23Å; S249-L253 WeakPolarHBondContact O-CG 3.42Å; S249-L253 PolarHBondContact O-N 2.89Å |
| 250 | K | 91.8 | Very high | 89.3 | Confident | 142 Ų | 142 | 109.4 Ų | 109.4 | 62% | 0.617 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.1 | -49.6 | 174.7 | -74.8 | -176.6 | -179.2 | -174.2 | 0 | 112.1 | Q246 R247 K252 L253 D254 | Q246-K250 WeakPolarHBondContact O-CG 3.36Å; Q246-K250 PolarHBondContact O-N 3.16Å; R247-K250 PolarHBondContact O-N 3.22Å; K250-K252 VanDerWaalsContact C-N 3.26Å; K250-K252 PolarHBondContact O-N 3.4Å; K250-L253 PolarHBondContact O-N 2.86Å; K250-D254 VanDerWaalsContact O-CG 3.32Å; K250-D254 PolarHBondContact O-N 3.49Å |
| 251 | I | 88.4 | Confident | 89.4 | Confident | 108 Ų | 108 | 108.9 Ų | 108.9 | 55% | 0.554 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -58.4 | -41.2 | 178.2 | -67.7 | 165.3 | 0 | 0 | 0 | 110.9 | R247 F248 D254 L255 | R247-I251 VanDerWaalsContact O-CG1 3.28Å; R247-I251 WeakPolarHBondContact O-CG1 3.35Å; R247-I251 PolarHBondContact O-N 3.44Å; F248-I251 PolarHBondContact O-N 2.81Å; I251-D254 PolarHBondContact O-N 2.96Å; I251-L255 WeakPolarHBondContact O-CB 3.43Å; I251-L255 PolarHBondContact O-N 2.87Å |
| 252 | K | 90.5 | Very high | 89.5 | Confident | 137 Ų | 137 | 114 Ų | 114 | 60% | 0.596 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.8 | -45.8 | 177.4 | -170.3 | -178.6 | 177.4 | -174.6 | 0 | 111.8 | F248 S249 K250 D254 L255 D256 | F248-K252 WeakPolarHBondContact O-CB 3.41Å; F248-K252 PolarHBondContact O-N 3.11Å; S249-K252 PolarHBondContact O-N 3.23Å; K250-K252 VanDerWaalsContact C-N 3.26Å; K250-K252 PolarHBondContact O-N 3.4Å; K252-D254 VanDerWaalsContact C-N 3.34Å; K252-D254 PolarHBondContact O-N 3.33Å; K252-L255 PolarHBondContact O-N 3.49Å; K252-D256 WeakPolarHBondContact O-CB 3.41Å; K252-D256 VanDerWaalsContact O-CG 3.27Å; K252-D256 PolarHBondContact O-N 2.92Å |
| 253 | L | 91.5 | Very high | 89.5 | Confident | 98 Ų | 98 | 116.6 Ų | 116.6 | 51% | 0.513 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.3 | -41.1 | 176.3 | -75.3 | 169 | 0 | 0 | 0 | 112.3 | S249 K250 D256 K257 | S249-L253 WeakPolarHBondContact O-CG 3.42Å; S249-L253 PolarHBondContact O-N 2.89Å; K250-L253 PolarHBondContact O-N 2.86Å; L253-D256 PolarHBondContact O-N 3.09Å; L253-K257 WeakPolarHBondContact O-CG 3.29Å; L253-K257 PolarHBondContact O-N 3.3Å |
| 254 | D | 90.4 | Very high | 89.6 | Confident | 91 Ų | 91 | 115.7 Ų | 115.7 | 49% | 0.487 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.5 | -40.6 | 178.1 | -67.2 | -22.8 | 0 | 0 | 0 | 111.2 | K250 I251 K252 K257 C258 | K250-D254 VanDerWaalsContact O-CG 3.32Å; K250-D254 PolarHBondContact O-N 3.49Å; I251-D254 PolarHBondContact O-N 2.96Å; K252-D254 VanDerWaalsContact C-N 3.34Å; K252-D254 PolarHBondContact O-N 3.33Å; D254-K257 PolarHBondContact O-N 3.04Å; D254-C258 PolarHBondContact O-N 2.92Å; D254-C258 PolarHBondContact O-SG 3.47Å; D254-C258 VanDerWaalsContact O-SG 3.41Å |
| 255 | L | 88.6 | Confident | 89.5 | Confident | 103 Ų | 103 | 117 Ų | 117 | 54% | 0.539 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.8 | -45.4 | 174.1 | -175.7 | 67.4 | 0 | 0 | 0 | 111.8 | I251 K252 K257 C258 L259 | I251-L255 WeakPolarHBondContact O-CB 3.43Å; I251-L255 PolarHBondContact O-N 2.87Å; K252-L255 PolarHBondContact O-N 3.49Å; L255-K257 VanDerWaalsContact C-N 3.34Å; L255-K257 PolarHBondContact O-N 2.87Å; L255-C258 PolarHBondContact O-N 3.38Å; L255-L259 HydrophobicContact CG-CD1 4.32Å; L255-L259 WeakPolarHBondContact O-CG 3.43Å; L255-L259 PolarHBondContact O-N 3.28Å |
| 256 | D | 91.5 | Very high | 89.5 | Confident | 69 Ų | 69 | 114.5 Ų | 114.5 | 37% | 0.369 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 178.7 | -72.6 | -20.4 | 0 | 0 | 0 | 111.1 | K252 L253 L259 Q260 | K252-D256 WeakPolarHBondContact O-CB 3.41Å; K252-D256 VanDerWaalsContact O-CG 3.27Å; K252-D256 PolarHBondContact O-N 2.92Å; L253-D256 PolarHBondContact O-N 3.09Å; D256-L259 PolarHBondContact O-N 3.28Å; D256-Q260 WeakPolarHBondContact O-CG 3.46Å; D256-Q260 PolarHBondContact O-N 3.38Å |
| 257 | K | 90.5 | Very high | 89.3 | Confident | 121 Ų | 121 | 111.2 Ų | 111.2 | 53% | 0.526 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.6 | -48.5 | 172.5 | -76 | 175.8 | -178.4 | 177.5 | 0 | 112.2 | L253 D254 L255 L259 Q260 E261 | L253-K257 WeakPolarHBondContact O-CG 3.29Å; L253-K257 PolarHBondContact O-N 3.3Å; D254-K257 PolarHBondContact O-N 3.04Å; L255-K257 VanDerWaalsContact C-N 3.34Å; L255-K257 PolarHBondContact O-N 2.87Å; K257-L259 VanDerWaalsContact C-N 3.25Å; K257-L259 PolarHBondContact O-N 2.93Å; K257-Q260 PolarHBondContact O-N 2.86Å; K257-E261 PolarHBondContact O-N 3.5Å |
| 258 | C | 88.6 | Confident | 89.2 | Confident | 79 Ų | 79 | 107.4 Ų | 107.4 | 53% | 0.534 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.9 | -36.8 | 177.4 | -74.3 | 0 | 0 | 0 | 0 | 112.2 | D254 L255 K262 | D254-C258 PolarHBondContact O-N 2.92Å; D254-C258 PolarHBondContact O-SG 3.47Å; D254-C258 VanDerWaalsContact O-SG 3.41Å; L255-C258 PolarHBondContact O-N 3.38Å; C258-K262 WeakPolarHBondContact O-CB 3.38Å; C258-K262 PolarHBondContact O-N 2.84Å |
| 259 | L | 87.2 | Confident | 89 | Confident | 89 Ų | 89 | 106.1 Ų | 106.1 | 47% | 0.466 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.6 | -43.3 | 175.4 | -72.9 | 173.7 | 0 | 0 | 0 | 112.1 | L255 D256 K257 K262 L263 | L255-L259 HydrophobicContact CG-CD1 4.32Å; L255-L259 WeakPolarHBondContact O-CG 3.43Å; L255-L259 PolarHBondContact O-N 3.28Å; D256-L259 PolarHBondContact O-N 3.28Å; K257-L259 VanDerWaalsContact C-N 3.25Å; K257-L259 PolarHBondContact O-N 2.93Å; L259-K262 PolarHBondContact O-N 2.87Å; L259-L263 WeakPolarHBondContact O-CG 3.43Å; L259-L263 PolarHBondContact O-N 3.31Å |
| 260 | Q | 88.9 | Confident | 88.7 | Confident | 137 Ų | 137 | 110.1 Ų | 110.1 | 64% | 0.64 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.4 | -45.9 | 175.6 | -75.6 | 179.3 | -6.8 | 0 | 0 | 111.9 | D256 K257 K262 L263 L264 | D256-Q260 WeakPolarHBondContact O-CG 3.46Å; D256-Q260 PolarHBondContact O-N 3.38Å; K257-Q260 PolarHBondContact O-N 2.86Å; Q260-K262 VanDerWaalsContact C-N 3.32Å; Q260-K262 PolarHBondContact O-N 2.88Å; Q260-L263 PolarHBondContact O-N 3.31Å; Q260-L264 PolarHBondContact O-N 3.47Å |
| 261 | E | 89.5 | Confident | 88.3 | Confident | 100 Ų | 100 | 108.1 Ų | 108.1 | 47% | 0.467 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.7 | -41.4 | 175.8 | -75.1 | -178.3 | -163.7 | 0 | 0 | 112.2 | K257 L263 L264 R265 | K257-E261 PolarHBondContact O-N 3.5Å; E261-L263 VanDerWaalsContact C-N 3.34Å; E261-L263 PolarHBondContact O-N 3.22Å; E261-L264 PolarHBondContact O-N 2.94Å; E261-R265 WeakPolarHBondContact O-CG 3.47Å; E261-R265 PolarHBondContact O-N 3.07Å; E261-R265 IonicContact OE2-NH2 2.64Å; E261-R265 PolarHBondContact OE2-NH2 2.86Å; E261-R265 VanDerWaalsContact OE2-NH2 3.1Å |
| 262 | K | 90.5 | Very high | 87.9 | Confident | 151 Ų | 151 | 108.8 Ų | 108.8 | 66% | 0.657 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65 | -38.3 | 177.9 | -171.4 | 176.5 | -177.6 | 177.7 | 0 | 111.9 | C258 L259 Q260 K266 | C258-K262 WeakPolarHBondContact O-CB 3.38Å; C258-K262 PolarHBondContact O-N 2.84Å; L259-K262 PolarHBondContact O-N 2.87Å; Q260-K262 VanDerWaalsContact C-N 3.32Å; Q260-K262 PolarHBondContact O-N 2.88Å; K262-K266 WeakPolarHBondContact O-CB 3.32Å; K262-K266 PolarHBondContact O-N 2.87Å; K262-K266 VanDerWaalsContact O-N 3.14Å |
| 263 | L | 88.5 | Confident | 87.4 | Confident | 122 Ų | 122 | 108.3 Ų | 108.3 | 64% | 0.639 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68 | -40.3 | 175.3 | -72.8 | 173.3 | 0 | 0 | 0 | 111.8 | L259 Q260 E261 K266 S267 | L259-L263 WeakPolarHBondContact O-CG 3.43Å; L259-L263 PolarHBondContact O-N 3.31Å; Q260-L263 PolarHBondContact O-N 3.31Å; E261-L263 VanDerWaalsContact C-N 3.34Å; E261-L263 PolarHBondContact O-N 3.22Å; L263-K266 PolarHBondContact O-N 2.93Å; L263-S267 PolarHBondContact O-N 2.97Å |
| 264 | L | 91.3 | Very high | 86.8 | Confident | 100 Ų | 100 | 105.8 Ų | 105.8 | 52% | 0.524 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.2 | -51.5 | 177 | -161.7 | 110.4 | 0 | 0 | 0 | 111.1 | Q260 E261 K266 S267 E268 | Q260-L264 PolarHBondContact O-N 3.47Å; E261-L264 PolarHBondContact O-N 2.94Å; L264-K266 VanDerWaalsContact C-N 3.31Å; L264-K266 PolarHBondContact O-N 3.3Å; L264-S267 WeakPolarHBondContact O-CA 3.33Å; L264-S267 WeakPolarHBondContact O-CB 3.27Å; L264-S267 PolarHBondContact O-N 3.48Å; L264-S267 PolarHBondContact O-OG 3.37Å; L264-E268 WeakPolarHBondContact CD2-OE1 3.27Å; L264-E268 WeakPolarHBondContact O-CG 3.36Å; L264-E268 PolarHBondContact O-N 2.88Å |
| 265 | R | 87.8 | Confident | 86.4 | Confident | 141 Ų | 141 | 107.6 Ų | 107.6 | 53% | 0.532 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -56.2 | -44.1 | 176.4 | -71.3 | -177.4 | -137 | 171.1 | 3.7 | 112.3 | E261 S267 E268 E269 | E261-R265 WeakPolarHBondContact O-CG 3.47Å; E261-R265 PolarHBondContact O-N 3.07Å; E261-R265 IonicContact OE2-NH2 2.64Å; E261-R265 PolarHBondContact OE2-NH2 2.86Å; E261-R265 VanDerWaalsContact OE2-NH2 3.1Å; R265-S267 VanDerWaalsContact C-N 3.26Å; R265-S267 PolarHBondContact O-N 2.86Å; R265-E268 PolarHBondContact O-N 3.45Å; R265-E269 WeakPolarHBondContact O-CG 3.36Å; R265-E269 PolarHBondContact O-N 3.35Å |
| 266 | K | 88.1 | Confident | 85.6 | Confident | 106 Ų | 106 | 106.3 Ų | 106.3 | 46% | 0.461 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.4 | -30.4 | 177.8 | -168.4 | 175.7 | -176.4 | 178 | 0 | 112.6 | K262 L263 L264 R270 | K262-K266 WeakPolarHBondContact O-CB 3.32Å; K262-K266 PolarHBondContact O-N 2.87Å; K262-K266 VanDerWaalsContact O-N 3.14Å; L263-K266 PolarHBondContact O-N 2.93Å; L264-K266 VanDerWaalsContact C-N 3.31Å; L264-K266 PolarHBondContact O-N 3.3Å; K266-R270 VanDerWaalsContact O-CG 3.32Å; K266-R270 WeakPolarHBondContact O-CG 3.29Å; K266-R270 PolarHBondContact O-N 3.4Å |
| 267 | S | 86 | Confident | 84.9 | Confident | 53 Ų | 53 | 107.2 Ų | 107.2 | 37% | 0.371 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -74.6 | -37.1 | 174.5 | 75.6 | 0 | 0 | 0 | 0 | 112.3 | L263 L264 R265 R270 N271 | L263-S267 PolarHBondContact O-N 2.97Å; L264-S267 WeakPolarHBondContact O-CA 3.33Å; L264-S267 WeakPolarHBondContact O-CB 3.27Å; L264-S267 PolarHBondContact O-N 3.48Å; L264-S267 PolarHBondContact O-OG 3.37Å; R265-S267 VanDerWaalsContact C-N 3.26Å; R265-S267 PolarHBondContact O-N 2.86Å; S267-R270 PolarHBondContact O-N 3.21Å; S267-N271 VanDerWaalsContact O-CG 3.29Å; S267-N271 PolarHBondContact O-N 3.03Å; S267-N271 PolarHBondContact O-ND2 3.47Å |
| 268 | E | 88.6 | Confident | 84.2 | Confident | 94 Ų | 94 | 106.5 Ų | 106.5 | 44% | 0.439 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.5 | -45.8 | 175.2 | -68.4 | 171.3 | 165 | 0 | 0 | 111.5 | L264 R265 R270 N271 Q272 | L264-E268 WeakPolarHBondContact CD2-OE1 3.27Å; L264-E268 WeakPolarHBondContact O-CG 3.36Å; L264-E268 PolarHBondContact O-N 2.88Å; R265-E268 PolarHBondContact O-N 3.45Å; E268-R270 VanDerWaalsContact C-N 3.33Å; E268-R270 PolarHBondContact O-N 2.94Å; E268-N271 PolarHBondContact O-N 3.41Å; E268-N271 VanDerWaalsContact O-N 3.15Å; E268-Q272 WeakPolarHBondContact O-CG 3.48Å; E268-Q272 PolarHBondContact O-N 3.2Å |
| 269 | E | 81.6 | Confident | 83.6 | Confident | 121 Ų | 121 | 108.1 Ų | 108.1 | 57% | 0.565 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -56.8 | -44.8 | 175.3 | -75.1 | 171.7 | -179.4 | 0 | 0 | 111.5 | R265 N271 Q272 E273 | R265-E269 WeakPolarHBondContact O-CG 3.36Å; R265-E269 PolarHBondContact O-N 3.35Å; E269-N271 PolarHBondContact O-N 2.95Å; E269-Q272 PolarHBondContact O-N 2.97Å; E269-E273 WeakPolarHBondContact O-CB 3.35Å; E269-E273 PolarHBondContact O-N 2.95Å |
| 270 | R | 82.7 | Confident | 83 | Confident | 150 Ų | 150 | 108.6 Ų | 108.6 | 57% | 0.566 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.6 | -38.4 | 176.5 | -76.8 | 174.4 | 175.7 | 168.5 | -6.4 | 112.9 | K266 S267 E268 A274 | K266-R270 VanDerWaalsContact O-CG 3.32Å; K266-R270 WeakPolarHBondContact O-CG 3.29Å; K266-R270 PolarHBondContact O-N 3.4Å; S267-R270 PolarHBondContact O-N 3.21Å; E268-R270 VanDerWaalsContact C-N 3.33Å; E268-R270 PolarHBondContact O-N 2.94Å; R270-A274 WeakPolarHBondContact O-CB 3.45Å; R270-A274 PolarHBondContact O-N 2.87Å |
| 271 | N | 83.4 | Confident | 82.3 | Confident | 101 Ų | 101 | 105.7 Ų | 105.7 | 54% | 0.54 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.8 | -39.4 | 176.7 | -73.9 | -18.5 | 0 | 0 | 0 | 111.3 | S267 E268 E269 A274 Q275 | S267-N271 VanDerWaalsContact O-CG 3.29Å; S267-N271 PolarHBondContact O-N 3.03Å; S267-N271 PolarHBondContact O-ND2 3.47Å; E268-N271 PolarHBondContact O-N 3.41Å; E268-N271 VanDerWaalsContact O-N 3.15Å; E269-N271 PolarHBondContact O-N 2.95Å; N271-A274 PolarHBondContact O-N 3.47Å; N271-Q275 VanDerWaalsContact O-CG 3.31Å; N271-Q275 WeakPolarHBondContact O-CG 3.47Å; N271-Q275 PolarHBondContact O-N 3.19Å |
| 272 | Q | 80.4 | Confident | 81.5 | Confident | 122 Ų | 122 | 106.4 Ų | 106.4 | 57% | 0.57 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.4 | -45.7 | 174.7 | -71.9 | 175.4 | 5.1 | 0 | 0 | 111.6 | E268 E269 A274 Q275 C276 | E268-Q272 WeakPolarHBondContact O-CG 3.48Å; E268-Q272 PolarHBondContact O-N 3.2Å; E269-Q272 PolarHBondContact O-N 2.97Å; Q272-A274 VanDerWaalsContact C-N 3.33Å; Q272-A274 PolarHBondContact O-N 2.96Å; Q272-Q275 WeakPolarHBondContact O-CB 3.49Å; Q272-Q275 PolarHBondContact O-N 3.38Å; Q272-Q275 VanDerWaalsContact O-N 3.15Å; Q272-C276 PolarHBondContact O-N 2.93Å; Q272-C276 PolarHBondContact O-SG 2.89Å |
| 273 | E | 79.6 | Confident | 80.5 | Confident | 126 Ų | 126 | 103.7 Ų | 103.7 | 59% | 0.589 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.8 | -41.4 | 177 | -168.7 | 175.8 | -165.7 | 0 | 0 | 111.6 | E269 Q275 C276 N277 | E269-E273 WeakPolarHBondContact O-CB 3.35Å; E269-E273 PolarHBondContact O-N 2.95Å; E273-Q275 PolarHBondContact O-N 2.9Å; E273-C276 PolarHBondContact O-N 3.4Å; E273-N277 WeakPolarHBondContact O-CB 3.35Å; E273-N277 VanDerWaalsContact O-CG 3.28Å; E273-N277 PolarHBondContact O-N 3.39Å; E273-N277 PolarHBondContact O-ND2 2.97Å |
| 274 | A | 79.8 | Confident | 79.8 | Confident | 46 Ų | 46 | 102.5 Ų | 102.5 | 38% | 0.38 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.4 | -38.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | R270 N271 Q272 N277 N278 | R270-A274 WeakPolarHBondContact O-CB 3.45Å; R270-A274 PolarHBondContact O-N 2.87Å; N271-A274 PolarHBondContact O-N 3.47Å; Q272-A274 VanDerWaalsContact C-N 3.33Å; Q272-A274 PolarHBondContact O-N 2.96Å; A274-N277 PolarHBondContact O-N 3.36Å; A274-N278 VanDerWaalsContact O-CG 3.27Å; A274-N278 PolarHBondContact O-N 3.37Å; A274-N278 VanDerWaalsContact O-N 3.07Å; A274-N278 PolarHBondContact O-ND2 3.4Å |
| 275 | Q | 80.1 | Confident | 78.6 | Confident | 129 Ų | 129 | 104 Ų | 104 | 60% | 0.603 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.2 | -43.8 | 175.2 | -73.8 | 173.8 | 5.2 | 0 | 0 | 112.1 | N271 Q272 E273 N277 N278 L279 | N271-Q275 VanDerWaalsContact O-CG 3.31Å; N271-Q275 WeakPolarHBondContact O-CG 3.47Å; N271-Q275 PolarHBondContact O-N 3.19Å; Q272-Q275 WeakPolarHBondContact O-CB 3.49Å; Q272-Q275 PolarHBondContact O-N 3.38Å; Q272-Q275 VanDerWaalsContact O-N 3.15Å; E273-Q275 PolarHBondContact O-N 2.9Å; Q275-N277 VanDerWaalsContact C-N 3.33Å; Q275-N277 PolarHBondContact O-N 2.97Å; Q275-N278 PolarHBondContact O-N 3.19Å; Q275-L279 PolarHBondContact O-N 2.99Å |
| 276 | C | 72.2 | Confident | 77 | Confident | 76 Ų | 76 | 103 Ų | 103 | 51% | 0.514 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 175.7 | -70.8 | 0 | 0 | 0 | 0 | 111.9 | Q272 E273 N278 L279 L280 | Q272-C276 PolarHBondContact O-N 2.93Å; Q272-C276 PolarHBondContact O-SG 2.89Å; E273-C276 PolarHBondContact O-N 3.4Å; C276-N278 VanDerWaalsContact C-N 3.35Å; C276-N278 PolarHBondContact O-N 3.32Å; C276-L279 PolarHBondContact O-N 3.47Å; C276-L280 PolarHBondContact O-N 2.91Å |
| 277 | N | 76.6 | Confident | 75.7 | Confident | 87 Ų | 87 | 100.9 Ų | 100.9 | 47% | 0.465 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.5 | -38 | 177.7 | -72.7 | -26.8 | 0 | 0 | 0 | 112.4 | E273 A274 Q275 T281 | E273-N277 WeakPolarHBondContact O-CB 3.35Å; E273-N277 VanDerWaalsContact O-CG 3.28Å; E273-N277 PolarHBondContact O-N 3.39Å; E273-N277 PolarHBondContact O-ND2 2.97Å; A274-N277 PolarHBondContact O-N 3.36Å; Q275-N277 VanDerWaalsContact C-N 3.33Å; Q275-N277 PolarHBondContact O-N 2.97Å; N277-T281 PolarHBondContact O-N 3.45Å; N277-T281 VanDerWaalsContact O-N 3.11Å; N277-T281 PolarHBondContact O-OG1 3.27Å |
| 278 | N | 76 | Confident | 74.1 | Confident | 106 Ų | 106 | 103.9 Ų | 103.9 | 57% | 0.567 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.3 | -38.4 | 174.8 | -71.5 | -15.6 | 0 | 0 | 0 | 112.5 | A274 Q275 C276 T281 L282 | A274-N278 VanDerWaalsContact O-CG 3.27Å; A274-N278 PolarHBondContact O-N 3.37Å; A274-N278 VanDerWaalsContact O-N 3.07Å; A274-N278 PolarHBondContact O-ND2 3.4Å; Q275-N278 PolarHBondContact O-N 3.19Å; C276-N278 VanDerWaalsContact C-N 3.35Å; C276-N278 PolarHBondContact O-N 3.32Å; N278-T281 VanDerWaalsContact CA-OG1 3.3Å; N278-T281 WeakPolarHBondContact CA-OG1 3.27Å; N278-T281 PolarHBondContact O-N 2.89Å; N278-T281 PolarHBondContact O-OG1 3.47Å; N278-L282 PolarHBondContact O-N 3.32Å; N278-L282 VanDerWaalsContact O-N 3.12Å |
