| 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 | 46 | Very low | 61.6 | Low | 219 Ų | 219 | 100.9 Ų | 100.9 | 100% | 1.079 | 58% | 0.583 | S | S | * | * | 0 | 31.7 | 0 | -67 | -156.5 | -77.8 | 0 | 0 | 113.6 | |||||
| 2 | A | 48.4 | Very low | 63.1 | Low | 75 Ų | 75 | 106.2 Ų | 106.2 | 62% | 0.62 | 59% | 0.586 | S | S | * | * | trans | -117.6 | -15.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | T5 T6 | A2-T5 PolarHBondContact O-OG1 3.45Å; A2-T5 VanDerWaalsContact O-OG1 3.12Å; A2-T6 PolarHBondContact O-OG1 3.12Å | ||
| 3 | G | 49.2 | Very low | 64.4 | Low | 46 Ų | 46 | 109.5 Ų | 109.5 | 47% | 0.474 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -81.6 | -14.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | I7 | G3-I7 WeakPolarHBondContact O-CD1 3.39Å; G3-I7 WeakPolarHBondContact O-CG1 3.26Å |
| 4 | I | 52.9 | Low | 65.8 | Low | 113 Ų | 113 | 107.6 Ų | 107.6 | 58% | 0.579 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -80.3 | -34 | -179.1 | -59.2 | 172.3 | 0 | 0 | 0 | 110.1 | E8 | I4-E8 WeakPolarHBondContact O-CB 3.36Å; I4-E8 VanDerWaalsContact O-CG 3.26Å; I4-E8 WeakPolarHBondContact O-CG 3.38Å; I4-E8 PolarHBondContact O-N 3.06Å; I4-E8 VanDerWaalsContact O-N 3.14Å |
| 5 | T | 57.9 | Low | 66.9 | Low | 83 Ų | 83 | 109 Ų | 109 | 51% | 0.509 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -77.6 | -31.9 | -176.8 | 43 | 0 | 0 | 0 | 0 | 114.8 | A2 A9 | A2-T5 PolarHBondContact O-OG1 3.45Å; A2-T5 VanDerWaalsContact O-OG1 3.12Å; T5-A9 PolarHBondContact O-N 3.17Å |
| 6 | T | 59.8 | Low | 68 | Low | 88 Ų | 88 | 107.1 Ų | 107.1 | 54% | 0.54 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -77.9 | -38 | 176 | 33.3 | 0 | 0 | 0 | 0 | 112.4 | A2 E8 A9 V10 | A2-T6 PolarHBondContact O-OG1 3.12Å; T6-E8 VanDerWaalsContact C-N 3.32Å; T6-A9 PolarHBondContact O-N 3.43Å; T6-V10 WeakPolarHBondContact O-CG2 3.35Å; T6-V10 PolarHBondContact O-N 3.05Å |
| 7 | I | 66.9 | Low | 68.9 | Low | 112 Ų | 112 | 106.6 Ų | 106.6 | 57% | 0.574 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.9 | -39.9 | 172.3 | -69.8 | 174.8 | 0 | 0 | 0 | 110.5 | G3 K11 | G3-I7 WeakPolarHBondContact O-CD1 3.39Å; G3-I7 WeakPolarHBondContact O-CG1 3.26Å; I7-K11 WeakPolarHBondContact O-CB 3.42Å; I7-K11 PolarHBondContact O-N 3.47Å |
| 8 | E | 67.7 | Low | 69.7 | Low | 87 Ų | 87 | 106.6 Ų | 106.6 | 41% | 0.407 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.9 | -39.5 | 173.9 | -81.2 | 177 | -174.7 | 0 | 0 | 113.3 | I4 T6 K11 R12 | I4-E8 WeakPolarHBondContact O-CB 3.36Å; I4-E8 VanDerWaalsContact O-CG 3.26Å; I4-E8 WeakPolarHBondContact O-CG 3.38Å; I4-E8 PolarHBondContact O-N 3.06Å; I4-E8 VanDerWaalsContact O-N 3.14Å; T6-E8 VanDerWaalsContact C-N 3.32Å; E8-K11 PolarHBondContact O-N 3.33Å; E8-R12 WeakPolarHBondContact O-CG 3.41Å; E8-R12 PolarHBondContact O-N 2.95Å |
| 9 | A | 74 | Confident | 70.7 | Confident | 59 Ų | 59 | 106.8 Ų | 106.8 | 49% | 0.488 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.3 | -40.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | T5 T6 R12 K13 | T5-A9 PolarHBondContact O-N 3.17Å; T6-A9 PolarHBondContact O-N 3.43Å; A9-R12 PolarHBondContact O-N 3.14Å; A9-K13 PolarHBondContact O-N 2.89Å |
| 10 | V | 77.9 | Confident | 71.4 | Confident | 87 Ų | 87 | 106.8 Ų | 106.8 | 53% | 0.527 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.2 | -42.7 | 173.8 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | T6 R12 K13 I14 | T6-V10 WeakPolarHBondContact O-CG2 3.35Å; T6-V10 PolarHBondContact O-N 3.05Å; V10-R12 PolarHBondContact O-N 2.88Å; V10-K13 PolarHBondContact O-N 2.88Å; V10-I14 HydrophobicContact CG1-CD1 3.64Å; V10-I14 HydrophobicContact CG1-CG1 4.25Å; V10-I14 