| 279 | L | 76.1 | Confident | 72.3 | Confident | 114 Ų | 114 | 107.5 Ų | 107.5 | 60% | 0.597 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.2 | -44.2 | 175.7 | -111.4 | 159.9 | 0 | 0 | 0 | 112.2 | Q275 C276 T281 L282 L283 | Q275-L279 PolarHBondContact O-N 2.99Å; C276-L279 PolarHBondContact O-N 3.47Å; L279-T281 VanDerWaalsContact C-N 3.33Å; L279-T281 PolarHBondContact O-N 2.93Å; L279-L282 PolarHBondContact O-N 3.35Å; L279-L283 PolarHBondContact O-N 2.96Å |
| 280 | L | 75.9 | Confident | 70.6 | Confident | 98 Ų | 98 | 109.8 Ų | 109.8 | 51% | 0.513 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.4 | -40.1 | 176.8 | -86.6 | 161.2 | 0 | 0 | 0 | 112.3 | C276 N284 | C276-L280 PolarHBondContact O-N 2.91Å; L280-N284 PolarHBondContact O-N 3.46Å; L280-N284 VanDerWaalsContact O-N 3.1Å; L280-N284 PolarHBondContact O-ND2 2.96Å |
| 281 | T | 73.3 | Confident | 68.9 | Low | 77 Ų | 77 | 112 Ų | 112 | 47% | 0.472 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.7 | -37.5 | 177.5 | 31 | 0 | 0 | 0 | 0 | 112.3 | N277 N278 L279 Q285 | N277-T281 PolarHBondContact O-N 3.45Å; N277-T281 VanDerWaalsContact O-N 3.11Å; N277-T281 PolarHBondContact O-OG1 3.27Å; N278-T281 VanDerWaalsContact CA-OG1 3.3Å; N278-T281 WeakPolarHBondContact CA-OG1 3.27Å; N278-T281 PolarHBondContact O-N 2.89Å; N278-T281 PolarHBondContact O-OG1 3.47Å; L279-T281 VanDerWaalsContact C-N 3.33Å; L279-T281 PolarHBondContact O-N 2.93Å; T281-Q285 WeakPolarHBondContact O-CG 3.18Å; T281-Q285 PolarHBondContact O-N 3.17Å |
| 282 | L | 72.2 | Confident | 66.8 | Low | 115 Ų | 115 | 112.5 Ų | 112.5 | 60% | 0.602 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.7 | -44.4 | 174.5 | -126.2 | 118 | 0 | 0 | 0 | 112.2 | N278 L279 N284 Q285 Q286 | N278-L282 PolarHBondContact O-N 3.32Å; N278-L282 VanDerWaalsContact O-N 3.12Å; L279-L282 PolarHBondContact O-N 3.35Å; L282-N284 PolarHBondContact O-N 2.9Å; L282-Q285 PolarHBondContact O-N 3.32Å; L282-Q286 PolarHBondContact O-N 2.95Å; L282-Q286 VanDerWaalsContact O-N 3.13Å |
| 283 | L | 70.7 | Confident | 64.6 | Low | 93 Ų | 93 | 109.7 Ų | 109.7 | 49% | 0.487 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.7 | -43.6 | 178.2 | -84.3 | 162.5 | 0 | 0 | 0 | 112.1 | L279 Q285 Q286 V287 | L279-L283 PolarHBondContact O-N 2.96Å; L283-Q285 PolarHBondContact O-N 2.98Å; L283-Q286 WeakPolarHBondContact O-CB 3.5Å; L283-Q286 PolarHBondContact O-N 2.95Å; L283-Q286 VanDerWaalsContact O-N 3.12Å; L283-V287 WeakPolarHBondContact O-CG2 3.46Å; L283-V287 PolarHBondContact O-N 3.47Å |
| 284 | N | 72.5 | Confident | 62.6 | Low | 97 Ų | 97 | 113.8 Ų | 113.8 | 52% | 0.519 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.2 | -39.8 | 177.8 | -77.2 | -27.6 | 0 | 0 | 0 | 112.1 | L280 L282 Q286 V287 D288 | L280-N284 PolarHBondContact O-N 3.46Å; L280-N284 VanDerWaalsContact O-N 3.1Å; L280-N284 PolarHBondContact O-ND2 2.96Å; L282-N284 PolarHBondContact O-N 2.9Å; N284-Q286 PolarHBondContact O-N 3.35Å; N284-V287 PolarHBondContact O-N 3.31Å; N284-D288 PolarHBondContact O-N 2.91Å; N284-D288 VanDerWaalsContact O-N 3.07Å |
| 285 | Q | 66.3 | Low | 61 | Low | 131 Ų | 131 | 117.7 Ų | 117.7 | 61% | 0.612 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.3 | -27.3 | 174 | -72.6 | 179.9 | 7.7 | 0 | 0 | 113.1 | T281 L282 L283 | T281-Q285 WeakPolarHBondContact O-CG 3.18Å; T281-Q285 PolarHBondContact O-N 3.17Å; L282-Q285 PolarHBondContact O-N 3.32Å; L283-Q285 PolarHBondContact O-N 2.98Å |
| 286 | Q | 54.8 | Low | 59.6 | Low | 121 Ų | 121 | 122.8 Ų | 122.8 | 57% | 0.565 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -77.3 | -41.8 | 177.2 | -137.3 | 164 | -10.3 | 0 | 0 | 111.3 | L282 L283 N284 D288 K289 | L282-Q286 PolarHBondContact O-N 2.95Å; L282-Q286 VanDerWaalsContact O-N 3.13Å; L283-Q286 WeakPolarHBondContact O-CB 3.5Å; L283-Q286 PolarHBondContact O-N 2.95Å; L283-Q286 VanDerWaalsContact O-N 3.12Å; N284-Q286 PolarHBondContact O-N 3.35Å; Q286-D288 VanDerWaalsContact C-N 3.33Å; Q286-D288 PolarHBondContact O-N 3.39Å; Q286-K289 PolarHBondContact O-N 2.93Å |
| 287 | V | 60.3 | Low | 58.6 | Low | 62 Ų | 62 | 125.6 Ų | 125.6 | 38% | 0.376 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -65.8 | -34.6 | 177.3 | 172.9 | 0 | 0 | 0 | 0 | 112.2 | L283 N284 K289 E290 | L283-V287 WeakPolarHBondContact O-CG2 3.46Å; L283-V287 PolarHBondContact O-N 3.47Å; N284-V287 PolarHBondContact O-N 3.31Å; V287-K289 VanDerWaalsContact C-N 3.3Å; V287-K289 PolarHBondContact O-N 3.21Å; V287-E290 PolarHBondContact O-N 3.44Å |
| 288 | D | 52.4 | Low | 57.5 | Low | 115 Ų | 115 | 126.5 Ų | 126.5 | 62% | 0.615 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -72.1 | -21.8 | 178.9 | -74.5 | -23.4 | 0 | 0 | 0 | 113.3 | N284 Q286 | N284-D288 PolarHBondContact O-N 2.91Å; N284-D288 VanDerWaalsContact O-N 3.07Å; Q286-D288 VanDerWaalsContact C-N 3.33Å; Q286-D288 PolarHBondContact O-N 3.39Å |
| 289 | K | 50.5 | Low | 56.7 | Low | 170 Ų | 170 | 126.8 Ų | 126.8 | 74% | 0.739 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -78.1 | -26.8 | 175.6 | -73.8 | 179 | -178.5 | 177.2 | 0 | 113.8 | Q286 V287 | Q286-K289 PolarHBondContact O-N 2.93Å; V287-K289 VanDerWaalsContact C-N 3.3Å; V287-K289 PolarHBondContact O-N 3.21Å |
| 290 | E | 46.2 | Very low | 55.9 | Low | 170 Ų | 170 | 126.1 Ų | 126.1 | 79% | 0.794 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -88.9 | -9 | -174.8 | -66.7 | -163.6 | 164.2 | 0 | 0 | 114.3 | V287 S292 | V287-E290 PolarHBondContact O-N 3.44Å; E290-S292 VanDerWaalsContact C-N 3.31Å; E290-S292 PolarHBondContact O-N 3.39Å |
| 291 | R | 47.4 | Very low | 55.4 | Low | 195 Ų | 195 | 126.8 Ų | 126.8 | 74% | 0.736 | 64% | 0.639 | S | S | * | * | trans | -80.6 | 4.7 | -169.7 | -79.9 | -180 | 172.2 | -174.3 | 0.4 | 116.3 | G293 | R291-G293 PolarHBondContact O-N 3.49Š| ||
| 292 | S | 38.7 | Very low | 55.4 | Low | 113 Ų | 113 | 129.1 Ų | 129.1 | 79% | 0.79 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -95.4 | 80.4 | 176.2 | 62.2 | 0 | 0 | 0 | 0 | 112.9 | E290 | E290-S292 VanDerWaalsContact C-N 3.31Å; E290-S292 PolarHBondContact O-N 3.39Å |
| 293 | G | 35.2 | Very low | 55.5 | Low | 62 Ų | 62 | 131.4 Ų | 131.4 | 64% | 0.639 | 65% | 0.648 | S | S | * | * | S | Bend | trans | 151 | 84.8 | 158.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | R291 | R291-G293 PolarHBondContact O-N 3.49Š|
| 294 | K | 37.5 | Very low | 55.8 | Low | 212 Ų | 212 | 133.1 Ų | 133.1 | 92% | 0.922 | 65% | 0.653 | S | S | * | * | trans | 173.8 | 108.9 | 145.9 | -94.4 | 155.7 | -168.2 | -173.9 | 0 | 109.6 | ||||
| 295 | Q | 46.7 | Very low | 56.1 | Low | 129 Ų | 129 | 130.6 Ų | 130.6 | 60% | 0.603 | 65% | 0.646 | S | S | * | * | trans | -140.7 | 96.3 | -173.7 | -174.8 | 92.4 | 3 | 0 | 0 | 109.1 | K298 | Q295-K298 VanDerWaalsContact CD-CD 3.49Š| ||
| 296 | R | 49.4 | Very low | 56.9 | Low | 236 Ų | 236 | 129.8 Ų | 129.8 | 89% | 0.891 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -166.4 | -16.6 | 145.3 | -102.7 | 162.4 | -164.9 | -172 | 4.9 | 114.9 | K298 | R296-K298 PolarHBondContact O-N 2.89Å; R296-K298 VanDerWaalsContact O-N 3.08Å |
| 297 | D | 51.2 | Low | 58.2 | Low | 135 Ų | 135 | 130.8 Ų | 130.8 | 72% | 0.722 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | 10.9 | 169.1 | -61.9 | -31 | 0 | 0 | 0 | 114.6 | V299 L301 | D297-V299 PolarHBondContact O-N 3.49Å; D297-L301 WeakPolarHBondContact O-CD1 3.3Å |
| 298 | K | 53.8 | Low | 59.3 | Low | 105 Ų | 105 | 135.6 Ų | 135.6 | 46% | 0.457 | 66% | 0.662 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83 | -5.6 | -169.8 | -146.7 | 174.3 | -166.9 | 173.2 | 0 | 114.6 | Q295 R296 K302 | Q295-K298 VanDerWaalsContact CD-CD 3.49Å; R296-K298 PolarHBondContact O-N 2.89Å; R296-K298 VanDerWaalsContact O-N 3.08Å; K298-K302 WeakPolarHBondContact O-CB 3.46Å; K298-K302 VanDerWaalsContact O-CD 3.26Å; K298-K302 WeakPolarHBondContact O-CD 3.33Å; K298-K302 WeakPolarHBondContact O-CG 3.44Å |
| 299 | V | 58.8 | Low | 60.9 | Low | 113 Ų | 113 | 135.1 Ų | 135.1 | 69% | 0.685 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | -40.5 | -171.3 | -178.7 | 0 | 0 | 0 | 0 | 112.5 | D297 K302 K303 | D297-V299 PolarHBondContact O-N 3.49Å; V299-K302 WeakPolarHBondContact O-CB 3.47Å; V299-K302 PolarHBondContact O-N 3.32Å; V299-K303 PolarHBondContact O-N 2.88Å |
| 300 | T | 60 | Low | 62.7 | Low | 99 Ų | 99 | 131.7 Ų | 131.7 | 61% | 0.607 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70.5 | -46.4 | 175 | 45.8 | 0 | 0 | 0 | 0 | 111 | K302 K303 E304 | T300-K302 PolarHBondContact O-N 2.93Å; T300-K302 VanDerWaalsContact O-N 3.13Å; T300-K303 PolarHBondContact O-N 2.71Å; T300-E304 PolarHBondContact O-N 2.91Å |
| 301 | L | 65 | Low | 64.7 | Low | 113 Ų | 113 | 129.8 Ų | 129.8 | 59% | 0.592 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -55.9 | -29.5 | 171.7 | -78 | 168.1 | 0 | 0 | 0 | 112.7 | D297 A305 | D297-L301 WeakPolarHBondContact O-CD1 3.3Å; L301-A305 WeakPolarHBondContact O-CB 3.3Å; L301-A305 PolarHBondContact O-N 3.33Å |
| 302 | K | 74.2 | Confident | 66.7 | Low | 126 Ų | 126 | 122.3 Ų | 122.3 | 55% | 0.548 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -70.9 | -38.6 | 176.1 | -90.1 | 178.8 | -177.2 | -168.4 | 0 | 113.3 | K298 V299 T300 L306 | K298-K302 WeakPolarHBondContact O-CB 3.46Å; K298-K302 VanDerWaalsContact O-CD 3.26Å; K298-K302 WeakPolarHBondContact O-CD 3.33Å; K298-K302 WeakPolarHBondContact O-CG 3.44Å; V299-K302 WeakPolarHBondContact O-CB 3.47Å; V299-K302 PolarHBondContact O-N 3.32Å; T300-K302 PolarHBondContact O-N 2.93Å; T300-K302 VanDerWaalsContact O-N 3.13Å; K302-L306 VanDerWaalsContact O-CG 3.26Å; K302-L306 WeakPolarHBondContact O-CG 3.25Å; K302-L306 PolarHBondContact O-N 3.31Å |
| 303 | K | 75 | Confident | 69.2 | Low | 162 Ų | 162 | 122.7 Ų | 122.7 | 70% | 0.704 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -70.7 | -46 | -179.7 | -92.6 | -172.3 | 174.5 | -176.5 | 0 | 111.9 | V299 T300 A305 L306 Q307 | V299-K303 PolarHBondContact O-N 2.88Å; T300-K303 PolarHBondContact O-N 2.71Å; K303-A305 VanDerWaalsContact C-N 3.31Å; K303-L306 PolarHBondContact O-N 3.48Å; K303-L306 VanDerWaalsContact O-N 3.17Å; K303-Q307 PolarHBondContact O-N 3.39Å; K303-Q307 VanDerWaalsContact O-N 3.09Å |
| 304 | E | 76.4 | Confident | 71.8 | Confident | 130 Ų | 130 | 123.5 Ų | 123.5 | 61% | 0.607 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63.6 | -39.7 | 174.6 | -69.1 | 175 | 178.3 | 0 | 0 | 110.9 | T300 L306 Q307 Y308 | T300-E304 PolarHBondContact O-N 2.91Å; E304-L306 VanDerWaalsContact C-N 3.33Å; E304-L306 PolarHBondContact O-N 3.38Å; E304-Q307 PolarHBondContact O-N 3.03Å; E304-Y308 VanDerWaalsContact O-CB 3.32Å; E304-Y308 WeakPolarHBondContact O-CB 3.48Å; E304-Y308 PolarHBondContact O-N 3.39Å |
| 305 | A | 78.3 | Confident | 74.4 | Confident | 43 Ų | 43 | 115.9 Ų | 115.9 | 36% | 0.355 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61 | -39.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L301 K303 Y308 L309 | L301-A305 WeakPolarHBondContact O-CB 3.3Å; L301-A305 PolarHBondContact O-N 3.33Å; K303-A305 VanDerWaalsContact C-N 3.31Å; A305-Y308 PolarHBondContact O-N 3.32Å; A305-L309 VanDerWaalsContact O-CB 3.24Å; A305-L309 WeakPolarHBondContact O-CB 3.36Å; A305-L309 WeakPolarHBondContact O-CD1 3.28Å; A305-L309 WeakPolarHBondContact O-CG 3.37Å; A305-L309 PolarHBondContact O-N 2.99Å |
| 306 | L | 83 | Confident | 76.4 | Confident | 114 Ų | 114 | 115.5 Ų | 115.5 | 60% | 0.597 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.2 | -43.4 | 178 | -75.9 | 170.9 | 0 | 0 | 0 | 112.5 | K302 K303 E304 L309 E310 | K302-L306 VanDerWaalsContact O-CG 3.26Å; K302-L306 WeakPolarHBondContact O-CG 3.25Å; K302-L306 PolarHBondContact O-N 3.31Å; K303-L306 PolarHBondContact O-N 3.48Å; K303-L306 VanDerWaalsContact O-N 3.17Å; E304-L306 VanDerWaalsContact C-N 3.33Å; E304-L306 PolarHBondContact O-N 3.38Å; L306-L309 HydrophobicContact CD2-CD1 4.49Å; L306-L309 PolarHBondContact O-N 2.96Å; L306-E310 PolarHBondContact O-N 3.32Å |
| 307 | Q | 81.9 | Confident | 78.5 | Confident | 143 Ų | 143 | 109.2 Ų | 109.2 | 67% | 0.668 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.2 | -41.3 | 175.9 | -72.5 | 179.7 | -17 | 0 | 0 | 112 | K303 E304 L309 E310 H311 | K303-Q307 PolarHBondContact O-N 3.39Å; K303-Q307 VanDerWaalsContact O-N 3.09Å; E304-Q307 PolarHBondContact O-N 3.03Å; Q307-L309 VanDerWaalsContact C-N 3.34Å; Q307-E310 PolarHBondContact O-N 3.35Å; Q307-H311 PolarHBondContact O-N 3Å |
| 308 | Y | 84.5 | Confident | 80.4 | Confident | 163 Ų | 163 | 105.7 Ų | 105.7 | 64% | 0.639 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.5 | -42.2 | 173.4 | 179.3 | -102.6 | 0 | 0 | 0 | 111.5 | E304 A305 E310 H311 V312 | E304-Y308 VanDerWaalsContact O-CB 3.32Å; E304-Y308 WeakPolarHBondContact O-CB 3.48Å; E304-Y308 PolarHBondContact O-N 3.39Å; A305-Y308 PolarHBondContact O-N 3.32Å; Y308-E310 VanDerWaalsContact C-N 3.3Å; Y308-E310 PolarHBondContact O-N 3.41Å; Y308-H311 PolarHBondContact O-N 2.97Å; Y308-V312 HydrophobicContact CD1-CG2 4.04Å; Y308-V312 HydrophobicContact CD2-CG2 4.35Å; Y308-V312 HydrophobicContact CE1-CG2 3.65Å; Y308-V312 HydrophobicContact CE2-CG2 3.99Å; Y308-V312 HydrophobicContact CG-CG2 4.38Å; Y308-V312 WeakPolarHBondContact O-CB 3.45Å; Y308-V312 WeakPolarHBondContact O-CG2 3.29Å; Y308-V312 PolarHBondContact O-N 3.42Å |
| 309 | L | 85.8 | Confident | 82.1 | Confident | 104 Ų | 104 | 106 Ų | 106 | 55% | 0.545 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.6 | -36.8 | 175.9 | -76.3 | 168.6 | 0 | 0 | 0 | 112.1 | A305 L306 Q307 R313 | A305-L309 VanDerWaalsContact O-CB 3.24Å; A305-L309 WeakPolarHBondContact O-CB 3.36Å; A305-L309 WeakPolarHBondContact O-CD1 3.28Å; A305-L309 WeakPolarHBondContact O-CG 3.37Å; A305-L309 PolarHBondContact O-N 2.99Å; L306-L309 HydrophobicContact CD2-CD1 4.49Å; L306-L309 PolarHBondContact O-N 2.96Å; Q307-L309 VanDerWaalsContact C-N 3.34Å; L309-R313 WeakPolarHBondContact O-CB 3.35Å; L309-R313 PolarHBondContact O-N 3.43Å |
| 310 | E | 88.4 | Confident | 83.6 | Confident | 99 Ų | 99 | 106.4 Ų | 106.4 | 46% | 0.463 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.3 | -48.1 | 175.2 | -176.6 | 149.8 | -124.6 | 0 | 0 | 111.7 | L306 Q307 Y308 V312 R313 D314 | L306-E310 PolarHBondContact O-N 3.32Å; Q307-E310 PolarHBondContact O-N 3.35Å; Y308-E310 VanDerWaalsContact C-N 3.3Å; Y308-E310 PolarHBondContact O-N 3.41Å; E310-V312 VanDerWaalsContact C-N 3.32Å; E310-V312 PolarHBondContact O-N 3.07Å; E310-R313 WeakPolarHBondContact O-CA 3.36Å; E310-R313 WeakPolarHBondContact O-CB 3.34Å; E310-R313 PolarHBondContact O-N 3.24Å; E310-R313 IonicContact OE1-CZ 2.75Å; E310-R313 IonicContact OE1-NH2 2.81Å; E310-R313 PolarHBondContact OE1-NH2 2.93Å; E310-D314 PolarHBondContact O-N 3.19Å |
| 311 | H | 88.4 | Confident | 85.2 | Confident | 130 Ų | 130 | 105.8 Ų | 105.8 | 60% | 0.602 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.8 | -41.3 | 173.7 | -178.9 | -78.5 | 0 | 0 | 0 | 112.3 | Q307 Y308 R313 D314 S315 | Q307-H311 PolarHBondContact O-N 3Å; Y308-H311 PolarHBondContact O-N 2.97Å; H311-R313 VanDerWaalsContact C-N 3.3Å; H311-R313 PolarHBondContact O-N 3.49Å; H311-D314 PolarHBondContact O-N 2.93Å; H311-S315 VanDerWaalsContact O-CB 3.26Å; H311-S315 WeakPolarHBondContact O-CB 3.18Å; H311-S315 PolarHBondContact O-N 2.87Å |
| 312 | V | 89.2 | Confident | 86.5 | Confident | 37 Ų | 37 | 106.8 Ų | 106.8 | 22% | 0.224 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -64.8 | -36 | 175.4 | 169.5 | 0 | 0 | 0 | 0 | 111 | Y308 E310 K316 | Y308-V312 HydrophobicContact CD1-CG2 4.04Å; Y308-V312 HydrophobicContact CD2-CG2 4.35Å; Y308-V312 HydrophobicContact CE1-CG2 3.65Å; Y308-V312 HydrophobicContact CE2-CG2 3.99Å; Y308-V312 HydrophobicContact CG-CG2 4.38Å; Y308-V312 WeakPolarHBondContact O-CB 3.45Å; Y308-V312 WeakPolarHBondContact O-CG2 3.29Å; Y308-V312 PolarHBondContact O-N 3.42Å; E310-V312 VanDerWaalsContact C-N 3.32Å; E310-V312 PolarHBondContact O-N 3.07Å; V312-K316 HydrophobicContact CG1-CD 4.11Å; V312-K316 HydrophobicContact CG1-CG 4.48Å; V312-K316 VanDerWaalsContact O-CB 3.27Å; V312-K316 WeakPolarHBondContact O-CB 3.36Å; V312-K316 WeakPolarHBondContact O-CG 3.43Å; V312-K316 PolarHBondContact O-N 3.05Å |
| 313 | R | 89.6 | Confident | 87.2 | Confident | 121 Ų | 121 | 106.6 Ų | 106.6 | 46% | 0.457 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65 | -49.8 | 175 | -175.4 | -172.1 | 65.9 | -154.3 | -5.9 | 110.6 | L309 E310 H311 S315 K316 E317 | L309-R313 WeakPolarHBondContact O-CB 3.35Å; L309-R313 PolarHBondContact O-N 3.43Å; E310-R313 WeakPolarHBondContact O-CA 3.36Å; E310-R313 WeakPolarHBondContact O-CB 3.34Å; E310-R313 PolarHBondContact O-N 3.24Å; E310-R313 IonicContact OE1-CZ 2.75Å; E310-R313 IonicContact OE1-NH2 2.81Å; E310-R313 PolarHBondContact OE1-NH2 2.93Å; H311-R313 VanDerWaalsContact C-N 3.3Å; H311-R313 PolarHBondContact O-N 3.49Å; R313-S315 PolarHBondContact O-N 3.39Å; R313-K316 CarbonylContact O-C 3.51Å; R313-K316 WeakPolarHBondContact O-CB 3.47Å; R313-K316 PolarHBondContact O-N 2.91Å; R313-E317 WeakPolarHBondContact O-CG 3.3Å; R313-E317 PolarHBondContact O-N 2.92Å |
| 314 | D | 91.5 | Very high | 88.1 | Confident | 80 Ų | 80 | 104.2 Ų | 104.2 | 43% | 0.428 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.9 | -39.7 | -178.1 | -63.7 | -3.6 | 0 | 0 | 0 | 111.3 | E310 H311 E317 A318 | E310-D314 PolarHBondContact O-N 3.19Å; H311-D314 PolarHBondContact O-N 2.93Å; D314-E317 PolarHBondContact O-N 3.41Å; D314-A318 WeakPolarHBondContact O-CB 3.21Å; D314-A318 PolarHBondContact O-N 3.28Å |
| 315 | S | 90.5 | Very high | 88.9 | Confident | 51 Ų | 51 | 103.9 Ų | 103.9 | 36% | 0.357 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.5 | -42.2 | 172.4 | -169.6 | 0 | 0 | 0 | 0 | 111.8 | H311 R313 E317 A318 E319 | H311-S315 VanDerWaalsContact O-CB 3.26Å; H311-S315 WeakPolarHBondContact O-CB 3.18Å; H311-S315 PolarHBondContact O-N 2.87Å; R313-S315 PolarHBondContact O-N 3.39Å; S315-E317 VanDerWaalsContact C-N 3.34Å; S315-A318 PolarHBondContact O-N 3.01Å; S315-E319 WeakPolarHBondContact O-CB 3.37Å; S315-E319 WeakPolarHBondContact O-CG 3.38Å; S315-E319 PolarHBondContact O-N 2.92Å |
| 316 | K | 90.5 | Very high | 89.4 | Confident | 122 Ų | 122 | 106.1 Ų | 106.1 | 53% | 0.53 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.6 | -34.2 | 174.9 | -80.3 | 179.5 | 177.2 | -176.5 | 0 | 112.5 | V312 R313 K320 | V312-K316 HydrophobicContact CG1-CD 4.11Å; V312-K316 HydrophobicContact CG1-CG 4.48Å; V312-K316 VanDerWaalsContact O-CB 3.27Å; V312-K316 WeakPolarHBondContact O-CB 3.36Å; V312-K316 WeakPolarHBondContact O-CG 3.43Å; V312-K316 PolarHBondContact O-N 3.05Å; R313-K316 CarbonylContact O-C 3.51Å; R313-K316 WeakPolarHBondContact O-CB 3.47Å; R313-K316 PolarHBondContact O-N 2.91Å; K316-K320 WeakPolarHBondContact O-CB 3.38Å; K316-K320 WeakPolarHBondContact O-CG 3.32Å; K316-K320 PolarHBondContact O-N 3.29Å |
| 317 | E | 91.6 | Very high | 89.8 | Confident | 104 Ų | 104 | 103.7 Ų | 103.7 | 49% | 0.486 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.3 | -39.9 | 174.8 | -76.6 | -178.3 | -170.4 | 0 | 0 | 111.5 | R313 D314 S315 K320 N321 | R313-E317 WeakPolarHBondContact O-CG 3.3Å; R313-E317 PolarHBondContact O-N 2.92Å; D314-E317 PolarHBondContact O-N 3.41Å; S315-E317 VanDerWaalsContact C-N 3.34Å; E317-K320 PolarHBondContact O-N 3.46Å; E317-N321 WeakPolarHBondContact O-CB 3.42Å; E317-N321 VanDerWaalsContact O-CG 3.26Å; E317-N321 PolarHBondContact O-N 2.83Å; E317-N321 PolarHBondContact O-ND2 3.18Å |
| 318 | A | 91.7 | Very high | 90.4 | Very high | 60 Ų | 60 | 104.7 Ų | 104.7 | 50% | 0.496 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.6 | -46.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | D314 S315 K320 N321 F322 | D314-A318 WeakPolarHBondContact O-CB 3.21Å; D314-A318 PolarHBondContact O-N 3.28Å; S315-A318 PolarHBondContact O-N 3.01Å; A318-K320 PolarHBondContact O-N 3.45Å; A318-N321 PolarHBondContact O-N 3.38Å; A318-F322 PolarHBondContact O-N 3.02Å |
| 319 | E | 89 | Confident | 90.8 | Very high | 113 Ų | 113 | 99.9 Ų | 99.9 | 53% | 0.528 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.2 | -46.2 | 174 | -78.2 | 177.7 | 173.1 | 0 | 0 | 111.5 | S315 N321 F322 E323 | S315-E319 WeakPolarHBondContact O-CB 3.37Å; S315-E319 WeakPolarHBondContact O-CG 3.38Å; S315-E319 PolarHBondContact O-N 2.92Å; E319-N321 VanDerWaalsContact C-N 3.3Å; E319-N321 PolarHBondContact O-N 3.41Å; E319-F322 PolarHBondContact O-N 3.17Å; E319-E323 WeakPolarHBondContact O-CB 3.28Å; E319-E323 WeakPolarHBondContact O-CG 3.42Å; E319-E323 PolarHBondContact O-N 2.94Å |
| 320 | K | 92.2 | Very high | 91 | Very high | 120 Ų | 120 | 99 Ų | 99 | 52% | 0.522 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.5 | -37.6 | 176.1 | -79.8 | 174.9 | -179 | -179.3 | 0 | 113 | K316 E317 A318 K324 | K316-K320 WeakPolarHBondContact O-CB 3.38Å; K316-K320 WeakPolarHBondContact O-CG 3.32Å; K316-K320 PolarHBondContact O-N 3.29Å; E317-K320 PolarHBondContact O-N 3.46Å; A318-K320 PolarHBondContact O-N 3.45Å; K320-K324 WeakPolarHBondContact O-CB 3.36Å; K320-K324 WeakPolarHBondContact O-CG 3.36Å; K320-K324 PolarHBondContact O-N 3.28Å |
| 321 | N | 93.4 | Very high | 91.2 | Very high | 87 Ų | 87 | 99 Ų | 99 | 47% | 0.465 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -70.5 | -41.2 | 177.6 | -71.4 | -23.3 | 0 | 0 | 0 | 111 | E317 A318 E319 K324 E325 | E317-N321 WeakPolarHBondContact O-CB 3.42Å; E317-N321 VanDerWaalsContact O-CG 3.26Å; E317-N321 PolarHBondContact O-N 2.83Å; E317-N321 PolarHBondContact O-ND2 3.18Å; A318-N321 PolarHBondContact O-N 3.38Å; E319-N321 VanDerWaalsContact C-N 3.3Å; E319-N321 PolarHBondContact O-N 3.41Å; N321-K324 PolarHBondContact O-N 2.85Å; N321-E325 WeakPolarHBondContact O-CG 3.45Å; N321-E325 PolarHBondContact O-N 2.93Å |
| 322 | F | 90.5 | Very high | 91.5 | Very high | 134 Ų | 134 | 98.2 Ų | 98.2 | 59% | 0.588 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.1 | -44.1 | 173.7 | -174.3 | -99.9 | 0 | 0 | 0 | 112.3 | A318 E319 K324 E325 M326 | A318-F322 PolarHBondContact O-N 3.02Å; E319-F322 PolarHBondContact O-N 3.17Å; F322-K324 VanDerWaalsContact C-N 3.33Å; F322-K324 PolarHBondContact O-N 2.96Å; F322-E325 PolarHBondContact O-N 3.38Å; F322-M326 HydrophobicContact CD1-CG 4.14Å; F322-M326 HydrophobicContact CE1-CG 3.77Å; F322-M326 HydrophobicContact CZ-CG 3.99Å; F322-M326 HydrophobicContact CZ-SD 4.29Å; F322-M326 WeakPolarHBondContact O-CB 3.34Å; F322-M326 WeakPolarHBondContact O-CG 3.49Å; F322-M326 PolarHBondContact O-N 3.29Å |
| 323 | E | 90.1 | Very high | 91.6 | Very high | 121 Ų | 121 | 100 Ų | 100 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.2 | -44.3 | 173.3 | -77 | -179.5 | 170.7 | 0 | 0 | 111.3 | E319 M326 S327 | E319-E323 WeakPolarHBondContact O-CB 3.28Å; E319-E323 WeakPolarHBondContact O-CG 3.42Å; E319-E323 PolarHBondContact O-N 2.94Å; E323-M326 PolarHBondContact O-N 3.05Å; E323-S327 WeakPolarHBondContact O-CB 3.43Å; E323-S327 PolarHBondContact O-N 3.41Å; E323-S327 PolarHBondContact O-OG 2.93Å |
| 324 | K | 93.4 | Very high | 91.7 | Very high | 113 Ų | 113 | 97.9 Ų | 97.9 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | 176.6 | -75.6 | 169.2 | -173.7 | 172.2 | 0 | 112.6 | K320 N321 F322 S327 R328 | K320-K324 WeakPolarHBondContact O-CB 3.36Å; K320-K324 WeakPolarHBondContact O-CG 3.36Å; K320-K324 PolarHBondContact O-N 3.28Å; N321-K324 PolarHBondContact O-N 2.85Å; F322-K324 VanDerWaalsContact C-N 3.33Å; F322-K324 PolarHBondContact O-N 2.96Å; K324-S327 PolarHBondContact O-N 3.48Å; K324-R328 VanDerWaalsContact O-CG 3.29Å; K324-R328 WeakPolarHBondContact O-CG 3.37Å; K324-R328 PolarHBondContact O-N 3.14Å |
| 325 | E | 92.8 | Very high | 91.8 | Very high | 122 Ų | 122 | 96 Ų | 96 | 57% | 0.57 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66 | -42.2 | 176.6 | -74 | 177.6 | 179 | 0 | 0 | 111.7 | N321 F322 R328 S329 | N321-E325 WeakPolarHBondContact O-CG 3.45Å; N321-E325 PolarHBondContact O-N 2.93Å; F322-E325 PolarHBondContact O-N 3.38Å; E325-R328 PolarHBondContact O-N 3.42Å; E325-S329 PolarHBondContact O-N 2.89Å |
| 326 | M | 89.9 | Confident | 91.9 | Very high | 90 Ų | 90 | 99.8 Ų | 99.8 | 44% | 0.443 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 173.3 | -76.5 | -64 | -62 | 0 | 0 | 111.7 | F322 E323 R328 S329 I330 | F322-M326 HydrophobicContact CD1-CG 4.14Å; F322-M326 HydrophobicContact CE1-CG 3.77Å; F322-M326 HydrophobicContact CZ-CG 3.99Å; F322-M326 HydrophobicContact CZ-SD 4.29Å; F322-M326 WeakPolarHBondContact O-CB 3.34Å; F322-M326 WeakPolarHBondContact O-CG 3.49Å; F322-M326 PolarHBondContact O-N 3.29Å; E323-M326 PolarHBondContact O-N 3.05Å; M326-R328 PolarHBondContact O-N 3.1Å; M326-S329 PolarHBondContact O-N 3.06Å; M326-I330 WeakPolarHBondContact O-CB 3.29Å; M326-I330 WeakPolarHBondContact O-CD1 3.39Å; M326-I330 VanDerWaalsContact O-CG1 3.23Å; M326-I330 WeakPolarHBondContact O-CG1 3.44Å; M326-I330 PolarHBondContact O-N 3.42Å |
| 327 | S | 90.7 | Very high | 92 | Very high | 63 Ų | 63 | 98.4 Ų | 98.4 | 44% | 0.441 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.5 | -44.6 | 175.1 | -64.1 | 0 | 0 | 0 | 0 | 111.6 | E323 K324 S329 I330 D331 | E323-S327 WeakPolarHBondContact O-CB 3.43Å; E323-S327 PolarHBondContact O-N 3.41Å; E323-S327 PolarHBondContact O-OG 2.93Å; K324-S327 PolarHBondContact O-N 3.48Å; S327-S329 PolarHBondContact O-N 3.49Å; S327-I330 PolarHBondContact O-N 3.33Å; S327-D331 WeakPolarHBondContact O-CB 3.47Å; S327-D331 PolarHBondContact O-N 2.99Å |
| 328 | R | 93.7 | Very high | 92.1 | Very high | 164 Ų | 164 | 99.3 Ų | 99.3 | 62% | 0.619 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.2 | -44.7 | 175.6 | -73.9 | 173.3 | -173 | 171 | 2.1 | 112.2 | K324 E325 M326 I330 D331 E332 | K324-R328 VanDerWaalsContact O-CG 3.29Å; K324-R328 WeakPolarHBondContact O-CG 3.37Å; K324-R328 PolarHBondContact O-N 3.14Å; E325-R328 PolarHBondContact O-N 3.42Å; M326-R328 PolarHBondContact O-N 3.1Å; R328-I330 PolarHBondContact O-N 3.19Å; R328-D331 PolarHBondContact O-N 2.66Å; R328-E332 WeakPolarHBondContact O-CB 3.35Å; R328-E332 WeakPolarHBondContact O-CG 3.39Å; R328-E332 PolarHBondContact O-N 3.31Å |
| 329 | S | 92.9 | Very high | 92.2 | Very high | 62 Ų | 62 | 101.7 Ų | 101.7 | 43% | 0.434 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 177.6 | -175.8 | 0 | 0 | 0 | 0 | 112 | E325 M326 S327 E332 C333 | E325-S329 PolarHBondContact O-N 2.89Å; M326-S329 PolarHBondContact O-N 3.06Å; S327-S329 PolarHBondContact O-N 3.49Å; S329-E332 PolarHBondContact O-N 2.91Å; S329-C333 WeakPolarHBondContact O-CB 3.25Å; S329-C333 PolarHBondContact O-N 3.49Å; S329-C333 PolarHBondContact O-SG 3.46Å |
| 330 | I | 90.8 | Very high | 92.4 | Very high | 85 Ų | 85 | 100.8 Ų | 100.8 | 44% | 0.436 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.2 | -48 | 175 | -69.3 | 164.8 | 0 | 0 | 0 | 110.5 | M326 S327 R328 E332 C333 I334 | M326-I330 WeakPolarHBondContact O-CB 3.29Å; M326-I330 WeakPolarHBondContact O-CD1 3.39Å; M326-I330 VanDerWaalsContact O-CG1 3.23Å; M326-I330 WeakPolarHBondContact O-CG1 3.44Å; M326-I330 PolarHBondContact O-N 3.42Å; S327-I330 PolarHBondContact O-N 3.33Å; R328-I330 PolarHBondContact O-N 3.19Å; I330-E332 VanDerWaalsContact C-N 3.34Å; I330-E332 PolarHBondContact O-N 2.97Å; I330-C333 WeakPolarHBondContact O-CB 3.39Å; I330-C333 PolarHBondContact O-N 2.89Å; I330-C333 VanDerWaalsContact O-N 3.16Å; I330-I334 HydrophobicContact CG2-CD1 3.71Å; I330-I334 HydrophobicContact CG2-CG1 4.38Å; I330-I334 VanDerWaalsContact O-CG1 3.3Å; I330-I334 WeakPolarHBondContact O-CG1 3.38Å; I330-I334 PolarHBondContact O-N 2.93Å |
| 331 | D | 92.3 | Very high | 92.4 | Very high | 101 Ų | 101 | 98.8 Ų | 98.8 | 54% | 0.54 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 179.4 | -71 | -22 | 0 | 0 | 0 | 111.6 | S327 R328 I334 A335 | S327-D331 WeakPolarHBondContact O-CB 3.47Å; S327-D331 PolarHBondContact O-N 2.99Å; R328-D331 PolarHBondContact O-N 2.66Å; D331-I334 PolarHBondContact O-N 3.32Å; D331-A335 VanDerWaalsContact O-CB 3.32Å; D331-A335 WeakPolarHBondContact O-CB 3.38Å; D331-A335 PolarHBondContact O-N 2.98Å |
| 332 | E | 94.4 | Very high | 92.4 | Very high | 112 Ų | 112 | 100.4 Ų | 100.4 | 52% | 0.523 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63 | -41 | 173.2 | -78.2 | -177.9 | -160.4 | 0 | 0 | 112.5 | R328 S329 I330 A335 K336 | R328-E332 WeakPolarHBondContact O-CB 3.35Å; R328-E332 WeakPolarHBondContact O-CG 3.39Å; R328-E332 PolarHBondContact O-N 3.31Å; S329-E332 PolarHBondContact O-N 2.91Å; I330-E332 VanDerWaalsContact C-N 3.34Å; I330-E332 PolarHBondContact O-N 2.97Å; E332-A335 PolarHBondContact O-N 3.34Å; E332-K336 WeakPolarHBondContact O-CB 3.39Å; E332-K336 VanDerWaalsContact O-CG 3.29Å; E332-K336 WeakPolarHBondContact O-CG 3.36Å; E332-K336 PolarHBondContact O-N 3.44Å |
| 333 | C | 91.6 | Very high | 92.5 | Very high | 74 Ų | 74 | 99.2 Ų | 99.2 | 50% | 0.5 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.1 | -42.7 | 175.9 | -70.4 | 0 | 0 | 0 | 0 | 111.4 | S329 I330 K336 Q337 | S329-C333 WeakPolarHBondContact O-CB 3.25Å; S329-C333 PolarHBondContact O-N 3.49Å; S329-C333 PolarHBondContact O-SG 3.46Å; I330-C333 WeakPolarHBondContact O-CB 3.39Å; I330-C333 PolarHBondContact O-N 2.89Å; I330-C333 VanDerWaalsContact O-N 3.16Å; C333-K336 PolarHBondContact O-N 3.27Å; C333-Q337 WeakPolarHBondContact O-CB 3.34Å; C333-Q337 PolarHBondContact O-N 3.45Å |
| 334 | I | 92.1 | Very high | 92.7 | Very high | 78 Ų | 78 | 99.4 Ų | 99.4 | 40% | 0.4 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.4 | -46.5 | 175.5 | -68.6 | 168.6 | 0 | 0 | 0 | 110.1 | I330 D331 K336 Q337 Q338 | I330-I334 HydrophobicContact CG2-CD1 3.71Å; I330-I334 HydrophobicContact CG2-CG1 4.38Å; I330-I334 VanDerWaalsContact O-CG1 3.3Å; I330-I334 WeakPolarHBondContact O-CG1 3.38Å; I330-I334 PolarHBondContact O-N 2.93Å; D331-I334 PolarHBondContact O-N 3.32Å; I334-K336 PolarHBondContact O-N 2.84Å; I334-Q337 PolarHBondContact O-N 3.36Å; I334-Q338 HydrophobicContact CG2-CG 4.28Å; I334-Q338 WeakPolarHBondContact O-CB 3.27Å; I334-Q338 VanDerWaalsContact O-CG 3.27Å; I334-Q338 WeakPolarHBondContact O-CG 3.42Å; I334-Q338 PolarHBondContact O-N 2.99Å |
| 335 | A | 92.9 | Very high | 92.7 | Very high | 40 Ų | 40 | 100.7 Ų | 100.7 | 33% | 0.331 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | D331 E332 Q338 N339 | D331-A335 VanDerWaalsContact O-CB 3.32Å; D331-A335 WeakPolarHBondContact O-CB 3.38Å; D331-A335 PolarHBondContact O-N 2.98Å; E332-A335 PolarHBondContact O-N 3.34Å; A335-Q338 PolarHBondContact O-N 3.49Å; A335-N339 WeakPolarHBondContact O-CB 3.36Å; A335-N339 VanDerWaalsContact O-CG 3.24Å; A335-N339 PolarHBondContact O-N 2.98Å; A335-N339 PolarHBondContact O-ND2 3.24Å |
| 336 | K | 93.3 | Very high | 92.8 | Very high | 130 Ų | 130 | 99.4 Ų | 99.4 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.1 | -44.6 | 174.5 | -75.2 | 171.8 | -173.6 | 166.4 | 0 | 111.6 | E332 C333 I334 N339 L340 | E332-K336 WeakPolarHBondContact O-CB 3.39Å; E332-K336 VanDerWaalsContact O-CG 3.29Å; E332-K336 WeakPolarHBondContact O-CG 3.36Å; E332-K336 PolarHBondContact O-N 3.44Å; C333-K336 PolarHBondContact O-N 3.27Å; I334-K336 PolarHBondContact O-N 2.84Å; K336-N339 PolarHBondContact O-N 3.35Å; K336-L340 WeakPolarHBondContact O-CG 3.47Å; K336-L340 PolarHBondContact O-N 2.93Å |
| 337 | Q | 92.8 | Very high | 93 | Very high | 94 Ų | 94 | 100.2 Ų | 100.2 | 44% | 0.439 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.5 | -44.3 | 178 | -175.9 | 58.4 | 36.1 | 0 | 0 | 111.7 | C333 I334 N339 L340 D341 | C333-Q337 WeakPolarHBondContact O-CB 3.34Å; C333-Q337 PolarHBondContact O-N 3.45Å; I334-Q337 PolarHBondContact O-N 3.36Å; Q337-N339 VanDerWaalsContact C-N 3.34Å; Q337-N339 PolarHBondContact O-N 2.95Å; Q337-L340 PolarHBondContact O-N 3.35Å; Q337-D341 PolarHBondContact NE2-OD1 2.89Å; Q337-D341 PolarHBondContact NE2-OD2 3.22Å; Q337-D341 PolarHBondContact O-N 2.88Å |
| 338 | Q | 92.8 | Very high | 93.1 | Very high | 122 Ų | 122 | 103.9 Ų | 103.9 | 57% | 0.57 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.3 | -41.2 | 175.8 | -73.8 | 176.5 | -2.4 | 0 | 0 | 112.1 | I334 A335 D341 H342 | I334-Q338 HydrophobicContact CG2-CG 4.28Å; I334-Q338 WeakPolarHBondContact O-CB 3.27Å; I334-Q338 VanDerWaalsContact O-CG 3.27Å; I334-Q338 WeakPolarHBondContact O-CG 3.42Å; I334-Q338 PolarHBondContact O-N 2.99Å; A335-Q338 PolarHBondContact O-N 3.49Å; Q338-D341 PolarHBondContact O-N 3.44Å; Q338-H342 VanDerWaalsContact O-CB 3.25Å; Q338-H342 WeakPolarHBondContact O-CB 3.38Å; Q338-H342 PolarHBondContact O-N 3.07Å |
| 339 | N | 94 | Very high | 93 | Very high | 111 Ų | 111 | 99.4 Ų | 99.4 | 59% | 0.594 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.6 | -41.2 | 176.2 | -75.2 | -24.1 | 0 | 0 | 0 | 112.2 | A335 K336 Q337 H342 H343 | A335-N339 WeakPolarHBondContact O-CB 3.36Å; A335-N339 VanDerWaalsContact O-CG 3.24Å; A335-N339 PolarHBondContact O-N 2.98Å; A335-N339 PolarHBondContact O-ND2 3.24Å; K336-N339 PolarHBondContact O-N 3.35Å; Q337-N339 VanDerWaalsContact C-N 3.34Å; Q337-N339 PolarHBondContact O-N 2.95Å; N339-H342 PolarHBondContact O-N 3.46Å; N339-H343 WeakPolarHBondContact O-CB 3.42Å; N339-H343 PolarHBondContact O-N 3.45Å |
| 340 | L | 94.1 | Very high | 93.2 | Very high | 94 Ų | 94 | 100.8 Ų | 100.8 | 49% | 0.492 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 174.7 | -75.5 | 169.2 | 0 | 0 | 0 | 111.8 | K336 Q337 H342 H343 K344 | K336-L340 WeakPolarHBondContact O-CG 3.47Å; K336-L340 PolarHBondContact O-N 2.93Å; Q337-L340 PolarHBondContact O-N 3.35Å; L340-H342 VanDerWaalsContact C-N 3.34Å; L340-H343 PolarHBondContact O-N 3.49Å; L340-K344 WeakPolarHBondContact O-CG 3.3Å; L340-K344 PolarHBondContact O-N 3.47Å |
| 341 | D | 92.2 | Very high | 93.3 | Very high | 77 Ų | 77 | 99.5 Ų | 99.5 | 41% | 0.412 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.9 | -37.8 | 178.8 | -69.7 | -24.8 | 0 | 0 | 0 | 111.4 | Q337 Q338 K345 | Q337-D341 PolarHBondContact NE2-OD1 2.89Å; Q337-D341 PolarHBondContact NE2-OD2 3.22Å; Q337-D341 PolarHBondContact O-N 2.88Å; Q338-D341 PolarHBondContact O-N 3.44Å; D341-K345 VanDerWaalsContact O-CB 3.29Å; D341-K345 WeakPolarHBondContact O-CB 3.49Å; D341-K345 PolarHBondContact O-N 3.38Å |
| 342 | H | 92.4 | Very high | 93.4 | Very high | 121 Ų | 121 | 101.7 Ų | 101.7 | 56% | 0.56 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.1 | -44.6 | 172.4 | -171.2 | 75.1 | 0 | 0 | 0 | 111.8 | Q338 N339 L340 K345 M346 | Q338-H342 VanDerWaalsContact O-CB 3.25Å; Q338-H342 WeakPolarHBondContact O-CB 3.38Å; Q338-H342 PolarHBondContact O-N 3.07Å; N339-H342 PolarHBondContact O-N 3.46Å; L340-H342 VanDerWaalsContact C-N 3.34Å; H342-K345 PolarHBondContact O-N 3.02Å; H342-M346 WeakPolarHBondContact O-CB 3.38Å; H342-M346 PolarHBondContact O-N 2.92Å |
| 343 | H | 93.5 | Very high | 93.4 | Very high | 109 Ų | 109 | 99.9 Ų | 99.9 | 51% | 0.505 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 177.3 | -171.4 | 66.7 | 0 | 0 | 0 | 112 | N339 L340 K345 M346 Q347 | N339-H343 WeakPolarHBondContact O-CB 3.42Å; N339-H343 PolarHBondContact O-N 3.45Å; L340-H343 PolarHBondContact O-N 3.49Å; H343-K345 VanDerWaalsContact C-N 3.33Å; H343-K345 PolarHBondContact O-N 3.15Å; H343-M346 PolarHBondContact O-N 3.02Å; H343-Q347 PolarHBondContact CD2-NE2 3.17Å; H343-Q347 PolarHBondContact NE2-NE2 3.41Å; H343-Q347 WeakPolarHBondContact O-CG 3.47Å; H343-Q347 PolarHBondContact O-N 3.01Å |
| 344 | K | 93.8 | Very high | 93.6 | Very high | 126 Ų | 126 | 100.5 Ų | 100.5 | 55% | 0.548 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.3 | -43.6 | 174.5 | -73.7 | 174.3 | -177.8 | 172.9 | 0 | 111.9 | L340 M346 Q347 F348 | L340-K344 WeakPolarHBondContact O-CG 3.3Å; L340-K344 PolarHBondContact O-N 3.47Å; K344-M346 VanDerWaalsContact C-N 3.34Å; K344-M346 PolarHBondContact O-N 3.33Å; K344-Q347 PolarHBondContact O-N 3.15Å; K344-F348 WeakPolarHBondContact O-CB 3.48Å; K344-F348 PolarHBondContact O-N 3.16Å |
| 345 | K | 94.1 | Very high | 93.7 | Very high | 139 Ų | 139 | 101.9 Ų | 101.9 | 60% | 0.604 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.4 | -41.9 | 176.8 | -173.2 | 177.6 | -179.3 | -179.7 | 0 | 111.4 | D341 H342 H343 F348 L349 | D341-K345 VanDerWaalsContact O-CB 3.29Å; D341-K345 WeakPolarHBondContact O-CB 3.49Å; D341-K345 PolarHBondContact O-N 3.38Å; H342-K345 PolarHBondContact O-N 3.02Å; H343-K345 VanDerWaalsContact C-N 3.33Å; H343-K345 PolarHBondContact O-N 3.15Å; K345-F348 PolarHBondContact O-N 2.99Å; K345-L349 HydrophobicContact CG-CD1 4.48Å; K345-L349 WeakPolarHBondContact O-CG 3.46Å; K345-L349 PolarHBondContact O-N 3.34Å |
| 346 | M | 94.3 | Very high | 93.8 | Very high | 95 Ų | 95 | 105 Ų | 105 | 47% | 0.468 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.9 | -45.6 | 176.8 | -171.1 | 62.5 | 106.7 | 0 | 0 | 111.6 | H342 H343 K344 F348 L349 I350 | H342-M346 WeakPolarHBondContact O-CB 3.38Å; H342-M346 PolarHBondContact O-N 2.92Å; H343-M346 PolarHBondContact O-N 3.02Å; K344-M346 VanDerWaalsContact C-N 3.34Å; K344-M346 PolarHBondContact O-N 3.33Å; M346-F348 VanDerWaalsContact C-N 3.31Å; M346-F348 PolarHBondContact O-N 2.9Å; M346-L349 PolarHBondContact O-N 3.48Å; M346-I350 HydrophobicContact CG-CD1 4.1Å; M346-I350 WeakPolarHBondContact O-CG1 3.49Å; M346-I350 PolarHBondContact O-N 3.47Å |
| 347 | Q | 93.9 | Very high | 93.8 | Very high | 108 Ų | 108 | 102 Ų | 102 | 51% | 0.505 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.1 | -43.4 | 174.5 | -72.5 | -175.1 | -4.9 | 0 | 0 | 112 | H343 K344 L349 I350 A351 | H343-Q347 PolarHBondContact CD2-NE2 3.17Å; H343-Q347 PolarHBondContact NE2-NE2 3.41Å; H343-Q347 WeakPolarHBondContact O-CG 3.47Å; H343-Q347 PolarHBondContact O-N 3.01Å; K344-Q347 PolarHBondContact O-N 3.15Å; Q347-L349 PolarHBondContact O-N 3.4Å; Q347-I350 PolarHBondContact O-N 3.48Å; Q347-A351 WeakPolarHBondContact O-CB 3.32Å; Q347-A351 PolarHBondContact O-N 2.81Å |
| 348 | F | 92.6 | Very high | 93.9 | Very high | 140 Ų | 140 | 101.8 Ų | 101.8 | 61% | 0.614 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.1 | -40.7 | 176.6 | -177.2 | -95.9 | 0 | 0 | 0 | 112.3 | K344 K345 M346 A351 R352 | K344-F348 WeakPolarHBondContact O-CB 3.48Å; K344-F348 PolarHBondContact O-N 3.16Å; K345-F348 PolarHBondContact O-N 2.99Å; M346-F348 VanDerWaalsContact C-N 3.31Å; M346-F348 PolarHBondContact O-N 2.9Å; F348-A351 PolarHBondContact O-N 2.95Å; F348-R352 VanDerWaalsContact O-CB 3.3Å; F348-R352 WeakPolarHBondContact O-CB 3.37Å; F348-R352 PolarHBondContact O-N 2.83Å |
| 349 | L | 93.3 | Very high | 94 | Very high | 69 Ų | 69 | 100 Ų | 100 | 36% | 0.361 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 176 | -72.9 | 172.5 | 0 | 0 | 0 | 112 | K345 M346 Q347 R352 E353 | K345-L349 HydrophobicContact CG-CD1 4.48Å; K345-L349 WeakPolarHBondContact O-CG 3.46Å; K345-L349 PolarHBondContact O-N 3.34Å; M346-L349 PolarHBondContact O-N 3.48Å; Q347-L349 PolarHBondContact O-N 3.4Å; L349-R352 PolarHBondContact O-N 2.94Å; L349-E353 PolarHBondContact O-N 2.9Å |
| 350 | I | 95.6 | Very high | 94 | Very high | 92 Ų | 92 | 98 Ų | 98 | 47% | 0.472 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.8 | -47.6 | 175.9 | -67 | 166.7 | 0 | 0 | 0 | 110.4 | M346 Q347 R352 E353 N354 | M346-I350 HydrophobicContact CG-CD1 4.1Å; M346-I350 WeakPolarHBondContact O-CG1 3.49Å; M346-I350 PolarHBondContact O-N 3.47Å; Q347-I350 PolarHBondContact O-N 3.48Å; I350-R352 VanDerWaalsContact C-N 3.3Å; I350-R352 PolarHBondContact O-N 3.5Å; I350-E353 PolarHBondContact O-N 3.46Å; I350-N354 WeakPolarHBondContact O-CB 3.37Å; I350-N354 VanDerWaalsContact O-CG 3.26Å; I350-N354 PolarHBondContact O-N 3.1Å |
| 351 | A | 94.2 | Very high | 94 | Very high | 57 Ų | 57 | 98.5 Ų | 98.5 | 47% | 0.471 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.5 | -40 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q347 F348 N354 L355 | Q347-A351 WeakPolarHBondContact O-CB 3.32Å; Q347-A351 PolarHBondContact O-N 2.81Å; F348-A351 PolarHBondContact O-N 2.95Å; A351-N354 PolarHBondContact O-N 3.48Å; A351-L355 WeakPolarHBondContact O-CB 3.41Å; A351-L355 PolarHBondContact O-N 3.35Å |
| 352 | R | 93.6 | Very high | 94.1 | Very high | 148 Ų | 148 | 97.5 Ų | 97.5 | 56% | 0.558 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66.3 | -40.9 | 176.3 | -168.7 | -178.1 | 74.4 | 172.1 | 4 | 112.1 | F348 L349 I350 K356 | F348-R352 VanDerWaalsContact O-CB 3.3Å; F348-R352 WeakPolarHBondContact O-CB 3.37Å; F348-R352 PolarHBondContact O-N 2.83Å; L349-R352 PolarHBondContact O-N 2.94Å; I350-R352 VanDerWaalsContact C-N 3.3Å; I350-R352 PolarHBondContact O-N 3.5Å; R352-K356 VanDerWaalsContact O-CB 3.3Å; R352-K356 WeakPolarHBondContact O-CB 3.41Å; R352-K356 PolarHBondContact O-N 3.28Å |
| 353 | E | 93.9 | Very high | 94.1 | Very high | 74 Ų | 74 | 94.4 Ų | 94.4 | 35% | 0.346 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.8 | -40.3 | 177.3 | -166.7 | 62.2 | -156 | 0 | 0 | 111.4 | L349 I350 K356 N357 | L349-E353 PolarHBondContact O-N 2.9Å; I350-E353 PolarHBondContact O-N 3.46Å; E353-K356 PolarHBondContact O-N 3.28Å; E353-K356 IonicContact OE1-NZ 3.51Å; E353-K356 PolarHBondContact OE1-NZ 3.03Å; E353-K356 IonicContact OE2-NZ 2.83Å; E353-K356 PolarHBondContact OE2-NZ 3.37Å; E353-N357 WeakPolarHBondContact O-CB 3.32Å; E353-N357 VanDerWaalsContact O-CG 3.22Å; E353-N357 PolarHBondContact O-N 3.03Å; E353-N357 PolarHBondContact O-ND2 2.89Å |
| 354 | N | 95.8 | Very high | 94.1 | Very high | 86 Ų | 86 | 97.6 Ų | 97.6 | 46% | 0.46 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60 | -49.1 | 173.2 | -70 | -9.7 | 0 | 0 | 0 | 111.2 | I350 A351 K356 N357 D358 | I350-N354 WeakPolarHBondContact O-CB 3.37Å; I350-N354 VanDerWaalsContact O-CG 3.26Å; I350-N354 PolarHBondContact O-N 3.1Å; A351-N354 PolarHBondContact O-N 3.48Å; N354-K356 VanDerWaalsContact C-N 3.31Å; N354-K356 PolarHBondContact O-N 2.9Å; N354-N357 WeakPolarHBondContact O-CB 3.41Å; N354-N357 PolarHBondContact O-N 2.89Å; N354-N357 VanDerWaalsContact O-N 3.07Å; N354-D358 VanDerWaalsContact O-CG 3.29Å; N354-D358 PolarHBondContact O-N 2.96Å |
| 355 | L | 95.2 | Very high | 94.1 | Very high | 108 Ų | 108 | 98.9 Ų | 98.9 | 57% | 0.565 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -59.6 | -41.7 | 177 | -179.3 | 63.7 | 0 | 0 | 0 | 112.1 | A351 N357 D358 V359 | A351-L355 WeakPolarHBondContact O-CB 3.41Å; A351-L355 PolarHBondContact O-N 3.35Å; L355-N357 VanDerWaalsContact C-N 3.33Å; L355-D358 PolarHBondContact O-N 2.77Å; L355-V359 HydrophobicContact CD1-CG2 4.47Å; L355-V359 WeakPolarHBondContact O-CB 3.29Å; L355-V359 VanDerWaalsContact O-CG2 3.25Å; L355-V359 WeakPolarHBondContact O-CG2 3.44Å; L355-V359 PolarHBondContact O-N 3.48Å |
| 356 | K | 93.7 | Very high | 94.1 | Very high | 104 Ų | 104 | 97.4 Ų | 97.4 | 45% | 0.452 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 175.2 | 175.1 | -174.6 | 158.3 | -139.7 | 0 | 111.4 | R352 E353 N354 N360 | R352-K356 VanDerWaalsContact O-CB 3.3Å; R352-K356 WeakPolarHBondContact O-CB 3.41Å; R352-K356 PolarHBondContact O-N 3.28Å; E353-K356 PolarHBondContact O-N 3.28Å; E353-K356 IonicContact OE1-NZ 3.51Å; E353-K356 PolarHBondContact OE1-NZ 3.03Å; E353-K356 IonicContact OE2-NZ 2.83Å; E353-K356 PolarHBondContact OE2-NZ 3.37Å; N354-K356 VanDerWaalsContact C-N 3.31Å; N354-K356 PolarHBondContact O-N 2.9Å; K356-N360 WeakPolarHBondContact O-CB 3.3Å; K356-N360 PolarHBondContact O-N 3.11Å; K356-N360 PolarHBondContact O-ND2 3.02Å; K356-N360 VanDerWaalsContact O-ND2 3.11Å |
| 357 | N | 94.9 | Very high | 94 | Very high | 67 Ų | 67 | 96.7 Ų | 96.7 | 36% | 0.358 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.7 | -45.3 | 175.5 | -70.4 | -23.9 | 0 | 0 | 0 | 111.3 | E353 N354 L355 V359 N360 E361 | E353-N357 WeakPolarHBondContact O-CB 3.32Å; E353-N357 VanDerWaalsContact O-CG 3.22Å; E353-N357 PolarHBondContact O-N 3.03Å; E353-N357 PolarHBondContact O-ND2 2.89Å; N354-N357 WeakPolarHBondContact O-CB 3.41Å; N354-N357 PolarHBondContact O-N 2.89Å; N354-N357 VanDerWaalsContact O-N 3.07Å; L355-N357 VanDerWaalsContact C-N 3.33Å; N357-V359 PolarHBondContact O-N 3.39Å; N357-N360 WeakPolarHBondContact O-CB 3.39Å; N357-N360 PolarHBondContact O-N 3.13Å; N357-N360 VanDerWaalsContact O-N 3.16Å; N357-E361 WeakPolarHBondContact O-CG 3.25Å; N357-E361 PolarHBondContact O-N 3.48Å |
| 358 | D | 93.9 | Very high | 94 | Very high | 90 Ų | 90 | 97.6 Ų | 97.6 | 48% | 0.481 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.3 | -45.9 | 176.6 | -65.5 | -19.6 | 0 | 0 | 0 | 111.5 | N354 L355 N360 E361 V362 | N354-D358 VanDerWaalsContact O-CG 3.29Å; N354-D358 PolarHBondContact O-N 2.96Å; L355-D358 PolarHBondContact O-N 2.77Å; D358-N360 VanDerWaalsContact C-N 3.34Å; D358-N360 PolarHBondContact O-N 3.46Å; D358-E361 PolarHBondContact O-N 3.29Å; D358-V362 WeakPolarHBondContact O-CG2 3.49Å; D358-V362 PolarHBondContact O-N 3.47Å |
| 359 | V | 94.4 | Very high | 94.1 | Very high | 86 Ų | 86 | 95.9 Ų | 95.9 | 52% | 0.521 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.8 | -43 | 176.2 | 170.4 | 0 | 0 | 0 | 0 | 111 | L355 N357 E361 V362 C363 | L355-V359 HydrophobicContact CD1-CG2 4.47Å; L355-V359 WeakPolarHBondContact O-CB 3.29Å; L355-V359 VanDerWaalsContact O-CG2 3.25Å; L355-V359 WeakPolarHBondContact O-CG2 3.44Å; L355-V359 PolarHBondContact O-N 3.48Å; N357-V359 PolarHBondContact O-N 3.39Å; V359-E361 VanDerWaalsContact C-N 3.35Å; V359-E361 PolarHBondContact O-N 3.47Å; V359-V362 PolarHBondContact O-N 2.96Å; V359-C363 VanDerWaalsContact O-CB 3.27Å; V359-C363 WeakPolarHBondContact O-CB 3.48Å; V359-C363 PolarHBondContact O-N 3.05Å |
| 360 | N | 94.2 | Very high | 94.2 | Very high | 69 Ų | 69 | 100 Ų | 100 | 37% | 0.369 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 176.4 | -74.5 | -29.5 | 0 | 0 | 0 | 111.9 | K356 N357 D358 C363 R364 | K356-N360 WeakPolarHBondContact O-CB 3.3Å; K356-N360 PolarHBondContact O-N 3.11Å; K356-N360 PolarHBondContact O-ND2 3.02Å; K356-N360 VanDerWaalsContact O-ND2 3.11Å; N357-N360 WeakPolarHBondContact O-CB 3.39Å; N357-N360 PolarHBondContact O-N 3.13Å; N357-N360 VanDerWaalsContact O-N 3.16Å; D358-N360 VanDerWaalsContact C-N 3.34Å; D358-N360 PolarHBondContact O-N 3.46Å; N360-C363 PolarHBondContact O-N 3.3Å; N360-R364 WeakPolarHBondContact O-CB 3.49Å; N360-R364 VanDerWaalsContact O-CG 3.24Å; N360-R364 WeakPolarHBondContact O-CG 3.44Å; N360-R364 PolarHBondContact O-N 2.94Å |
| 361 | E | 94.6 | Very high | 94.1 | Very high | 103 Ų | 103 | 103.5 Ų | 103.5 | 48% | 0.481 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.1 | -42.7 | 176.4 | -76.1 | -174.5 | -179.2 | 0 | 0 | 112.6 | N357 D358 V359 R364 R365 | N357-E361 WeakPolarHBondContact O-CG 3.25Å; N357-E361 PolarHBondContact O-N 3.48Å; D358-E361 PolarHBondContact O-N 3.29Å; V359-E361 VanDerWaalsContact C-N 3.35Å; V359-E361 PolarHBondContact O-N 3.47Å; E361-R364 PolarHBondContact O-N 3.29Å; E361-R365 WeakPolarHBondContact O-CB 3.31Å; E361-R365 WeakPolarHBondContact O-CG 3.5Å; E361-R365 PolarHBondContact O-N 2.99Å; E361-R365 PolarHBondContact O-NE 3.43Å |
| 362 | V | 93.2 | Very high | 94.1 | Very high | 56 Ų | 56 | 107.1 Ų | 107.1 | 34% | 0.339 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.6 | -46.2 | 174 | 172.2 | 0 | 0 | 0 | 0 | 110.1 | D358 V359 R364 R365 Q366 | D358-V362 WeakPolarHBondContact O-CG2 3.49Å; D358-V362 PolarHBondContact O-N 3.47Å; V359-V362 PolarHBondContact O-N 2.96Å; V362-R364 PolarHBondContact O-N 3.12Å; V362-R365 PolarHBondContact O-N 2.9Å; V362-Q366 HydrophobicContact CG1-CG 4.48Å; V362-Q366 WeakPolarHBondContact O-CG 3.31Å; V362-Q366 PolarHBondContact O-N 2.96Å |
| 363 | C | 92.9 | Very high | 94.1 | Very high | 57 Ų | 57 | 104.9 Ų | 104.9 | 39% | 0.385 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.5 | -45.5 | 177.3 | -174.9 | 0 | 0 | 0 | 0 | 111.6 | V359 N360 R365 Q366 I367 | V359-C363 VanDerWaalsContact O-CB 3.27Å; V359-C363 WeakPolarHBondContact O-CB 3.48Å; V359-C363 PolarHBondContact O-N 3.05Å; N360-C363 PolarHBondContact O-N 3.3Å; C363-R365 PolarHBondContact O-N 3.37Å; C363-Q366 PolarHBondContact O-N 3.41Å; C363-I367 VanDerWaalsContact O-CG1 3.29Å; C363-I367 WeakPolarHBondContact O-CG1 3.44Å; C363-I367 PolarHBondContact O-N 3.03Å |
| 364 | R | 93.7 | Very high | 94.1 | Very high | 176 Ų | 176 | 105.8 Ų | 105.8 | 66% | 0.664 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -58.6 | -45.7 | 174.3 | -77.3 | 173.9 | -176.3 | 175.3 | 2.1 | 111.8 | N360 E361 V362 I367 M368 | N360-R364 WeakPolarHBondContact O-CB 3.49Å; N360-R364 VanDerWaalsContact O-CG 3.24Å; N360-R364 WeakPolarHBondContact O-CG 3.44Å; N360-R364 PolarHBondContact O-N 2.94Å; E361-R364 PolarHBondContact O-N 3.29Å; V362-R364 PolarHBondContact O-N 3.12Å; R364-I367 PolarHBondContact O-N 3.23Å; R364-M368 WeakPolarHBondContact O-CB 3.47Å; R364-M368 VanDerWaalsContact O-CG 3.29Å; R364-M368 WeakPolarHBondContact O-CG 3.29Å; R364-M368 PolarHBondContact O-N 3.28Å |
| 365 | R | 94.8 | Very high | 94 | Very high | 152 Ų | 152 | 106.4 Ų | 106.4 | 57% | 0.574 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.1 | -45.9 | 176.6 | -80.4 | -177.5 | -81.7 | 146.9 | -11.6 | 111.9 | E361 V362 C363 I367 M368 E369 | E361-R365 WeakPolarHBondContact O-CB 3.31Å; E361-R365 WeakPolarHBondContact O-CG 3.5Å; E361-R365 PolarHBondContact O-N 2.99Å; E361-R365 PolarHBondContact O-NE 3.43Å; V362-R365 PolarHBondContact O-N 2.9Å; C363-R365 PolarHBondContact O-N 3.37Å; R365-I367 PolarHBondContact O-N 3.26Å; R365-M368 PolarHBondContact O-N 3.23Å; R365-E369 WeakPolarHBondContact O-CB 3.39Å; R365-E369 PolarHBondContact O-N 3.34Å |
| 366 | Q | 93.5 | Very high | 94 | Very high | 108 Ų | 108 | 105.6 Ų | 105.6 | 51% | 0.505 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 178 | -72.6 | 177.4 | -8.4 | 0 | 0 | 112.6 | V362 C363 E369 K370 | V362-Q366 HydrophobicContact CG1-CG 4.48Å; V362-Q366 WeakPolarHBondContact O-CG 3.31Å; V362-Q366 PolarHBondContact O-N 2.96Å; C363-Q366 PolarHBondContact O-N 3.41Å; Q366-E369 PolarHBondContact O-N 3.16Å; Q366-K370 WeakPolarHBondContact O-CB 3.39Å; Q366-K370 WeakPolarHBondContact O-CG 3.38Å; Q366-K370 PolarHBondContact O-N 2.97Å |
| 367 | I | 92.6 | Very high | 94 | Very high | 80 Ų | 80 | 105.5 Ų | 105.5 | 41% | 0.41 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 175.8 | -68.9 | 166.2 | 0 | 0 | 0 | 110.3 | C363 R364 R365 K370 R371 | C363-I367 VanDerWaalsContact O-CG1 3.29Å; C363-I367 WeakPolarHBondContact O-CG1 3.44Å; C363-I367 PolarHBondContact O-N 3.03Å; R364-I367 PolarHBondContact O-N 3.23Å; R365-I367 PolarHBondContact O-N 3.26Å; I367-K370 PolarHBondContact O-N 2.79Å; I367-R371 WeakPolarHBondContact O-CB 3.49Å; I367-R371 WeakPolarHBondContact O-CG 3.5Å; I367-R371 PolarHBondContact O-N 3.35Å |
| 368 | M | 93.6 | Very high | 93.9 | Very high | 128 Ų | 128 | 104.5 Ų | 104.5 | 63% | 0.631 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.8 | -42.2 | 177.6 | -72.5 | -64.1 | -65.7 | 0 | 0 | 112 | R364 R365 R371 K372 | R364-M368 WeakPolarHBondContact O-CB 3.47Å; R364-M368 VanDerWaalsContact O-CG 3.29Å; R364-M368 WeakPolarHBondContact O-CG 3.29Å; R364-M368 PolarHBondContact O-N 3.28Å; R365-M368 PolarHBondContact O-N 3.23Å; M368-R371 PolarHBondContact O-N 3.5Å; M368-K372 WeakPolarHBondContact O-CB 3.48Å; M368-K372 PolarHBondContact O-N 3.26Å |
| 369 | E | 95 | Very high | 94 | Very high | 103 Ų | 103 | 105 Ų | 105 | 48% | 0.481 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.1 | -43.7 | 177.5 | -167.4 | -171.5 | 156.3 | 0 | 0 | 111.9 | R365 Q366 K372 K373 | R365-E369 WeakPolarHBondContact O-CB 3.39Å; R365-E369 PolarHBondContact O-N 3.34Å; Q366-E369 PolarHBondContact O-N 3.16Å; E369-K372 PolarHBondContact O-N 2.86Å; E369-K373 WeakPolarHBondContact O-CG 3.23Å; E369-K373 PolarHBondContact O-N 3.48Å; E369-K373 WeakPolarHBondContact OE1-CE 3.47Å; E369-K373 IonicContact OE1-NZ 3.79Å; E369-K373 PolarHBondContact OE1-NZ 3.04Å |
| 370 | K | 94.3 | Very high | 93.9 | Very high | 157 Ų | 157 | 106.3 Ų | 106.3 | 68% | 0.683 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63 | -42.3 | 175.8 | -76.2 | -177.2 | 178.2 | -174.8 | 0 | 112.1 | Q366 I367 K373 H374 | Q366-K370 WeakPolarHBondContact O-CB 3.39Å; Q366-K370 WeakPolarHBondContact O-CG 3.38Å; Q366-K370 PolarHBondContact O-N 2.97Å; I367-K370 PolarHBondContact O-N 2.79Å; K370-K373 PolarHBondContact O-N 3.18Å; K370-H374 WeakPolarHBondContact O-CB 3.48Å; K370-H374 PolarHBondContact O-N 3.22Å |
| 371 | R | 93.3 | Very high | 93.9 | Very high | 164 Ų | 164 | 109.7 Ų | 109.7 | 62% | 0.619 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.2 | -46.4 | 175.2 | -75.5 | 179.4 | 179.8 | -150 | -1 | 111.1 | I367 M368 K373 H374 D375 | I367-R371 WeakPolarHBondContact O-CB 3.49Å; I367-R371 WeakPolarHBondContact O-CG 3.5Å; I367-R371 PolarHBondContact O-N 3.35Å; M368-R371 PolarHBondContact O-N 3.5Å; R371-K373 PolarHBondContact O-N 3.42Å; R371-H374 PolarHBondContact O-N 3.07Å; R371-D375 WeakPolarHBondContact O-CB 3.35Å; R371-D375 PolarHBondContact O-N 3.46Å |
| 372 | K | 95.1 | Very high | 93.8 | Very high | 133 Ų | 133 | 109.4 Ų | 109.4 | 58% | 0.578 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -58.2 | -47.5 | 177.4 | -169.6 | -173.8 | -178.7 | -148.1 | 0 | 112 | M368 E369 H374 D375 E376 | M368-K372 WeakPolarHBondContact O-CB 3.48Å; M368-K372 PolarHBondContact O-N 3.26Å; E369-K372 PolarHBondContact O-N 2.86Å; K372-H374 PolarHBondContact O-N 3.36Å; K372-D375 PolarHBondContact O-N 3.46Å; K372-E376 WeakPolarHBondContact CE-OE1 3.43Å; K372-E376 IonicContact NZ-OE1 2.78Å; K372-E376 PolarHBondContact NZ-OE1 3.07Å; K372-E376 WeakPolarHBondContact O-CB 3.33Å; K372-E376 WeakPolarHBondContact O-CG 3.21Å; K372-E376 PolarHBondContact O-N 3.31Å |
| 373 | K | 94.6 | Very high | 93.8 | Very high | 101 Ų | 101 | 111.4 Ų | 111.4 | 44% | 0.439 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 176 | -75 | 177.3 | 178.5 | 166.2 | 0 | 112.1 | E369 K370 R371 D375 E376 E377 | E369-K373 WeakPolarHBondContact O-CG 3.23Å; E369-K373 PolarHBondContact O-N 3.48Å; E369-K373 WeakPolarHBondContact OE1-CE 3.47Å; E369-K373 IonicContact OE1-NZ 3.79Å; E369-K373 PolarHBondContact OE1-NZ 3.04Å; K370-K373 PolarHBondContact O-N 3.18Å; R371-K373 PolarHBondContact O-N 3.42Å; K373-D375 VanDerWaalsContact C-N 3.31Å; K373-D375 PolarHBondContact O-N 3.32Å; K373-E376 PolarHBondContact O-N 3.5Å; K373-E377 WeakPolarHBondContact O-CB 3.47Å; K373-E377 WeakPolarHBondContact O-CG 3.3Å; K373-E377 PolarHBondContact O-N 2.99Å |
| 374 | H | 92.2 | Very high | 93.7 | Very high | 93 Ų | 93 | 114.6 Ų | 114.6 | 43% | 0.431 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.7 | -38.4 | 176.8 | 177.9 | -97.5 | 0 | 0 | 0 | 112.3 | K370 R371 K372 N378 | K370-H374 WeakPolarHBondContact O-CB 3.48Å; K370-H374 PolarHBondContact O-N 3.22Å; R371-H374 PolarHBondContact O-N 3.07Å; K372-H374 PolarHBondContact O-N 3.36Å; H374-N378 PolarHBondContact CE1-ND2 3.13Å; H374-N378 PolarHBondContact ND1-ND2 3.31Å; H374-N378 WeakPolarHBondContact O-CB 3.42Å; H374-N378 PolarHBondContact O-N 3.12Å; H374-N378 PolarHBondContact O-ND2 3.03Å |
| 375 | D | 94.2 | Very high | 93.7 | Very high | 100 Ų | 100 | 107.7 Ų | 107.7 | 54% | 0.535 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69 | -39.1 | 176.5 | -67.4 | -19.5 | 0 | 0 | 0 | 111.7 | R371 K372 K373 N378 L379 | R371-D375 WeakPolarHBondContact O-CB 3.35Å; R371-D375 PolarHBondContact O-N 3.46Å; K372-D375 PolarHBondContact O-N 3.46Å; K373-D375 VanDerWaalsContact C-N 3.31Å; K373-D375 PolarHBondContact O-N 3.32Å; D375-N378 PolarHBondContact O-N 3.33Å; D375-L379 WeakPolarHBondContact O-CB 3.5Å; D375-L379 PolarHBondContact O-N 3.42Å |
| 376 | E | 95.1 | Very high | 93.7 | Very high | 90 Ų | 90 | 106.4 Ų | 106.4 | 42% | 0.421 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.9 | -50.5 | 171.7 | -73.1 | 167.4 | 177.3 | 0 | 0 | 110.8 | K372 K373 N378 L379 E380 | K372-E376 WeakPolarHBondContact CE-OE1 3.43Å; K372-E376 IonicContact NZ-OE1 2.78Å; K372-E376 PolarHBondContact NZ-OE1 3.07Å; K372-E376 WeakPolarHBondContact O-CB 3.33Å; K372-E376 WeakPolarHBondContact O-CG 3.21Å; K372-E376 PolarHBondContact O-N 3.31Å; K373-E376 PolarHBondContact O-N 3.5Å; E376-N378 VanDerWaalsContact C-N 3.3Å; E376-N378 PolarHBondContact O-N 3.1Å; E376-L379 WeakPolarHBondContact O-CB 3.48Å; E376-L379 PolarHBondContact O-N 2.91Å; E376-L379 VanDerWaalsContact O-N 3.09Å; E376-E380 WeakPolarHBondContact O-CG 3.3Å; E376-E380 PolarHBondContact O-N 2.88Å |
| 377 | E | 93.9 | Very high | 93.7 | Very high | 102 Ų | 102 | 107 Ų | 107 | 48% | 0.477 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.3 | -36.5 | 175.9 | -72.7 | 171.2 | -169.7 | 0 | 0 | 112.7 | K373 R381 | K373-E377 WeakPolarHBondContact O-CB 3.47Å; K373-E377 WeakPolarHBondContact O-CG 3.3Å; K373-E377 PolarHBondContact O-N 2.99Å; E377-R381 WeakPolarHBondContact O-CB 3.5Å; E377-R381 VanDerWaalsContact O-CG 3.28Å; E377-R381 WeakPolarHBondContact O-CG 3.36Å; E377-R381 PolarHBondContact O-N 2.89Å |
| 378 | N | 93.5 | Very high | 93.7 | Very high | 46 Ų | 46 | 108.4 Ų | 108.4 | 25% | 0.246 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 174.4 | -75.4 | -31.5 | 0 | 0 | 0 | 111.8 | H374 D375 E376 R381 I382 | H374-N378 PolarHBondContact CE1-ND2 3.13Å; H374-N378 PolarHBondContact ND1-ND2 3.31Å; H374-N378 WeakPolarHBondContact O-CB 3.42Å; H374-N378 PolarHBondContact O-N 3.12Å; H374-N378 PolarHBondContact O-ND2 3.03Å; D375-N378 PolarHBondContact O-N 3.33Å; E376-N378 VanDerWaalsContact C-N 3.3Å; E376-N378 PolarHBondContact O-N 3.1Å; N378-R381 PolarHBondContact O-N 2.89Å; N378-R381 PolarHBondContact OD1-NH2 2.81Å; N378-I382 WeakPolarHBondContact O-CB 3.22Å; N378-I382 WeakPolarHBondContact O-CD1 3.36Å; N378-I382 WeakPolarHBondContact O-CG1 3.43Å; N378-I382 PolarHBondContact O-N 3.48Å |
| 379 | L | 95 | Very high | 93.7 | Very high | 101 Ų | 101 | 109.1 Ų | 109.1 | 53% | 0.529 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.2 | -44.3 | 179.8 | -164.4 | 133.5 | 0 | 0 | 0 | 110.6 | D375 E376 I382 E383 | D375-L379 WeakPolarHBondContact O-CB 3.5Å; D375-L379 PolarHBondContact O-N 3.42Å; E376-L379 WeakPolarHBondContact O-CB 3.48Å; E376-L379 PolarHBondContact O-N 2.91Å; E376-L379 VanDerWaalsContact O-N 3.09Å; L379-I382 PolarHBondContact O-N 3.38Å; L379-E383 WeakPolarHBondContact CD2-OE1 3.39Å; L379-E383 WeakPolarHBondContact O-CG 3.44Å; L379-E383 PolarHBondContact O-N 2.88Å |
| 380 | E | 93.5 | Very high | 93.7 | Very high | 114 Ų | 114 | 110.4 Ų | 110.4 | 53% | 0.533 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.8 | -49.3 | 172.4 | -72.1 | 179.2 | 176.2 | 0 | 0 | 111.5 | E376 I382 E383 E384 | E376-E380 WeakPolarHBondContact O-CG 3.3Å; E376-E380 PolarHBondContact O-N 2.88Å; E380-I382 VanDerWaalsContact C-N 3.29Å; E380-I382 PolarHBondContact O-N 3.26Å; E380-E383 WeakPolarHBondContact O-CB 3.43Å; E380-E383 PolarHBondContact O-N 3.48Å; E380-E384 WeakPolarHBondContact O-CG 3.43Å; E380-E384 PolarHBondContact O-N 2.85Å |
| 381 | R | 92.4 | Very high | 93.6 | Very high | 139 Ų | 139 | 106.8 Ų | 106.8 | 53% | 0.525 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.4 | -37.2 | 176.4 | -77.3 | -171.7 | -69.9 | 178 | -8 | 113.2 | E377 N378 G385 | E377-R381 WeakPolarHBondContact O-CB 3.5Å; E377-R381 VanDerWaalsContact O-CG 3.28Å; E377-R381 WeakPolarHBondContact O-CG 3.36Å; E377-R381 PolarHBondContact O-N 2.89Å; N378-R381 PolarHBondContact O-N 2.89Å; N378-R381 PolarHBondContact OD1-NH2 2.81Å; R381-G385 PolarHBondContact O-N 3.37Å |
| 382 | I | 93.9 | Very high | 93.6 | Very high | 98 Ų | 98 | 102.5 Ų | 102.5 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67 | -40.9 | 175.6 | -71.5 | 164.5 | 0 | 0 | 0 | 110.4 | N378 L379 E380 G385 K386 | N378-I382 WeakPolarHBondContact O-CB 3.22Å; N378-I382 WeakPolarHBondContact O-CD1 3.36Å; N378-I382 WeakPolarHBondContact O-CG1 3.43Å; N378-I382 PolarHBondContact O-N 3.48Å; L379-I382 PolarHBondContact O-N 3.38Å; E380-I382 VanDerWaalsContact C-N 3.29Å; E380-I382 PolarHBondContact O-N 3.26Å; I382-G385 PolarHBondContact O-N 3.18Å; I382-K386 HydrophobicContact CG2-CD 4.3Å; I382-K386 VanDerWaalsContact O-CG 3.3Å; I382-K386 WeakPolarHBondContact O-CG 3.45Å; I382-K386 PolarHBondContact O-N 3.06Å |
| 383 | E | 93.4 | Very high | 93.6 | Very high | 97 Ų | 97 | 102 Ų | 102 | 45% | 0.453 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.9 | -47.4 | 177.3 | -72.7 | -176.4 | 176.6 | 0 | 0 | 112.3 | L379 E380 G385 K386 Q387 | L379-E383 WeakPolarHBondContact CD2-OE1 3.39Å; L379-E383 WeakPolarHBondContact O-CG 3.44Å; L379-E383 PolarHBondContact O-N 2.88Å; E380-E383 WeakPolarHBondContact O-CB 3.43Å; E380-E383 PolarHBondContact O-N 3.48Å; E383-G385 VanDerWaalsContact C-N 3.31Å; E383-G385 PolarHBondContact O-N 3.35Å; E383-K386 WeakPolarHBondContact O-CB 3.42Å; E383-K386 PolarHBondContact O-N 3.47Å; E383-K386 VanDerWaalsContact O-N 3.11Å; E383-Q387 WeakPolarHBondContact O-CG 3.43Å; E383-Q387 PolarHBondContact O-N 3.17Å |
| 384 | E | 90.7 | Very high | 93.6 | Very high | 124 Ų | 124 | 104.6 Ų | 104.6 | 58% | 0.579 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -56.3 | -46.2 | 172.2 | -71.2 | -179.1 | 167 | 0 | 0 | 111 | E380 K386 Q387 L388 | E380-E384 WeakPolarHBondContact O-CG 3.43Å; E380-E384 PolarHBondContact O-N 2.85Å; E384-K386 VanDerWaalsContact C-N 3.31Å; E384-K386 PolarHBondContact O-N 2.88Å; E384-Q387 PolarHBondContact O-N 3.44Å; E384-Q387 VanDerWaalsContact O-N 3.14Å; E384-L388 WeakPolarHBondContact O-CB 3.49Å; E384-L388 PolarHBondContact O-N 2.96Å |
| 385 | G | 93 | Very high | 93.6 | Very high | 31 Ų | 31 | 106.2 Ų | 106.2 | 32% | 0.32 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60 | -38 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R381 I382 E383 K389 | R381-G385 PolarHBondContact O-N 3.37Å; I382-G385 PolarHBondContact O-N 3.18Å; E383-G385 VanDerWaalsContact C-N 3.31Å; E383-G385 PolarHBondContact O-N 3.35Å; G385-K389 WeakPolarHBondContact O-CB 3.49Å; G385-K389 VanDerWaalsContact O-CG 3.31Å; G385-K389 WeakPolarHBondContact O-CG 3.4Å; G385-K389 PolarHBondContact O-N 2.9Å; G385-K389 VanDerWaalsContact O-N 3.09Å |
| 386 | K | 94.7 | Very high | 93.6 | Very high | 125 Ų | 125 | 107.8 Ų | 107.8 | 54% | 0.543 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68 | -41.7 | 173.4 | -74.3 | 169.3 | -176.7 | 172 | 0 | 111.6 | I382 E383 E384 K389 K390 | I382-K386 HydrophobicContact CG2-CD 4.3Å; I382-K386 VanDerWaalsContact O-CG 3.3Å; I382-K386 WeakPolarHBondContact O-CG 3.45Å; I382-K386 PolarHBondContact O-N 3.06Å; E383-K386 WeakPolarHBondContact O-CB 3.42Å; E383-K386 PolarHBondContact O-N 3.47Å; E383-K386 VanDerWaalsContact O-N 3.11Å; E384-K386 VanDerWaalsContact C-N 3.31Å; E384-K386 PolarHBondContact O-N 2.88Å; K386-K389 PolarHBondContact O-N 3.44Å; K386-K390 WeakPolarHBondContact O-CG 3.36Å; K386-K390 PolarHBondContact O-N 3.36Å; K386-K390 VanDerWaalsContact O-N 3.08Å |
| 387 | Q | 93.1 | Very high | 93.6 | Very high | 122 Ų | 122 | 108.9 Ų | 108.9 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.5 | -44.8 | 177.3 | -69.1 | -175.8 | 16.2 | 0 | 0 | 111.4 | E383 E384 K389 K390 I391 | E383-Q387 WeakPolarHBondContact O-CG 3.43Å; E383-Q387 PolarHBondContact O-N 3.17Å; E384-Q387 PolarHBondContact O-N 3.44Å; E384-Q387 VanDerWaalsContact O-N 3.14Å; Q387-K389 PolarHBondContact O-N 3.23Å; Q387-K390 WeakPolarHBondContact O-CB 3.36Å; Q387-K390 PolarHBondContact O-N 3.23Å; Q387-I391 WeakPolarHBondContact O-CG1 3.49Å; Q387-I391 PolarHBondContact O-N 3.29Å |
| 388 | L | 93 | Very high | 93.6 | Very high | 109 Ų | 109 | 108.6 Ų | 108.6 | 57% | 0.571 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.1 | -43.9 | 177.6 | -150.6 | 88.9 | 0 | 0 | 0 | 111.2 | E384 K390 I391 I392 | E384-L388 WeakPolarHBondContact O-CB 3.49Å; E384-L388 PolarHBondContact O-N 2.96Å; L388-K390 PolarHBondContact O-N 3.4Å; L388-I391 PolarHBondContact O-N 3.3Å; L388-I391 VanDerWaalsContact O-N 3.16Å; L388-I392 HydrophobicContact CD2-CD1 4.28Å; L388-I392 HydrophobicContact CG-CD1 4.42Å; L388-I392 VanDerWaalsContact O-CG1 3.31Å; L388-I392 WeakPolarHBondContact O-CG1 3.48Å; L388-I392 PolarHBondContact O-N 3.43Å |
| 389 | K | 94.4 | Very high | 93.6 | Very high | 143 Ų | 143 | 109.3 Ų | 109.3 | 62% | 0.622 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.5 | -45.3 | 174.1 | -78 | 177.8 | -176.7 | -178.3 | 0 | 112.1 | G385 K386 Q387 I391 I392 E393 | G385-K389 WeakPolarHBondContact O-CB 3.49Å; G385-K389 VanDerWaalsContact O-CG 3.31Å; G385-K389 WeakPolarHBondContact O-CG 3.4Å; G385-K389 PolarHBondContact O-N 2.9Å; G385-K389 VanDerWaalsContact O-N 3.09Å; K386-K389 PolarHBondContact O-N 3.44Å; Q387-K389 PolarHBondContact O-N 3.23Å; K389-I391 VanDerWaalsContact C-N 3.29Å; K389-I391 PolarHBondContact O-N 2.94Å; K389-I392 PolarHBondContact O-N 2.99Å; K389-E393 WeakPolarHBondContact O-CG 3.27Å; K389-E393 PolarHBondContact O-N 3.29Å |
| 390 | K | 94.2 | Very high | 93.5 | Very high | 130 Ų | 130 | 111.5 Ų | 111.5 | 57% | 0.565 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.5 | -34.8 | 175.8 | -72.7 | 176.8 | 179.8 | -178 | 0 | 112.8 | K386 Q387 L388 R394 | K386-K390 WeakPolarHBondContact O-CG 3.36Å; K386-K390 PolarHBondContact O-N 3.36Å; K386-K390 VanDerWaalsContact O-N 3.08Å; Q387-K390 WeakPolarHBondContact O-CB 3.36Å; Q387-K390 PolarHBondContact O-N 3.23Å; L388-K390 PolarHBondContact O-N 3.4Å; K390-R394 PolarHBondContact O-N 3.46Å; K390-R394 PolarHBondContact O-NE 3.43Å |
| 391 | I | 93.4 | Very high | 93.6 | Very high | 81 Ų | 81 | 112 Ų | 112 | 42% | 0.415 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.4 | -46.4 | 175.8 | -67.1 | 166.8 | 0 | 0 | 0 | 110.2 | Q387 L388 K389 E393 R394 M395 | Q387-I391 WeakPolarHBondContact O-CG1 3.49Å; Q387-I391 PolarHBondContact O-N 3.29Å; L388-I391 PolarHBondContact O-N 3.3Å; L388-I391 VanDerWaalsContact O-N 3.16Å; K389-I391 VanDerWaalsContact C-N 3.29Å; K389-I391 PolarHBondContact O-N 2.94Å; I391-E393 VanDerWaalsContact C-N 3.31Å; I391-E393 PolarHBondContact O-N 2.86Å; I391-R394 PolarHBondContact O-N 3.38Å; I391-M395 HydrophobicContact CG2-CG 4.36Å; I391-M395 HydrophobicContact CG2-SD 4.14Å; I391-M395 WeakPolarHBondContact O-CG 3.4Å; I391-M395 PolarHBondContact O-N 2.93Å |
| 392 | I | 93.2 | Very high | 93.7 | Very high | 74 Ų | 74 | 110.7 Ų | 110.7 | 38% | 0.379 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60 | -41.8 | 177.9 | -68.5 | 165.8 | 0 | 0 | 0 | 111.2 | L388 K389 M395 K396 | L388-I392 HydrophobicContact CD2-CD1 4.28Å; L388-I392 HydrophobicContact CG-CD1 4.42Å; L388-I392 VanDerWaalsContact O-CG1 3.31Å; L388-I392 WeakPolarHBondContact O-CG1 3.48Å; L388-I392 PolarHBondContact O-N 3.43Å; K389-I392 PolarHBondContact O-N 2.99Å; I392-M395 PolarHBondContact O-N 3.39Å; I392-K396 HydrophobicContact CG2-CD 4.18Å; I392-K396 WeakPolarHBondContact O-CB 3.44Å; I392-K396 VanDerWaalsContact O-CG 3.31Å; I392-K396 WeakPolarHBondContact O-CG 3.21Å; I392-K396 PolarHBondContact O-N 3.09Å |
| 393 | E | 94.3 | Very high | 93.7 | Very high | 122 Ų | 122 | 110.1 Ų | 110.1 | 57% | 0.57 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.9 | -43.5 | 176.2 | -76 | 175.4 | -179.8 | 0 | 0 | 112.1 | K389 I391 K396 L397 | K389-E393 WeakPolarHBondContact O-CG 3.27Å; K389-E393 PolarHBondContact O-N 3.29Å; I391-E393 VanDerWaalsContact C-N 3.31Å; I391-E393 PolarHBondContact O-N 2.86Å; E393-K396 PolarHBondContact O-N 3.42Å; E393-L397 WeakPolarHBondContact O-CG 3.24Å; E393-L397 PolarHBondContact O-N 3.17Å |
| 394 | R | 93.9 | Very high | 93.8 | Very high | 156 Ų | 156 | 111 Ų | 111 | 59% | 0.589 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.6 | -49.9 | 173.1 | -82.3 | -174.1 | -81.5 | -175.5 | -2.3 | 111.9 | K390 I391 K396 L397 D398 | K390-R394 PolarHBondContact O-N 3.46Å; K390-R394 PolarHBondContact O-NE 3.43Å; I391-R394 PolarHBondContact O-N 3.38Å; R394-K396 VanDerWaalsContact C-N 3.27Å; R394-K396 PolarHBondContact O-N 2.94Å; R394-L397 WeakPolarHBondContact O-CB 3.07Å; R394-L397 PolarHBondContact O-N 2.81Å; R394-D398 VanDerWaalsContact O-CG 3.28Å; R394-D398 PolarHBondContact O-N 3.49Å |
| 395 | M | 93.2 | Very high | 94 | Very high | 126 Ų | 126 | 109 Ų | 109 | 62% | 0.621 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -58.5 | -37.8 | 177.4 | -71 | -178 | 72.7 | 0 | 0 | 112.8 | I391 I392 S399 | I391-M395 HydrophobicContact CG2-CG 4.36Å; I391-M395 HydrophobicContact CG2-SD 4.14Å; I391-M395 WeakPolarHBondContact O-CG 3.4Å; I391-M395 PolarHBondContact O-N 2.93Å; I392-M395 PolarHBondContact O-N 3.39Å; M395-S399 WeakPolarHBondContact O-CB 3.26Å; M395-S399 PolarHBondContact O-N 3.3Å |
| 396 | K | 93.8 | Very high | 94.1 | Very high | 133 Ų | 133 | 115 Ų | 115 | 58% | 0.578 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.2 | -39.8 | 175.3 | -77.7 | 176.3 | 179.7 | 178.9 | 0 | 112 | I392 E393 R394 K400 | I392-K396 HydrophobicContact CG2-CD 4.18Å; I392-K396 WeakPolarHBondContact O-CB 3.44Å; I392-K396 VanDerWaalsContact O-CG 3.31Å; I392-K396 WeakPolarHBondContact O-CG 3.21Å; I392-K396 PolarHBondContact O-N 3.09Å; E393-K396 PolarHBondContact O-N 3.42Å; R394-K396 VanDerWaalsContact C-N 3.27Å; R394-K396 PolarHBondContact O-N 2.94Å; K396-K400 WeakPolarHBondContact O-CB 3.35Å; K396-K400 VanDerWaalsContact O-CG 3.28Å; K396-K400 WeakPolarHBondContact O-CG 3.22Å; K396-K400 PolarHBondContact O-N 3.34Å; K396-K400 VanDerWaalsContact O-N 3.09Å |
| 397 | L | 94.5 | Very high | 94.2 | Very high | 114 Ų | 114 | 117.4 Ų | 117.4 | 60% | 0.597 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.5 | -46.7 | 176.2 | -74 | 168.8 | 0 | 0 | 0 | 110.9 | E393 R394 K400 H401 | E393-L397 WeakPolarHBondContact O-CG 3.24Å; E393-L397 PolarHBondContact O-N 3.17Å; R394-L397 WeakPolarHBondContact O-CB 3.07Å; R394-L397 PolarHBondContact O-N 2.81Å; L397-K400 PolarHBondContact O-N 3.38Å; L397-H401 WeakPolarHBondContact O-CB 3.37Å; L397-H401 PolarHBondContact O-N 3.06Å |
| 398 | D | 93.9 | Very high | 94.3 | Very high | 96 Ų | 96 | 116.3 Ų | 116.3 | 51% | 0.513 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 178.9 | -63.9 | -21.5 | 0 | 0 | 0 | 110.9 | R394 K400 H401 E402 | R394-D398 VanDerWaalsContact O-CG 3.28Å; R394-D398 PolarHBondContact O-N 3.49Å; D398-K400 VanDerWaalsContact C-N 3.34Å; D398-K400 PolarHBondContact O-N 2.94Å; D398-H401 WeakPolarHBondContact O-CB 3.33Å; D398-H401 PolarHBondContact O-N 3.07Å; D398-H401 VanDerWaalsContact O-N 3.1Å; D398-E402 WeakPolarHBondContact O-CG 3.5Å; D398-E402 PolarHBondContact O-N 3.06Å |
| 399 | S | 93.7 | Very high | 94.4 | Very high | 60 Ų | 60 | 115.5 Ų | 115.5 | 42% | 0.42 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 176.7 | -179 | 0 | 0 | 0 | 0 | 112.6 | M395 H401 L403 | M395-S399 WeakPolarHBondContact O-CB 3.26Å; M395-S399 PolarHBondContact O-N 3.3Å; S399-H401 VanDerWaalsContact C-N 3.34Å; S399-L403 WeakPolarHBondContact O-CB 3.47Å; S399-L403 VanDerWaalsContact O-CG 3.3Å; S399-L403 WeakPolarHBondContact O-CG 3.19Å; S399-L403 PolarHBondContact O-N 2.99Å |
| 400 | K | 94.3 | Very high | 94.5 | Very high | 148 Ų | 148 | 114.1 Ų | 114.1 | 64% | 0.643 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.8 | -41 | 173.6 | -78.3 | 178.3 | -179.1 | -177.3 | 0 | 111.5 | K396 L397 D398 H404 | K396-K400 WeakPolarHBondContact O-CB 3.35Å; K396-K400 VanDerWaalsContact O-CG 3.28Å; K396-K400 WeakPolarHBondContact O-CG 3.22Å; K396-K400 PolarHBondContact O-N 3.34Å; K396-K400 VanDerWaalsContact O-N 3.09Å; L397-K400 PolarHBondContact O-N 3.38Å; D398-K400 VanDerWaalsContact C-N 3.34Å; D398-K400 PolarHBondContact O-N 2.94Å; K400-H404 WeakPolarHBondContact O-CB 3.41Å; K400-H404 PolarHBondContact O-N 2.92Å |
| 401 | H | 94.8 | Very high | 94.5 | Very high | 124 Ų | 124 | 112.6 Ų | 112.6 | 57% | 0.574 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.3 | -46 | 178.1 | -171.9 | 66 | 0 | 0 | 0 | 111.5 | L397 D398 S399 L403 H404 L405 | L397-H401 WeakPolarHBondContact O-CB 3.37Å; L397-H401 PolarHBondContact O-N 3.06Å; D398-H401 WeakPolarHBondContact O-CB 3.33Å; D398-H401 PolarHBondContact O-N 3.07Å; D398-H401 VanDerWaalsContact O-N 3.1Å; S399-H401 VanDerWaalsContact C-N 3.34Å; H401-L403 PolarHBondContact O-N 3.17Å; H401-H404 WeakPolarHBondContact O-CB 3.26Å; H401-H404 PolarHBondContact O-N 3.3Å; H401-L405 WeakPolarHBondContact O-CB 3.26Å; H401-L405 PolarHBondContact O-N 2.92Å |
| 402 | E | 94.2 | Very high | 94.6 | Very high | 111 Ų | 111 | 112.8 Ų | 112.8 | 52% | 0.519 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 175.1 | -73.8 | -173.1 | 175.7 | 0 | 0 | 112.4 | D398 H404 L405 R406 | D398-E402 WeakPolarHBondContact O-CG 3.5Å; D398-E402 PolarHBondContact O-N 3.06Å; E402-H404 VanDerWaalsContact C-N 3.33Å; E402-H404 PolarHBondContact O-N 2.91Å; E402-L405 PolarHBondContact O-N 3.49Å; E402-R406 WeakPolarHBondContact O-CB 3.32Å; E402-R406 WeakPolarHBondContact O-CG 3.28Å; E402-R406 PolarHBondContact O-N 3.46Å |
| 403 | L | 94.3 | Very high | 94.7 | Very high | 86 Ų | 86 | 116.9 Ų | 116.9 | 45% | 0.45 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 176.3 | -77.7 | 171.8 | 0 | 0 | 0 | 111.7 | S399 H401 R407 | S399-L403 WeakPolarHBondContact O-CB 3.47Å; S399-L403 VanDerWaalsContact O-CG 3.3Å; S399-L403 WeakPolarHBondContact O-CG 3.19Å; S399-L403 PolarHBondContact O-N 2.99Å; H401-L403 PolarHBondContact O-N 3.17Å; L403-R407 WeakPolarHBondContact O-CB 3.48Å; L403-R407 VanDerWaalsContact O-CG 3.29Å; L403-R407 WeakPolarHBondContact O-CG 3.01Å; L403-R407 PolarHBondContact O-N 3.36Å |
| 404 | H | 95.3 | Very high | 94.8 | Very high | 117 Ų | 117 | 118 Ų | 118 | 54% | 0.542 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62 | -47.9 | 174.6 | -177.4 | -76.3 | 0 | 0 | 0 | 111 | K400 H401 E402 R406 R407 Q408 | K400-H404 WeakPolarHBondContact O-CB 3.41Å; K400-H404 PolarHBondContact O-N 2.92Å; H401-H404 WeakPolarHBondContact O-CB 3.26Å; H401-H404 PolarHBondContact O-N 3.3Å; E402-H404 VanDerWaalsContact C-N 3.33Å; E402-H404 PolarHBondContact O-N 2.91Å; H404-R406 PolarHBondContact O-N 3.14Å; H404-R407 PolarHBondContact O-N 3.38Å; H404-Q408 PolarHBondContact O-N 3.42Å |
| 405 | L | 95.5 | Very high | 94.9 | Very high | 81 Ų | 81 | 113.9 Ų | 113.9 | 42% | 0.424 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61 | -43.8 | 179 | -157 | 78 | 0 | 0 | 0 | 111.5 | H401 E402 R407 Q408 N409 | H401-L405 WeakPolarHBondContact O-CB 3.26Å; H401-L405 PolarHBondContact O-N 2.92Å; E402-L405 PolarHBondContact O-N 3.49Å; L405-R407 PolarHBondContact O-N 2.95Å; L405-Q408 PolarHBondContact O-N 3.42Å; L405-N409 WeakPolarHBondContact O-CB 3.11Å; L405-N409 PolarHBondContact O-N 3.34Å; L405-N409 PolarHBondContact O-OD1 3.28Å |
| 406 | R | 95.2 | Very high | 95 | Very high | 158 Ų | 158 | 109.1 Ų | 109.1 | 60% | 0.596 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.8 | -44.4 | 174.7 | -74.5 | -179.2 | -173.8 | -169.5 | 5.2 | 112.1 | E402 H404 Q408 N409 I410 | E402-R406 WeakPolarHBondContact O-CB 3.32Å; E402-R406 WeakPolarHBondContact O-CG 3.28Å; E402-R406 PolarHBondContact O-N 3.46Å; H404-R406 PolarHBondContact O-N 3.14Å; R406-Q408 VanDerWaalsContact C-N 3.34Å; R406-Q408 PolarHBondContact O-N 3.08Å; R406-N409 PolarHBondContact O-N 3.5Å; R406-I410 VanDerWaalsContact O-CG1 3.28Å; R406-I410 WeakPolarHBondContact O-CG1 3.49Å; R406-I410 PolarHBondContact O-N 3.21Å |
| 407 | R | 95.4 | Very high | 95.1 | Very high | 175 Ų | 175 | 105.9 Ų | 105.9 | 66% | 0.66 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.4 | -43.8 | 176.3 | -76.1 | 174.3 | -179.4 | -173.2 | 0.6 | 111.4 | L403 H404 L405 I410 L411 | L403-R407 WeakPolarHBondContact O-CB 3.48Å; L403-R407 VanDerWaalsContact O-CG 3.29Å; L403-R407 WeakPolarHBondContact O-CG 3.01Å; L403-R407 PolarHBondContact O-N 3.36Å; H404-R407 PolarHBondContact O-N 3.38Å; L405-R407 PolarHBondContact O-N 2.95Å; R407-I410 PolarHBondContact O-N 3.13Å; R407-L411 WeakPolarHBondContact O-CB 3.46Å; R407-L411 VanDerWaalsContact O-CG 3.29Å; R407-L411 WeakPolarHBondContact O-CG 3.3Å; R407-L411 PolarHBondContact O-N 3.44Å |
| 408 | Q | 95.7 | Very high | 95.1 | Very high | 99 Ų | 99 | 104.7 Ų | 104.7 | 46% | 0.463 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 176.8 | -170.4 | 175.7 | 2.2 | 0 | 0 | 111.2 | H404 L405 R406 I410 L411 T412 | H404-Q408 PolarHBondContact O-N 3.42Å; L405-Q408 PolarHBondContact O-N 3.42Å; R406-Q408 VanDerWaalsContact C-N 3.34Å; R406-Q408 PolarHBondContact O-N 3.08Å; Q408-I410 PolarHBondContact O-N 3.48Å; Q408-L411 PolarHBondContact O-N 3.4Å; Q408-T412 WeakPolarHBondContact O-CG2 3.46Å; Q408-T412 PolarHBondContact O-N 3.06Å; Q408-T412 PolarHBondContact O-OG1 2.95Å |
| 409 | N | 96.3 | Very high | 95.2 | Very high | 92 Ų | 92 | 108.3 Ų | 108.3 | 49% | 0.492 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 177 | -69.5 | -11.3 | 0 | 0 | 0 | 112.3 | L405 R406 T412 Y413 | L405-N409 WeakPolarHBondContact O-CB 3.11Å; L405-N409 PolarHBondContact O-N 3.34Å; L405-N409 PolarHBondContact O-OD1 3.28Å; R406-N409 PolarHBondContact O-N 3.5Å; N409-T412 WeakPolarHBondContact CA-OG1 3.32Å; N409-T412 PolarHBondContact O-N 2.97Å; N409-T412 PolarHBondContact O-OG1 3.41Å; N409-Y413 WeakPolarHBondContact O-CB 3.34Å; N409-Y413 PolarHBondContact O-N 3.27Å |
| 410 | I | 95.2 | Very high | 95.3 | Very high | 113 Ų | 113 | 111 Ų | 111 | 58% | 0.579 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.6 | -43.6 | 176.1 | -68.5 | 165.8 | 0 | 0 | 0 | 110.6 | R406 R407 Q408 Y413 R414 | R406-I410 VanDerWaalsContact O-CG1 3.28Å; R406-I410 WeakPolarHBondContact O-CG1 3.49Å; R406-I410 PolarHBondContact O-N 3.21Å; R407-I410 PolarHBondContact O-N 3.13Å; Q408-I410 PolarHBondContact O-N 3.48Å; I410-Y413 PolarHBondContact O-N 3.43Å; I410-R414 VanDerWaalsContact O-CB 3.29Å; I410-R414 WeakPolarHBondContact O-CB 3.48Å; I410-R414 PolarHBondContact O-N 3.02Å |
| 411 | L | 95.6 | Very high | 95.3 | Very high | 98 Ų | 98 | 107.7 Ų | 107.7 | 51% | 0.513 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 177.1 | -74.2 | 169.1 | 0 | 0 | 0 | 111.7 | R407 Q408 Y413 R414 N415 | R407-L411 WeakPolarHBondContact O-CB 3.46Å; R407-L411 VanDerWaalsContact O-CG 3.29Å; R407-L411 WeakPolarHBondContact O-CG 3.3Å; R407-L411 PolarHBondContact O-N 3.44Å; Q408-L411 PolarHBondContact O-N 3.4Å; L411-Y413 VanDerWaalsContact C-N 3.33Å; L411-Y413 PolarHBondContact O-N 2.95Å; L411-R414 PolarHBondContact O-N 3.04Å; L411-N415 WeakPolarHBondContact O-CB 3.5Å; L411-N415 PolarHBondContact O-N 3.3Å; L411-N415 PolarHBondContact O-ND2 3.3Å; L411-N415 PolarHBondContact O-OD1 3.07Å |
| 412 | T | 95 | Very high | 95.3 | Very high | 85 Ų | 85 | 104 Ų | 104 | 52% | 0.521 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 176.9 | 50.2 | 0 | 0 | 0 | 0 | 112.1 | Q408 N409 G416 | Q408-T412 WeakPolarHBondContact O-CG2 3.46Å; Q408-T412 PolarHBondContact O-N 3.06Å; Q408-T412 PolarHBondContact O-OG1 2.95Å; N409-T412 WeakPolarHBondContact CA-OG1 3.32Å; N409-T412 PolarHBondContact O-N 2.97Å; N409-T412 PolarHBondContact O-OG1 3.41Å; T412-G416 PolarHBondContact O-N 3.37Å |
| 413 | Y | 95.1 | Very high | 95.3 | Very high | 160 Ų | 160 | 102.6 Ų | 102.6 | 63% | 0.627 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.9 | -46.8 | 177.8 | -179 | -105.8 | 0 | 0 | 0 | 111.4 | N409 I410 L411 N415 G416 L417 | N409-Y413 WeakPolarHBondContact O-CB 3.34Å; N409-Y413 PolarHBondContact O-N 3.27Å; I410-Y413 PolarHBondContact O-N 3.43Å; L411-Y413 VanDerWaalsContact C-N 3.33Å; L411-Y413 PolarHBondContact O-N 2.95Å; Y413-N415 PolarHBondContact O-N 3.49Å; Y413-G416 PolarHBondContact O-N 2.88Å; Y413-G416 VanDerWaalsContact O-N 3.15Å; Y413-L417 HydrophobicContact CD1-CD1 3.99Å; Y413-L417 HydrophobicContact CE1-CD1 3.41Å; Y413-L417 VanDerWaalsContact CE1-CD1 3.41Å; Y413-L417 HydrophobicContact CE1-CG 4.16Å; Y413-L417 PolarHBondContact O-N 2.98Å |
| 414 | R | 95.3 | Very high | 95.3 | Very high | 147 Ų | 147 | 104.3 Ų | 104.3 | 56% | 0.555 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -57.9 | -48.8 | 175.6 | 179.2 | -179 | 168.5 | -179.7 | -3.3 | 111.6 | I410 L411 G416 L417 E418 | I410-R414 VanDerWaalsContact O-CB 3.29Å; I410-R414 WeakPolarHBondContact O-CB 3.48Å; I410-R414 PolarHBondContact O-N 3.02Å; L411-R414 PolarHBondContact O-N 3.04Å; R414-G416 PolarHBondContact O-N 2.96Å; R414-L417 PolarHBondContact O-N 3.21Å; R414-E418 HydrophobicContact CG-CG 4.45Å; R414-E418 IonicContact CZ-OE1 2.89Å; R414-E418 IonicContact NE-OE1 2.81Å; R414-E418 PolarHBondContact NE-OE1 2.96Å; R414-E418 IonicContact NH2-OE1 3.79Å; R414-E418 PolarHBondContact NH2-OE1 3.43Å; R414-E418 WeakPolarHBondContact O-CG 3.32Å; R414-E418 PolarHBondContact O-N 3.47Å |
| 415 | N | 96.1 | Very high | 95.3 | Very high | 69 Ų | 69 | 106.8 Ų | 106.8 | 37% | 0.369 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.6 | -35.3 | 177.8 | -69.4 | -9.8 | 0 | 0 | 0 | 111.7 | L411 Y413 R419 | L411-N415 WeakPolarHBondContact O-CB 3.5Å; L411-N415 PolarHBondContact O-N 3.3Å; L411-N415 PolarHBondContact O-ND2 3.3Å; L411-N415 PolarHBondContact O-OD1 3.07Å; Y413-N415 PolarHBondContact O-N 3.49Å; N415-R419 WeakPolarHBondContact O-CG 3.45Å; N415-R419 PolarHBondContact O-N 3.01Å; N415-R419 VanDerWaalsContact O-N 3.1Å |
| 416 | G | 96.8 | Very high | 95.3 | Very high | 25 Ų | 25 | 106.9 Ų | 106.9 | 26% | 0.258 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T412 Y413 R414 R419 Q420 | T412-G416 PolarHBondContact O-N 3.37Å; Y413-G416 PolarHBondContact O-N 2.88Å; Y413-G416 VanDerWaalsContact O-N 3.15Å; R414-G416 PolarHBondContact O-N 2.96Å; G416-R419 PolarHBondContact O-N 2.94Å; G416-Q420 WeakPolarHBondContact O-CG 3.41Å; G416-Q420 PolarHBondContact O-N 2.72Å |
| 417 | L | 94.9 | Very high | 95.3 | Very high | 66 Ų | 66 | 106.7 Ų | 106.7 | 35% | 0.346 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.9 | -43.1 | 176.6 | -70.1 | 178.1 | 0 | 0 | 0 | 112.3 | Y413 R414 R419 Q420 I421 | Y413-L417 HydrophobicContact CD1-CD1 3.99Å; Y413-L417 HydrophobicContact CE1-CD1 3.41Å; Y413-L417 VanDerWaalsContact CE1-CD1 3.41Å; Y413-L417 HydrophobicContact CE1-CG 4.16Å; Y413-L417 PolarHBondContact O-N 2.98Å; R414-L417 PolarHBondContact O-N 3.21Å; L417-R419 VanDerWaalsContact C-N 3.3Å; L417-R419 PolarHBondContact O-N 3.4Å; L417-Q420 PolarHBondContact O-N 3.25Å; L417-I421 WeakPolarHBondContact O-CG1 3.49Å; L417-I421 PolarHBondContact O-N 3.07Å |
| 418 | E | 94.9 | Very high | 95.2 | Very high | 88 Ų | 88 | 105.7 Ų | 105.7 | 41% | 0.411 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.6 | -40.3 | 177.8 | -74.8 | 177.9 | -179.4 | 0 | 0 | 111.5 | R414 I421 A422 | R414-E418 HydrophobicContact CG-CG 4.45Å; R414-E418 IonicContact CZ-OE1 2.89Å; R414-E418 IonicContact NE-OE1 2.81Å; R414-E418 PolarHBondContact NE-OE1 2.96Å; R414-E418 IonicContact NH2-OE1 3.79Å; R414-E418 PolarHBondContact NH2-OE1 3.43Å; R414-E418 WeakPolarHBondContact O-CG 3.32Å; R414-E418 PolarHBondContact O-N 3.47Å; E418-I421 PolarHBondContact O-N 3.39Å; E418-A422 WeakPolarHBondContact O-CB 3.4Å; E418-A422 PolarHBondContact O-N 2.96Å |
| 419 | R | 95.3 | Very high | 95.2 | Very high | 172 Ų | 172 | 107.2 Ų | 107.2 | 65% | 0.649 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.7 | -44.7 | 172.8 | -73.8 | 177 | -167.6 | 145.9 | 1.6 | 112.4 | N415 G416 L417 I421 A422 D423 | N415-R419 WeakPolarHBondContact O-CG 3.45Å; N415-R419 PolarHBondContact O-N 3.01Å; N415-R419 VanDerWaalsContact O-N 3.1Å; G416-R419 PolarHBondContact O-N 2.94Å; L417-R419 VanDerWaalsContact C-N 3.3Å; L417-R419 PolarHBondContact O-N 3.4Å; R419-I421 VanDerWaalsContact C-N 3.32Å; R419-I421 PolarHBondContact O-N 3.42Å; R419-A422 PolarHBondContact O-N 2.95Å; R419-D423 WeakPolarHBondContact O-CB 3.37Å; R419-D423 PolarHBondContact O-N 3.24Å |
| 420 | Q | 95.5 | Very high | 95.1 | Very high | 116 Ų | 116 | 108.1 Ų | 108.1 | 54% | 0.542 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.6 | -41.9 | 177.6 | -73.6 | 178.1 | -3.9 | 0 | 0 | 112 | G416 L417 D423 Q424 | G416-Q420 WeakPolarHBondContact O-CG 3.41Å; G416-Q420 PolarHBondContact O-N 2.72Å; L417-Q420 PolarHBondContact O-N 3.25Å; Q420-D423 PolarHBondContact O-N 3.49Å; Q420-Q424 WeakPolarHBondContact O-CB 3.37Å; Q420-Q424 VanDerWaalsContact O-CG 3.32Å; Q420-Q424 WeakPolarHBondContact O-CG 3.42Å; Q420-Q424 PolarHBondContact O-N 3.31Å |
| 421 | I | 94.4 | Very high | 95 | Very high | 80 Ų | 80 | 107.3 Ų | 107.3 | 41% | 0.41 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 176.3 | -67.2 | 166.9 | 0 | 0 | 0 | 110.5 | L417 E418 R419 Q424 R425 | L417-I421 WeakPolarHBondContact O-CG1 3.49Å; L417-I421 PolarHBondContact O-N 3.07Å; E418-I421 PolarHBondContact O-N 3.39Å; R419-I421 VanDerWaalsContact C-N 3.32Å; R419-I421 PolarHBondContact O-N 3.42Å; I421-Q424 PolarHBondContact O-N 2.95Å; I421-R425 WeakPolarHBondContact O-CG 3.46Å; I421-R425 PolarHBondContact O-N 3.48Å |
| 422 | A | 94.6 | Very high | 94.9 | Very high | 45 Ų | 45 | 105.8 Ų | 105.8 | 37% | 0.372 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.3 | -46.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E418 R419 Q424 R425 I426 | E418-A422 WeakPolarHBondContact O-CB 3.4Å; E418-A422 PolarHBondContact O-N 2.96Å; R419-A422 PolarHBondContact O-N 2.95Å; A422-Q424 VanDerWaalsContact C-N 3.31Å; A422-Q424 PolarHBondContact O-N 2.89Å; A422-R425 WeakPolarHBondContact O-CB 3.39Å; A422-R425 PolarHBondContact O-N 2.93Å; A422-I426 WeakPolarHBondContact O-CG1 3.43Å; A422-I426 PolarHBondContact O-N 2.98Å |
| 423 | D | 95.9 | Very high | 94.9 | Very high | 83 Ų | 83 | 103.6 Ų | 103.6 | 44% | 0.444 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.8 | -36.7 | 177.3 | -75.1 | -5 | 0 | 0 | 0 | 112.4 | R419 Q420 R427 | R419-D423 WeakPolarHBondContact O-CB 3.37Å; R419-D423 PolarHBondContact O-N 3.24Å; Q420-D423 PolarHBondContact O-N 3.49Å; D423-R427 WeakPolarHBondContact O-CB 3.32Å; D423-R427 WeakPolarHBondContact O-CG 3.48Å; D423-R427 PolarHBondContact O-N 3.47Å; D423-R427 VanDerWaalsContact O-N 3.07Å; D423-R427 PolarHBondContact O-NE 2.98Å |
| 424 | Q | 94.5 | Very high | 94.8 | Very high | 121 Ų | 121 | 99.4 Ų | 99.4 | 57% | 0.565 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -66.9 | -42 | 174.2 | -77.9 | 179 | -2.6 | 0 | 0 | 111.6 | Q420 I421 A422 R427 Y428 | Q420-Q424 WeakPolarHBondContact O-CB 3.37Å; Q420-Q424 VanDerWaalsContact O-CG 3.32Å; Q420-Q424 WeakPolarHBondContact O-CG 3.42Å; Q420-Q424 PolarHBondContact O-N 3.31Å; I421-Q424 PolarHBondContact O-N 2.95Å; A422-Q424 VanDerWaalsContact C-N 3.31Å; A422-Q424 PolarHBondContact O-N 2.89Å; Q424-R427 PolarHBondContact O-N 2.93Å; Q424-Y428 WeakPolarHBondContact O-CB 3.5Å; Q424-Y428 PolarHBondContact O-N 3.35Å |
| 425 | R | 95 | Very high | 94.7 | Very high | 170 Ų | 170 | 96.6 Ų | 96.6 | 64% | 0.642 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -62.3 | -43.3 | 176.5 | -73.7 | 174.4 | -179.5 | -169 | 0.4 | 111.8 | I421 A422 Y428 Q429 | I421-R425 WeakPolarHBondContact O-CG 3.46Å; I421-R425 PolarHBondContact O-N 3.48Å; A422-R425 WeakPolarHBondContact O-CB 3.39Å; A422-R425 PolarHBondContact O-N 2.93Å; R425-Y428 PolarHBondContact O-N 2.97Å; R425-Q429 WeakPolarHBondContact O-CB 3.32Å; R425-Q429 WeakPolarHBondContact O-CG 3.46Å; R425-Q429 PolarHBondContact O-N 3.39Å |
| 426 | I | 95.2 | Very high | 94.6 | Very high | 83 Ų | 83 | 99 Ų | 99 | 43% | 0.426 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.6 | -48.3 | 176.6 | -67.4 | 166.5 | 0 | 0 | 0 | 110.2 | A422 Y428 Q429 Q430 | A422-I426 WeakPolarHBondContact O-CG1 3.43Å; A422-I426 PolarHBondContact O-N 2.98Å; I426-Y428 VanDerWaalsContact C-N 3.31Å; I426-Y428 PolarHBondContact O-N 3.15Å; I426-Q429 PolarHBondContact O-N 3.47Å; I426-Q430 HydrophobicContact CG2-CG 4.48Å; I426-Q430 WeakPolarHBondContact O-CG 3.48Å; I426-Q430 PolarHBondContact O-N 3.32Å |
| 427 | R | 94.8 | Very high | 94.3 | Very high | 154 Ų | 154 | 104.8 Ų | 104.8 | 58% | 0.581 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -59.8 | -41.3 | 177.1 | -80.1 | -176.2 | -86.7 | -163.1 | -7.9 | 112.5 | D423 Q424 Q430 L431 | D423-R427 WeakPolarHBondContact O-CB 3.32Å; D423-R427 WeakPolarHBondContact O-CG 3.48Å; D423-R427 PolarHBondContact O-N 3.47Å; D423-R427 VanDerWaalsContact O-N 3.07Å; D423-R427 PolarHBondContact O-NE 2.98Å; Q424-R427 PolarHBondContact O-N 2.93Å; R427-Q430 PolarHBondContact O-N 3.42Å; R427-L431 WeakPolarHBondContact O-CB 3.42Å; R427-L431 PolarHBondContact O-N 3.01Å |
| 428 | Y | 93.9 | Very high | 94.1 | Very high | 154 Ų | 154 | 105.9 Ų | 105.9 | 60% | 0.604 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.9 | -40.9 | 178.1 | -169.3 | -106.3 | 0 | 0 | 0 | 112 | Q424 R425 I426 L431 I432 | Q424-Y428 WeakPolarHBondContact O-CB 3.5Å; Q424-Y428 PolarHBondContact O-N 3.35Å; R425-Y428 PolarHBondContact O-N 2.97Å; I426-Y428 VanDerWaalsContact C-N 3.31Å; I426-Y428 PolarHBondContact O-N 3.15Å; Y428-L431 WeakPolarHBondContact O-CB 3.37Å; Y428-L431 PolarHBondContact O-N 3.45Å; Y428-I432 HydrophobicContact CD1-CD1 3.67Å; Y428-I432 HydrophobicContact CD1-CG1 4.48Å; Y428-I432 HydrophobicContact CE1-CD1 3.39Å; Y428-I432 HydrophobicContact CE1-CG1 4.26Å; Y428-I432 WeakPolarHBondContact O-CG1 3.38Å; Y428-I432 PolarHBondContact O-N 2.86Å |
| 429 | Q | 94.3 | Very high | 93.9 | Very high | 131 Ų | 131 | 106.7 Ų | 106.7 | 61% | 0.612 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.4 | -40.9 | 174.1 | -75.2 | 175.9 | -15 | 0 | 0 | 112.3 | R425 I426 I432 A433 | R425-Q429 WeakPolarHBondContact O-CB 3.32Å; R425-Q429 WeakPolarHBondContact O-CG 3.46Å; R425-Q429 PolarHBondContact O-N 3.39Å; I426-Q429 PolarHBondContact O-N 3.47Å; Q429-I432 PolarHBondContact O-N 3.49Å; Q429-A433 WeakPolarHBondContact O-CB 3.47Å; Q429-A433 PolarHBondContact O-N 2.78Å |
| 430 | Q | 94 | Very high | 93.7 | Very high | 110 Ų | 110 | 104 Ų | 104 | 51% | 0.514 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 173.5 | -74.5 | 173.4 | -17 | 0 | 0 | 111.3 | I426 R427 I432 A433 D434 | I426-Q430 HydrophobicContact CG2-CG 4.48Å; I426-Q430 WeakPolarHBondContact O-CG 3.48Å; I426-Q430 PolarHBondContact O-N 3.32Å; R427-Q430 PolarHBondContact O-N 3.42Å; Q430-I432 VanDerWaalsContact C-N 3.34Å; Q430-I432 PolarHBondContact O-N 3.04Å; Q430-A433 PolarHBondContact O-N 3.3Å; Q430-D434 WeakPolarHBondContact O-CB 3.35Å; Q430-D434 PolarHBondContact O-N 3.06Å |
| 431 | L | 94.7 | Very high | 93.5 | Very high | 96 Ų | 96 | 104 Ų | 104 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.5 | -42.5 | 176.6 | -168.6 | 104 | 0 | 0 | 0 | 112.1 | R427 Y428 D434 N435 | R427-L431 WeakPolarHBondContact O-CB 3.42Å; R427-L431 PolarHBondContact O-N 3.01Å; Y428-L431 WeakPolarHBondContact O-CB 3.37Å; Y428-L431 PolarHBondContact O-N 3.45Å; L431-D434 PolarHBondContact O-N 3.47Å; L431-N435 WeakPolarHBondContact O-CB 3.46Å; L431-N435 PolarHBondContact O-N 3.34Å; L431-N435 PolarHBondContact O-ND2 3.37Å |
| 432 | I | 93.4 | Very high | 93.2 | Very high | 67 Ų | 67 | 104.2 Ų | 104.2 | 34% | 0.344 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.2 | -49.4 | 175.1 | -69.5 | 167.3 | 0 | 0 | 0 | 110.3 | Y428 Q429 Q430 D434 N435 E436 | Y428-I432 HydrophobicContact CD1-CD1 3.67Å; Y428-I432 HydrophobicContact CD1-CG1 4.48Å; Y428-I432 HydrophobicContact CE1-CD1 3.39Å; Y428-I432 HydrophobicContact CE1-CG1 4.26Å; Y428-I432 WeakPolarHBondContact O-CG1 3.38Å; Y428-I432 PolarHBondContact O-N 2.86Å; Q429-I432 PolarHBondContact O-N 3.49Å; Q430-I432 VanDerWaalsContact C-N 3.34Å; Q430-I432 PolarHBondContact O-N 3.04Å; I432-D434 VanDerWaalsContact C-N 3.32Å; I432-D434 PolarHBondContact O-N 3.03Å; I432-N435 PolarHBondContact O-N 2.85Å; I432-E436 HydrophobicContact CG2-CG 4.41Å; I432-E436 WeakPolarHBondContact O-CG 3.47Å; I432-E436 PolarHBondContact O-N 2.93Å |
| 433 | A | 93.6 | Very high | 93 | Very high | 38 Ų | 38 | 108.1 Ų | 108.1 | 31% | 0.314 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.1 | -36 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q429 Q430 R437 | Q429-A433 WeakPolarHBondContact O-CB 3.47Å; Q429-A433 PolarHBondContact O-N 2.78Å; Q430-A433 PolarHBondContact O-N 3.3Å; A433-R437 WeakPolarHBondContact O-CB 3.44Å; A433-R437 VanDerWaalsContact O-CG 3.28Å; A433-R437 WeakPolarHBondContact O-CG 3.38Å; A433-R437 PolarHBondContact O-N 2.95Å |
| 434 | D | 93.6 | Very high | 92.7 | Very high | 72 Ų | 72 | 109.8 Ų | 109.8 | 39% | 0.385 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.6 | -46.2 | 174.3 | -72.1 | -11.6 | 0 | 0 | 0 | 110.9 | Q430 L431 I432 E436 R437 E438 | Q430-D434 WeakPolarHBondContact O-CB 3.35Å; Q430-D434 PolarHBondContact O-N 3.06Å; L431-D434 PolarHBondContact O-N 3.47Å; I432-D434 VanDerWaalsContact C-N 3.32Å; I432-D434 PolarHBondContact O-N 3.03Å; D434-E436 VanDerWaalsContact C-N 3.35Å; D434-E436 PolarHBondContact O-N 3.29Å; D434-R437 PolarHBondContact O-N 2.92Å; D434-R437 IonicContact OD1-CZ 3.49Å; D434-R437 IonicContact OD1-NE 3.69Å; D434-R437 IonicContact OD1-NH2 2.6Å; D434-R437 PolarHBondContact OD1-NH2 2.83Å; D434-E438 WeakPolarHBondContact O-CG 3.17Å; D434-E438 PolarHBondContact O-N 3.39Å |
| 435 | N | 93.2 | Very high | 92.3 | Very high | 89 Ų | 89 | 107.2 Ų | 107.2 | 48% | 0.476 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62 | -41.3 | 175.7 | -74 | -21.4 | 0 | 0 | 0 | 111.9 | L431 I432 E438 L439 | L431-N435 WeakPolarHBondContact O-CB 3.46Å; L431-N435 PolarHBondContact O-N 3.34Å; L431-N435 PolarHBondContact O-ND2 3.37Å; I432-N435 PolarHBondContact O-N 2.85Å; N435-E438 PolarHBondContact O-N 2.82Å; N435-L439 WeakPolarHBondContact O-CB 3.34Å; N435-L439 VanDerWaalsContact O-CG 3.22Å; N435-L439 WeakPolarHBondContact O-CG 3.48Å; N435-L439 PolarHBondContact O-N 3.04Å |
| 436 | E | 93.1 | Very high | 91.8 | Very high | 118 Ų | 118 | 105.2 Ų | 105.2 | 55% | 0.551 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.6 | -42.4 | 175.1 | -75.6 | 174.8 | 174 | 0 | 0 | 111.7 | I432 D434 L439 E440 | I432-E436 HydrophobicContact CG2-CG 4.41Å; I432-E436 WeakPolarHBondContact O-CG 3.47Å; I432-E436 PolarHBondContact O-N 2.93Å; D434-E436 VanDerWaalsContact C-N 3.35Å; D434-E436 PolarHBondContact O-N 3.29Å; E436-L439 PolarHBondContact O-N 3.21Å; E436-E440 PolarHBondContact O-N 2.92Å |
| 437 | R | 92.2 | Very high | 91.4 | Very high | 148 Ų | 148 | 107.1 Ų | 107.1 | 56% | 0.558 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.9 | -42.9 | 175.4 | -76.3 | -171.1 | -70.4 | 178.9 | -5.4 | 112.3 | A433 D434 E440 K441 | A433-R437 WeakPolarHBondContact O-CB 3.44Å; A433-R437 VanDerWaalsContact O-CG 3.28Å; A433-R437 WeakPolarHBondContact O-CG 3.38Å; A433-R437 PolarHBondContact O-N 2.95Å; D434-R437 PolarHBondContact O-N 2.92Å; D434-R437 IonicContact OD1-CZ 3.49Å; D434-R437 IonicContact OD1-NE 3.69Å; D434-R437 IonicContact OD1-NH2 2.6Å; D434-R437 PolarHBondContact OD1-NH2 2.83Å; R437-E440 PolarHBondContact O-N 2.78Å; R437-K441 WeakPolarHBondContact O-CG 3.31Å; R437-K441 PolarHBondContact O-N 3.44Å |
| 438 | E | 90.4 | Very high | 91 | Very high | 89 Ų | 89 | 105.6 Ų | 105.6 | 42% | 0.416 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.1 | -39.9 | 175.7 | -71.9 | -59 | 128.5 | 0 | 0 | 111.5 | D434 N435 E440 K441 N442 | D434-E438 WeakPolarHBondContact O-CG 3.17Å; D434-E438 PolarHBondContact O-N 3.39Å; N435-E438 PolarHBondContact O-N 2.82Å; E438-E440 PolarHBondContact O-N 3.41Å; E438-K441 PolarHBondContact O-N 3.48Å; E438-K441 IonicContact OE1-NZ 2.75Å; E438-K441 PolarHBondContact OE1-NZ 3.41Å; E438-N442 WeakPolarHBondContact O-CB 3.34Å; E438-N442 PolarHBondContact O-N 2.91Å; E438-N442 PolarHBondContact O-ND2 2.85Å |
| 439 | L | 89.7 | Confident | 90.3 | Very high | 105 Ų | 105 | 103.4 Ų | 103.4 | 55% | 0.55 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 173.1 | -75.7 | 170.7 | 0 | 0 | 0 | 112.2 | N435 E436 N442 K443 | N435-L439 WeakPolarHBondContact O-CB 3.34Å; N435-L439 VanDerWaalsContact O-CG 3.22Å; N435-L439 WeakPolarHBondContact O-CG 3.48Å; N435-L439 PolarHBondContact O-N 3.04Å; E436-L439 PolarHBondContact O-N 3.21Å; L439-N442 PolarHBondContact O-N 2.96Å; L439-K443 WeakPolarHBondContact O-CB 3.27Å; L439-K443 WeakPolarHBondContact O-CG 3.42Å; L439-K443 PolarHBondContact O-N 3.45Å |
| 440 | E | 91.9 | Very high | 89.7 | Confident | 116 Ų | 116 | 101.5 Ų | 101.5 | 54% | 0.542 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.3 | -41.6 | 175.4 | -95.8 | -173.9 | 171.6 | 0 | 0 | 112.8 | E436 R437 E438 K443 K444 | E436-E440 PolarHBondContact O-N 2.92Å; R437-E440 PolarHBondContact O-N 2.78Å; E438-E440 PolarHBondContact O-N 3.41Å; E440-K443 PolarHBondContact O-N 3.48Å; E440-K444 WeakPolarHBondContact O-CG 3.37Å; E440-K444 PolarHBondContact O-N 3.25Å |
| 441 | K | 90.9 | Very high | 89.1 | Confident | 116 Ų | 116 | 102.2 Ų | 102.2 | 50% | 0.504 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.6 | -48.1 | 173.8 | -74.2 | 175.4 | -170.1 | 169.2 | 0 | 110.6 | R437 E438 K443 K444 T445 | R437-K441 WeakPolarHBondContact O-CG 3.31Å; R437-K441 PolarHBondContact O-N 3.44Å; E438-K441 PolarHBondContact O-N 3.48Å; E438-K441 IonicContact OE1-NZ 2.75Å; E438-K441 PolarHBondContact OE1-NZ 3.41Å; K441-K443 VanDerWaalsContact C-N 3.34Å; K441-K443 PolarHBondContact O-N 2.96Å; K441-K444 PolarHBondContact O-N 2.88Å; K441-T445 WeakPolarHBondContact O-CG2 3.38Å; K441-T445 PolarHBondContact O-N 3.42Å; K441-T445 PolarHBondContact O-OG1 3.26Å |
| 442 | N | 88.7 | Confident | 88.3 | Confident | 84 Ų | 84 | 102.5 Ų | 102.5 | 45% | 0.449 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.2 | -45.4 | 178.7 | -71.8 | -15.8 | 0 | 0 | 0 | 111.2 | E438 L439 K444 T445 E446 | E438-N442 WeakPolarHBondContact O-CB 3.34Å; E438-N442 PolarHBondContact O-N 2.91Å; E438-N442 PolarHBondContact O-ND2 2.85Å; L439-N442 PolarHBondContact O-N 2.96Å; N442-K444 PolarHBondContact O-N 3.33Å; N442-T445 WeakPolarHBondContact CA-OG1 3.37Å; N442-T445 PolarHBondContact O-N 3.48Å; N442-T445 PolarHBondContact O-OG1 3.03Å; N442-E446 WeakPolarHBondContact O-CB 3.2Å; N442-E446 WeakPolarHBondContact O-CG 3.46Å; N442-E446 PolarHBondContact O-N 2.98Å |
| 443 | K | 90 | Very high | 87.4 | Confident | 127 Ų | 127 | 103.6 Ų | 103.6 | 55% | 0.552 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.3 | -47.4 | 174.1 | -78.5 | -179.9 | 177.7 | -177.1 | 0 | 112.5 | L439 E440 K441 T445 E446 E447 | L439-K443 WeakPolarHBondContact O-CB 3.27Å; L439-K443 WeakPolarHBondContact O-CG 3.42Å; L439-K443 PolarHBondContact O-N 3.45Å; E440-K443 PolarHBondContact O-N 3.48Å; K441-K443 VanDerWaalsContact C-N 3.34Å; K441-K443 PolarHBondContact O-N 2.96Å; K443-T445 VanDerWaalsContact C-N 3.34Å; K443-T445 PolarHBondContact O-N 3.21Å; K443-E446 PolarHBondContact O-N 3.34Å; K443-E447 WeakPolarHBondContact O-CB 3.33Å; K443-E447 WeakPolarHBondContact O-CG 3.37Å; K443-E447 PolarHBondContact O-N 3.47Å |
| 444 | K | 90.3 | Very high | 86.6 | Confident | 118 Ų | 118 | 106.7 Ų | 106.7 | 51% | 0.513 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63 | -39.5 | 178 | -73.9 | 174.5 | -176.6 | 172.2 | 0 | 112.2 | E440 K441 N442 E447 Q448 | E440-K444 WeakPolarHBondContact O-CG 3.37Å; E440-K444 PolarHBondContact O-N 3.25Å; K441-K444 PolarHBondContact O-N 2.88Å; N442-K444 PolarHBondContact O-N 3.33Å; K444-E447 PolarHBondContact O-N 2.96Å; K444-Q448 WeakPolarHBondContact O-CB 3.36Å; K444-Q448 VanDerWaalsContact O-CG 3.28Å; K444-Q448 WeakPolarHBondContact O-CG 3.5Å; K444-Q448 PolarHBondContact O-N 2.95Å |
| 445 | T | 85.8 | Confident | 85.7 | Confident | 67 Ų | 67 | 107.4 Ų | 107.4 | 41% | 0.411 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.1 | -36.8 | 176 | 52.5 | 0 | 0 | 0 | 0 | 112.1 | K441 N442 K443 L449 | K441-T445 WeakPolarHBondContact O-CG2 3.38Å; K441-T445 PolarHBondContact O-N 3.42Å; K441-T445 PolarHBondContact O-OG1 3.26Å; N442-T445 WeakPolarHBondContact CA-OG1 3.37Å; N442-T445 PolarHBondContact O-N 3.48Å; N442-T445 PolarHBondContact O-OG1 3.03Å; K443-T445 VanDerWaalsContact C-N 3.34Å; K443-T445 PolarHBondContact O-N 3.21Å; T445-L449 VanDerWaalsContact O-CB 3.32Å; T445-L449 WeakPolarHBondContact O-CB 3.29Å; T445-L449 VanDerWaalsContact O-CG 3.27Å; T445-L449 WeakPolarHBondContact O-CG 3.28Å; T445-L449 PolarHBondContact O-N 3.48Å |
| 446 | E | 84.9 | Confident | 84.6 | Confident | 127 Ų | 127 | 107.1 Ų | 107.1 | 59% | 0.593 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.5 | -46.5 | 172.1 | -78.4 | -176.4 | 163.5 | 0 | 0 | 110.8 | N442 K443 L449 T450 | N442-E446 WeakPolarHBondContact O-CB 3.2Å; N442-E446 WeakPolarHBondContact O-CG 3.46Å; N442-E446 PolarHBondContact O-N 2.98Å; K443-E446 PolarHBondContact O-N 3.34Å; E446-L449 PolarHBondContact O-N 2.88Å; E446-T450 WeakPolarHBondContact O-CG2 3.42Å; E446-T450 PolarHBondContact O-N 2.96Å; E446-T450 PolarHBondContact O-OG1 2.98Å |
| 447 | E | 86.8 | Confident | 83.2 | Confident | 124 Ų | 124 | 102.6 Ų | 102.6 | 58% | 0.579 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -58.2 | -50.2 | 175.7 | -74.8 | 169.8 | -177 | 0 | 0 | 111.2 | K443 K444 L449 T450 E451 | K443-E447 WeakPolarHBondContact O-CB 3.33Å; K443-E447 WeakPolarHBondContact O-CG 3.37Å; K443-E447 PolarHBondContact O-N 3.47Å; K444-E447 PolarHBondContact O-N 2.96Å; E447-L449 VanDerWaalsContact C-N 3.33Å; E447-L449 PolarHBondContact O-N 2.96Å; E447-T450 WeakPolarHBondContact CA-OG1 3.31Å; E447-T450 PolarHBondContact O-N 3.49Å; E447-T450 VanDerWaalsContact O-N 3.14Å; E447-T450 PolarHBondContact O-OG1 3.23Å; E447-E451 WeakPolarHBondContact O-CB 3.39Å; E447-E451 PolarHBondContact O-N 3.22Å |
| 448 | Q | 85 | Confident | 81.6 | Confident | 121 Ų | 121 | 101.4 Ų | 101.4 | 57% | 0.565 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.3 | -40.6 | 176.5 | -75.3 | 176.5 | -7.9 | 0 | 0 | 112.7 | K444 E451 L452 | K444-Q448 WeakPolarHBondContact O-CB 3.36Å; K444-Q448 VanDerWaalsContact O-CG 3.28Å; K444-Q448 WeakPolarHBondContact O-CG 3.5Å; K444-Q448 PolarHBondContact O-N 2.95Å; Q448-E451 PolarHBondContact O-N 3.34Å; Q448-L452 WeakPolarHBondContact O-CB 3.5Å; Q448-L452 WeakPolarHBondContact O-CG 3.47Å; Q448-L452 PolarHBondContact O-N 2.93Å |
| 449 | L | 80.4 | Confident | 79.9 | Confident | 108 Ų | 108 | 99.5 Ų | 99.5 | 57% | 0.565 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.7 | -44.8 | 174.1 | -80.3 | 167.3 | 0 | 0 | 0 | 111 | T445 E446 E447 E451 L452 V453 | T445-L449 VanDerWaalsContact O-CB 3.32Å; T445-L449 WeakPolarHBondContact O-CB 3.29Å; T445-L449 VanDerWaalsContact O-CG 3.27Å; T445-L449 WeakPolarHBondContact O-CG 3.28Å; T445-L449 PolarHBondContact O-N 3.48Å; E446-L449 PolarHBondContact O-N 2.88Å; E447-L449 VanDerWaalsContact C-N 3.33Å; E447-L449 PolarHBondContact O-N 2.96Å; L449-E451 VanDerWaalsContact C-N 3.31Å; L449-E451 PolarHBondContact O-N 3.41Å; L449-L452 PolarHBondContact O-N 3.33Å; L449-V453 WeakPolarHBondContact O-CB 3.38Å; L449-V453 WeakPolarHBondContact O-CG2 3.49Å; L449-V453 PolarHBondContact O-N 3.22Å |
| 450 | T | 80.8 | Confident | 78.2 | Confident | 92 Ų | 92 | 101.4 Ų | 101.4 | 56% | 0.564 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.5 | -37.7 | 177.1 | 57.3 | 0 | 0 | 0 | 0 | 112.1 | E446 E447 V453 H454 | E446-T450 WeakPolarHBondContact O-CG2 3.42Å; E446-T450 PolarHBondContact O-N 2.96Å; E446-T450 PolarHBondContact O-OG1 2.98Å; E447-T450 WeakPolarHBondContact CA-OG1 3.31Å; E447-T450 PolarHBondContact O-N 3.49Å; E447-T450 VanDerWaalsContact O-N 3.14Å; E447-T450 PolarHBondContact O-OG1 3.23Å; T450-V453 PolarHBondContact O-N 2.98Å; T450-H454 VanDerWaalsContact O-CB 3.25Å; T450-H454 WeakPolarHBondContact O-CB 3.32Å; T450-H454 PolarHBondContact O-N 3.46Å |
| 451 | E | 81.2 | Confident | 76.2 | Confident | 125 Ų | 125 | 103.7 Ų | 103.7 | 58% | 0.584 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -72.9 | -40 | 179 | -161.4 | 172.4 | -147.4 | 0 | 0 | 111.8 | E447 Q448 L449 H454 N455 | E447-E451 WeakPolarHBondContact O-CB 3.39Å; E447-E451 PolarHBondContact O-N 3.22Å; Q448-E451 PolarHBondContact O-N 3.34Å; L449-E451 VanDerWaalsContact C-N 3.31Å; L449-E451 PolarHBondContact O-N 3.41Å; E451-H454 PolarHBondContact O-N 2.94Å; E451-N455 WeakPolarHBondContact O-CB 3.47Å; E451-N455 VanDerWaalsContact O-CG 3.22Å; E451-N455 PolarHBondContact O-N 2.88Å; E451-N455 PolarHBondContact O-ND2 2.89Å |
| 452 | L | 77.6 | Confident | 74.2 | Confident | 102 Ų | 102 | 104 Ų | 104 | 53% | 0.534 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.4 | -45.6 | 170.2 | -82.8 | 167.6 | 0 | 0 | 0 | 111.7 | Q448 L449 H454 N455 I456 | Q448-L452 WeakPolarHBondContact O-CB 3.5Å; Q448-L452 WeakPolarHBondContact O-CG 3.47Å; Q448-L452 PolarHBondContact O-N 2.93Å; L449-L452 PolarHBondContact O-N 3.33Å; L452-H454 VanDerWaalsContact C-N 3.32Å; L452-H454 PolarHBondContact O-N 2.98Å; L452-N455 PolarHBondContact O-N 3.33Å; L452-I456 WeakPolarHBondContact O-CB 3.25Å; L452-I456 VanDerWaalsContact O-CG1 3.24Å; L452-I456 WeakPolarHBondContact O-CG1 3.33Å; L452-I456 PolarHBondContact O-N 3.39Å |
| 453 | V | 75.6 | Confident | 72.2 | Confident | 89 Ų | 89 | 105.3 Ų | 105.3 | 54% | 0.539 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.4 | -46.7 | 175.2 | 167.4 | 0 | 0 | 0 | 0 | 109.8 | L449 T450 N455 I456 V457 | L449-V453 WeakPolarHBondContact O-CB 3.38Å; L449-V453 WeakPolarHBondContact O-CG2 3.49Å; L449-V453 PolarHBondContact O-N 3.22Å; T450-V453 PolarHBondContact O-N 2.98Å; V453-N455 PolarHBondContact O-N 3.45Å; V453-I456 PolarHBondContact O-N 3.41Å; V453-V457 HydrophobicContact CG1-CG2 4.35Å; V453-V457 VanDerWaalsContact O-CB 3.29Å; V453-V457 WeakPolarHBondContact O-CB 3.28Å; V453-V457 WeakPolarHBondContact O-CG2 3.34Å; V453-V457 PolarHBondContact O-N 3.37Å |
| 454 | H | 77.1 | Confident | 70.7 | Confident | 103 Ų | 103 | 109.1 Ų | 109.1 | 48% | 0.477 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -58 | -49.5 | 175 | -176.5 | -81.9 | 0 | 0 | 0 | 111.3 | T450 E451 L452 I456 V457 Y458 | T450-H454 VanDerWaalsContact O-CB 3.25Å; T450-H454 WeakPolarHBondContact O-CB 3.32Å; T450-H454 PolarHBondContact O-N 3.46Å; E451-H454 PolarHBondContact O-N 2.94Å; L452-H454 VanDerWaalsContact C-N 3.32Å; L452-H454 PolarHBondContact O-N 2.98Å; H454-I456 PolarHBondContact O-N 3Å; H454-V457 PolarHBondContact O-N 3.07Å; H454-Y458 HydrophobicContact CB-CD2 4.41Å; H454-Y458 AromaticContact CD2-CD2 3.42Å; H454-Y458 VanDerWaalsContact CD2-CD2 3.42Å; H454-Y458 WeakPolarHBondContact CD2-CD2 3.27Å; H454-Y458 AromaticContact CD2-CE2 3.45Å; H454-Y458 VanDerWaalsContact CD2-CE2 3.45Å; H454-Y458 WeakPolarHBondContact CD2-CE2 3.39Å; H454-Y458 AromaticContact CE1-CD2 3.62Å; H454-Y458 AromaticContact CG-CD2 3.63Å; H454-Y458 AromaticContact ND1-CD2 3.77Å; H454-Y458 AromaticContact NE2-CD2 3.4Å; H454-Y458 WeakPolarHBondContact NE2-CD2 3.47Å; H454-Y458 AromaticContact NE2-CE2 3.64Å; H454-Y458 WeakPolarHBondContact O-CB 3.49Å; H454-Y458 WeakPolarHBondContact O-CD2 3.35Å; H454-Y458 PolarHBondContact O-N 3.44Å |
| 455 | N | 75.1 | Confident | 69 | Low | 87 Ų | 87 | 110.8 Ų | 110.8 | 47% | 0.465 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.3 | -38.4 | -179.5 | -72.7 | -19.4 | 0 | 0 | 0 | 112.8 | E451 L452 V453 V457 S459 | E451-N455 WeakPolarHBondContact O-CB 3.47Å; E451-N455 VanDerWaalsContact O-CG 3.22Å; E451-N455 PolarHBondContact O-N 2.88Å; E451-N455 PolarHBondContact O-ND2 2.89Å; L452-N455 PolarHBondContact O-N 3.33Å; V453-N455 PolarHBondContact O-N 3.45Å; N455-V457 VanDerWaalsContact C-N 3.34Å; N455-S459 WeakPolarHBondContact O-CA 3.47Å; N455-S459 WeakPolarHBondContact O-CB 3.43Å; N455-S459 PolarHBondContact O-N 2.86Å; N455-S459 PolarHBondContact O-OG 3.3Å |
| 456 | I | 68.4 | Low | 67.5 | Low | 83 Ų | 83 | 109.6 Ų | 109.6 | 43% | 0.426 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.1 | -40.3 | 175.1 | -70.3 | 166.3 | 0 | 0 | 0 | 110.8 | L452 V453 H454 R466 Q470 | L452-I456 WeakPolarHBondContact O-CB 3.25Å; L452-I456 VanDerWaalsContact O-CG1 3.24Å; L452-I456 WeakPolarHBondContact O-CG1 3.33Å; L452-I456 PolarHBondContact O-N 3.39Å; V453-I456 PolarHBondContact O-N 3.41Å; H454-I456 PolarHBondContact O-N 3Å; I456-R466 PolarHBondContact O-NH2 3.18Å; I456-Q470 HydrophobicContact CG2-CG 4.28Å |
| 457 | V | 63.8 | Low | 66.1 | Low | 23 Ų | 23 | 109.3 Ų | 109.3 | 14% | 0.139 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -69 | -38.7 | 178.8 | 171.1 | 0 | 0 | 0 | 0 | 111.8 | V453 H454 N455 R466 L473 | V453-V457 HydrophobicContact CG1-CG2 4.35Å; V453-V457 VanDerWaalsContact O-CB 3.29Å; V453-V457 WeakPolarHBondContact O-CB 3.28Å; V453-V457 WeakPolarHBondContact O-CG2 3.34Å; V453-V457 PolarHBondContact O-N 3.37Å; H454-V457 PolarHBondContact O-N 3.07Å; N455-V457 VanDerWaalsContact C-N 3.34Å; V457-R466 PolarHBondContact O-NH2 2.91Å; V457-L473 HydrophobicContact CG1-CB 3.66Å; V457-L473 HydrophobicContact CG1-CD1 3.66Å; V457-L473 HydrophobicContact CG1-CG 4.22Å; V457-L473 HydrophobicContact CG2-CD1 4.11Å |
| 458 | Y | 58.8 | Low | 65 | Low | 124 Ų | 124 | 107.8 Ų | 107.8 | 49% | 0.486 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -114.5 | -1.3 | -169.3 | -60 | -70 | 0 | 0 | 0 | 115.9 | H454 | H454-Y458 HydrophobicContact CB-CD2 4.41Å; H454-Y458 AromaticContact CD2-CD2 3.42Å; H454-Y458 VanDerWaalsContact CD2-CD2 3.42Å; H454-Y458 WeakPolarHBondContact CD2-CD2 3.27Å; H454-Y458 AromaticContact CD2-CE2 3.45Å; H454-Y458 VanDerWaalsContact CD2-CE2 3.45Å; H454-Y458 WeakPolarHBondContact CD2-CE2 3.39Å; H454-Y458 AromaticContact CE1-CD2 3.62Å; H454-Y458 AromaticContact CG-CD2 3.63Å; H454-Y458 AromaticContact ND1-CD2 3.77Å; H454-Y458 AromaticContact NE2-CD2 3.4Å; H454-Y458 WeakPolarHBondContact NE2-CD2 3.47Å; H454-Y458 AromaticContact NE2-CE2 3.64Å; H454-Y458 WeakPolarHBondContact O-CB 3.49Å; H454-Y458 WeakPolarHBondContact O-CD2 3.35Å; H454-Y458 PolarHBondContact O-N 3.44Å |
| 459 | S | 56.4 | Low | 63.7 | Low | 49 Ų | 49 | 109.4 Ų | 109.4 | 34% | 0.343 | 55% | 0.55 | S | S | . | . | trans | -65.7 | 140.5 | 175.2 | 49.3 | 0 | 0 | 0 | 0 | 111.8 | N455 R466 | N455-S459 WeakPolarHBondContact O-CA 3.47Å; N455-S459 WeakPolarHBondContact O-CB 3.43Å; N455-S459 PolarHBondContact O-N 2.86Å; N455-S459 PolarHBondContact O-OG 3.3Å; S459-R466 PolarHBondContact O-NH1 3.06Å; S459-R466 PolarHBondContact O-NH2 3.39Å | ||
| 460 | N | 52.2 | Low | 62.3 | Low | 144 Ų | 144 | 107 Ų | 107 | 77% | 0.77 | 54% | 0.535 | S | S | * | . | trans | -99.7 | 13.5 | -177.3 | -77.4 | -25.5 | 0 | 0 | 0 | 113.3 | ||||
| 461 | E | 50.2 | Low | 61.2 | Low | 164 Ų | 164 | 108.2 Ų | 108.2 | 77% | 0.766 | 53% | 0.533 | S | S | * | . | trans | -78.6 | 126.6 | 174.3 | -68.8 | -176.9 | 176.2 | 0 | 0 | 109.9 | D463 | E461-D463 VanDerWaalsContact C-N 3.25Å; E461-D463 PolarHBondContact O-N 2.94Å | ||
| 462 | T | 48.6 | Very low | 60 | Low | 124 Ų | 124 | 106.4 Ų | 106.4 | 76% | 0.761 | 53% | 0.527 | S | S | * | . | trans | -73.8 | 75.3 | -177 | 47.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 463 | D | 47.8 | Very low | 59 | Low | 110 Ų | 110 | 104.4 Ų | 104.4 | 59% | 0.588 | 52% | 0.516 | S | S | * | . | trans | -82.2 | 119.6 | 167.1 | -162.3 | -10 | 0 | 0 | 0 | 109.5 | E461 N465 R466 | E461-D463 VanDerWaalsContact C-N 3.25Å; E461-D463 PolarHBondContact O-N 2.94Å; D463-N465 PolarHBondContact O-N 3.4Å; D463-R466 WeakPolarHBondContact O-CB 3.1Å; D463-R466 PolarHBondContact O-N 2.7Å | ||
| 464 | Y | 57.3 | Low | 58 | Low | 208 Ų | 208 | 101.9 Ų | 101.9 | 82% | 0.816 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -16.2 | -174 | -75.6 | -89.5 | 0 | 0 | 0 | 113 | ||
| 465 | N | 56.4 | Low | 57 | Low | 152 Ų | 152 | 101.8 Ų | 101.8 | 81% | 0.813 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 16.6 | 178.1 | -78.9 | -22.5 | 0 | 0 | 0 | 114.7 | D463 H467 | D463-N465 PolarHBondContact O-N 3.4Å; N465-H467 PolarHBondContact O-N 2.87Å |
| 466 | R | 52.5 | Low | 55.7 | Low | 43 Ų | 43 | 100.8 Ų | 100.8 | 16% | 0.162 | 52% | 0.522 | C | S | . | . | trans | -57.4 | 130.3 | -179.5 | -142.7 | 175.9 | -177.6 | 178.6 | 2.4 | 112.5 | I456 V457 S459 D463 Q470 K471 | I456-R466 PolarHBondContact O-NH2 3.18Å; V457-R466 PolarHBondContact O-NH2 2.91Å; S459-R466 PolarHBondContact O-NH1 3.06Å; S459-R466 PolarHBondContact O-NH2 3.39Å; D463-R466 WeakPolarHBondContact O-CB 3.1Å; D463-R466 PolarHBondContact O-N 2.7Å; R466-Q470 HydrophobicContact CG-CB 3.79Å; R466-Q470 VanDerWaalsContact CG-OE1 3.24Å; R466-K471 HydrophobicContact CB-CG 4.34Å | ||
| 467 | H | 56.9 | Low | 54.4 | Low | 120 Ų | 120 | 103.9 Ų | 103.9 | 56% | 0.556 | 54% | 0.535 | S | S | * | . | trans | -60.2 | 141.2 | 179.6 | -163.9 | -93.9 | 0 | 0 | 0 | 110 | N465 W469 Q470 K471 | N465-H467 PolarHBondContact O-N 2.87Å; H467-W469 PolarHBondContact O-N 3.45Å; H467-Q470 HydrophobicContact CB-CG 4.32Å; H467-Q470 WeakPolarHBondContact O-CB 3.45Å; H467-Q470 PolarHBondContact O-N 3.41Å; H467-K471 PolarHBondContact O-N 2.9Å | ||
| 468 | P | 62.8 | Low | 53.3 | Low | 93 Ų | 93 | 113.8 Ų | 113.8 | 60% | 0.604 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -52.4 | -34.9 | -174.2 | -27.5 | 33 | 0 | 0 | 0 | 114.2 | K471 L472 | P468-K471 PolarHBondContact O-N 3.21Å; P468-L472 PolarHBondContact O-N 3.35Å |
| 469 | W | 57.4 | Low | 52.6 | Low | 155 Ų | 155 | 113.6 Ų | 113.6 | 59% | 0.587 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65 | -36.5 | 176.7 | -112.9 | 66.9 | 0 | 0 | 0 | 114 | H467 L472 L473 I480 | H467-W469 PolarHBondContact O-N 3.45Å; W469-L472 WeakPolarHBondContact O-CB 3.38Å; W469-L472 PolarHBondContact O-N 2.98Å; W469-L473 HydrophobicContact CE3-CD1 4.13Å; W469-L473 HydrophobicContact CZ3-CD1 4.43Å; W469-L473 PolarHBondContact O-N 2.88Å; W469-I480 HydrophobicContact CH2-CD1 4.21Å; W469-I480 HydrophobicContact CZ2-CD1 4.25Å |
| 470 | Q | 52.1 | Low | 52.1 | Low | 56 Ų | 56 | 115.7 Ų | 115.7 | 26% | 0.262 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -70 | -35 | 178.7 | -69.3 | 165.2 | -15.9 | 0 | 0 | 111.5 | I456 R466 H467 L472 A474 | I456-Q470 HydrophobicContact CG2-CG 4.28Å; R466-Q470 HydrophobicContact CG-CB 3.79Å; R466-Q470 VanDerWaalsContact CG-OE1 3.24Å; H467-Q470 HydrophobicContact CB-CG 4.32Å; H467-Q470 WeakPolarHBondContact O-CB 3.45Å; H467-Q470 PolarHBondContact O-N 3.41Å; Q470-L472 VanDerWaalsContact C-N 3.3Å; Q470-L472 PolarHBondContact O-N 3.4Å; Q470-A474 WeakPolarHBondContact O-CB 3.43Å; Q470-A474 PolarHBondContact O-N 2.89Å |
| 471 | K | 56.3 | Low | 51.7 | Low | 118 Ų | 118 | 114.4 Ų | 114.4 | 51% | 0.513 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65 | -34.5 | 172 | -77 | -176.1 | 177.3 | 173.4 | 0 | 112.4 | R466 H467 P468 T475 | R466-K471 HydrophobicContact CB-CG 4.34Å; H467-K471 PolarHBondContact O-N 2.9Å; P468-K471 PolarHBondContact O-N 3.21Å; K471-T475 WeakPolarHBondContact O-CG2 3.45Å; K471-T475 PolarHBondContact O-N 3.44Å; K471-T475 PolarHBondContact O-OG1 3.49Å |
| 472 | L | 56.5 | Low | 51.5 | Low | 88 Ų | 88 | 112.1 Ų | 112.1 | 46% | 0.461 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -69.7 | -40.6 | -178.6 | -111.8 | 151.6 | 0 | 0 | 0 | 112.3 | P468 W469 Q470 T475 | P468-L472 PolarHBondContact O-N 3.35Å; W469-L472 WeakPolarHBondContact O-CB 3.38Å; W469-L472 PolarHBondContact O-N 2.98Å; Q470-L472 VanDerWaalsContact C-N 3.3Å; Q470-L472 PolarHBondContact O-N 3.4Å; L472-T475 PolarHBondContact O-OG1 3.32Å |
| 473 | L | 56.5 | Low | 51.4 | Low | 59 Ų | 59 | 115.3 Ų | 115.3 | 31% | 0.309 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -73.9 | -41.1 | 178.7 | -69.3 | 166.5 | 0 | 0 | 0 | 112.4 | V457 W469 T475 G476 | V457-L473 HydrophobicContact CG1-CB 3.66Å; V457-L473 HydrophobicContact CG1-CD1 3.66Å; V457-L473 HydrophobicContact CG1-CG 4.22Å; V457-L473 HydrophobicContact CG2-CD1 4.11Å; W469-L473 HydrophobicContact CE3-CD1 4.13Å; W469-L473 HydrophobicContact CZ3-CD1 4.43Å; W469-L473 PolarHBondContact O-N 2.88Å; L473-T475 VanDerWaalsContact C-N 3.27Å; L473-T475 PolarHBondContact O-N 3.43Å; L473-G476 PolarHBondContact O-N 3.22Å |
| 474 | A | 55.9 | Low | 51.4 | Low | 37 Ų | 37 | 116.9 Ų | 116.9 | 31% | 0.306 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.4 | -27.6 | 180 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q470 G476 | Q470-A474 WeakPolarHBondContact O-CB 3.43Å; Q470-A474 PolarHBondContact O-N 2.89Å; A474-G476 PolarHBondContact O-N 2.99Å |
| 475 | T | 56.2 | Low | 50.8 | Low | 100 Ų | 100 | 108.3 Ų | 108.3 | 61% | 0.613 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | 9 | -179.8 | 46.6 | 0 | 0 | 0 | 0 | 113.9 | K471 L472 L473 H477 | K471-T475 WeakPolarHBondContact O-CG2 3.45Å; K471-T475 PolarHBondContact O-N 3.44Å; K471-T475 PolarHBondContact O-OG1 3.49Å; L472-T475 PolarHBondContact O-OG1 3.32Å; L473-T475 VanDerWaalsContact C-N 3.27Å; L473-T475 PolarHBondContact O-N 3.43Å; T475-H477 VanDerWaalsContact C-N 3.26Å; T475-H477 PolarHBondContact O-N 3.08Å |
| 476 | G | 47.6 | Very low | 50 | Low | 66 Ų | 66 | 109 Ų | 109 | 68% | 0.68 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.5 | 28.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L473 A474 | L473-G476 PolarHBondContact O-N 3.22Å; A474-G476 PolarHBondContact O-N 2.99Å |
| 477 | H | 40.4 | Very low | 49.6 | Very low | 149 Ų | 149 | 113.1 Ų | 113.1 | 69% | 0.69 | 59% | 0.591 | S | S | * | * | trans | -66.4 | 138.3 | 174.5 | -103.9 | -66.2 | 0 | 0 | 0 | 111.1 | T475 | T475-H477 VanDerWaalsContact C-N 3.26Å; T475-H477 PolarHBondContact O-N 3.08Å | ||
| 478 | R | 40.5 | Very low | 49 | Very low | 230 Ų | 230 | 115.1 Ų | 115.1 | 87% | 0.868 | 60% | 0.6 | S | S | * | * | trans | -41.5 | 145.6 | 176.5 | -81.6 | -175.6 | -177.6 | -151.4 | 0.6 | 112.6 | I480 | R478-I480 PolarHBondContact O-N 2.95Š| ||
| 479 | P | 43.2 | Very low | 48.2 | Very low | 121 Ų | 121 | 117.4 Ų | 117.4 | 79% | 0.786 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 127.6 | -162.2 | 23.5 | -33.3 | 0 | 0 | 0 | 111.5 | ||
| 480 | I | 46.2 | Very low | 47.5 | Very low | 92 Ų | 92 | 113.9 Ų | 113.9 | 47% | 0.472 | 61% | 0.605 | S | S | . | * | P | Polyproline II helix | trans | -55.8 | 132.3 | 160.3 | -60.8 | 169.7 | 0 | 0 | 0 | 106.1 | W469 R478 V482 | W469-I480 HydrophobicContact CH2-CD1 4.21Å; W469-I480 HydrophobicContact CZ2-CD1 4.25Å; R478-I480 PolarHBondContact O-N 2.95Å; I480-V482 PolarHBondContact O-N 3.22Å; I480-V482 VanDerWaalsContact O-N 3.1Å |
| 481 | P | 44.8 | Very low | 47.5 | Very low | 117 Ų | 117 | 121 Ų | 121 | 76% | 0.76 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 123.6 | 179.4 | 18.9 | -30.4 | 0 | 0 | 0 | 109.6 | W483 | P481-W483 PolarHBondContact O-N 2.91Š|
| 482 | V | 45.6 | Very low | 47.4 | Very low | 117 Ų | 117 | 124.4 Ų | 124.4 | 71% | 0.709 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 123.9 | 167.3 | 178.6 | 0 | 0 | 0 | 0 | 105.6 | I480 D484 | I480-V482 PolarHBondContact O-N 3.22Å; I480-V482 VanDerWaalsContact O-N 3.1Å; V482-D484 VanDerWaalsContact C-N 3.31Å; V482-D484 PolarHBondContact O-N 3.37Å |
| 483 | W | 45.7 | Very low | 47 | Very low | 191 Ų | 191 | 124.7 Ų | 124.7 | 72% | 0.723 | 67% | 0.666 | S | S | * | * | trans | -70.3 | 98.2 | 171.2 | -175.5 | 70.5 | 0 | 0 | 0 | 106.5 | P481 G485 L487 | P481-W483 PolarHBondContact O-N 2.91Å; W483-G485 VanDerWaalsContact CZ3-O 3.3Å; W483-G485 WeakPolarHBondContact CZ3-O 3.47Å; W483-G485 PolarHBondContact O-N 3.07Å; W483-L487 HydrophobicContact CH2-CG 4.45Å; W483-L487 HydrophobicContact CZ3-CD1 4.3Å; W483-L487 HydrophobicContact CZ3-CG 4.47Å | ||
| 484 | D | 49.2 | Very low | 46.5 | Very low | 143 Ų | 143 | 127.8 Ų | 127.8 | 77% | 0.765 | 69% | 0.692 | S | S | * | * | trans | -71 | 21.3 | 170.4 | -54.5 | -14.3 | 0 | 0 | 0 | 111.4 | V482 E486 | V482-D484 VanDerWaalsContact C-N 3.31Å; V482-D484 PolarHBondContact O-N 3.37Å; D484-E486 VanDerWaalsContact C-N 3.33Å; D484-E486 PolarHBondContact O-N 2.9Å | ||
| 485 | G | 43.3 | Very low | 46 | Very low | 28 Ų | 28 | 130 Ų | 130 | 29% | 0.289 | 71% | 0.71 | S | S | . | * | trans | -60.1 | 101.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | W483 L487 | W483-G485 VanDerWaalsContact CZ3-O 3.3Å; W483-G485 WeakPolarHBondContact CZ3-O 3.47Å; W483-G485 PolarHBondContact O-N 3.07Å; G485-L487 VanDerWaalsContact C-N 3.26Å; G485-L487 PolarHBondContact O-N 3.23Å | ||
| 486 | E | 40.6 | Very low | 45.1 | Very low | 166 Ų | 166 | 136.3 Ų | 136.3 | 78% | 0.776 | 72% | 0.723 | S | S | * | * | trans | -44.9 | 105.6 | 147.1 | -73.5 | -177.1 | 159.9 | 0 | 0 | 105.7 | D484 Q488 | D484-E486 VanDerWaalsContact C-N 3.33Å; D484-E486 PolarHBondContact O-N 2.9Å; E486-Q488 PolarHBondContact O-N 3.24Å | ||
| 487 | L | 44.5 | Very low | 45.1 | Very low | 130 Ų | 130 | 146.3 Ų | 146.3 | 68% | 0.681 | 75% | 0.748 | S | S | * | * | trans | -57.2 | 95.8 | 157.5 | -110.6 | 135 | 0 | 0 | 0 | 103.8 | W483 G485 I489 | W483-L487 HydrophobicContact CH2-CG 4.45Å; W483-L487 HydrophobicContact CZ3-CD1 4.3Å; W483-L487 HydrophobicContact CZ3-CG 4.47Å; G485-L487 VanDerWaalsContact C-N 3.26Å; G485-L487 PolarHBondContact O-N 3.23Å; L487-I489 HydrophobicContact CB-CG1 4.28Å; L487-I489 HydrophobicContact CD2-CG1 4.31Å; L487-I489 PolarHBondContact O-N 3.3Å | ||
| 488 | Q | 42.8 | Very low | 45.3 | Very low | 161 Ų | 161 | 146.2 Ų | 146.2 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | trans | -60.5 | 85.8 | 158 | -70.9 | -160 | -4.4 | 0 | 0 | 104.8 | E486 S490 | E486-Q488 PolarHBondContact O-N 3.24Å; Q488-S490 PolarHBondContact O-N 3.36Å | ||
| 489 | I | 46.2 | Very low | 45.6 | Very low | 141 Ų | 141 | 141.8 Ų | 141.8 | 72% | 0.723 | 75% | 0.745 | S | S | * | * | trans | -67.7 | 79.1 | 158.7 | -60.8 | 166.8 | 0 | 0 | 0 | 103.2 | L487 K491 | L487-I489 HydrophobicContact CB-CG1 4.28Å; L487-I489 HydrophobicContact CD2-CG1 4.31Å; L487-I489 PolarHBondContact O-N 3.3Å; I489-K491 PolarHBondContact O-N 3.48Å | ||
| 490 | S | 43.2 | Very low | 45.7 | Very low | 81 Ų | 81 | 142.9 Ų | 142.9 | 57% | 0.566 | 74% | 0.743 | S | S | * | * | trans | -52 | 107.8 | 169.2 | 54.5 | 0 | 0 | 0 | 0 | 106.9 | Q488 F492 | Q488-S490 PolarHBondContact O-N 3.36Å; S490-F492 PolarHBondContact O-N 3.25Å | ||
| 491 | K | 52.9 | Low | 45.7 | Very low | 206 Ų | 206 | 145.9 Ų | 145.9 | 90% | 0.896 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 16.2 | 27.5 | 145.9 | -74.6 | -174.8 | 173.9 | 178.3 | 0 | 121.4 | I489 | I489-K491 PolarHBondContact O-N 3.48Š|
| 492 | F | 53.9 | Low | 45.7 | Very low | 189 Ų | 189 | 147.8 Ų | 147.8 | 83% | 0.829 | 76% | 0.759 | S | S | * | * | trans | -127 | 14.9 | -176.8 | -79 | -71 | 0 | 0 | 0 | 115.1 | S490 | S490-F492 PolarHBondContact O-N 3.25Š| ||
| 493 | A | 48.3 | Very low | 45.8 | Very low | 95 Ų | 95 | 149.8 Ų | 149.8 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -132.4 | 53.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 494 | S | 45.7 | Very low | 45.8 | Very low | 123 Ų | 123 | 146.9 Ų | 146.9 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | trans | -155.9 | 50.1 | 149.7 | 71.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 495 | A | 44.8 | Very low | 45.5 | Very low | 84 Ų | 84 | 147.2 Ų | 147.2 | 69% | 0.694 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -112.7 | 120.7 | 156.4 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||
| 496 | R | 38.7 | Very low | 45.7 | Very low | 232 Ų | 232 | 157.1 Ų | 157.1 | 88% | 0.875 | 80% | 0.804 | S | S | * | * | trans | 77.4 | 113.9 | -176.2 | -49.9 | 173.1 | 177.9 | 176.7 | -1.7 | 111.9 | ||||
| 497 | F | 46.4 | Very low | 46.1 | Very low | 277 Ų | 277 | 156.3 Ų | 156.3 | 100% | 1.215 | 81% | 0.807 | S | S | * | * | cis | -138.1 | 0 | 32.7 | -86.8 | -98 | 0 | 0 | 0 | 112.5 |
Retrieved 497 of 497 residues in 92.9 ms
(Link to these results)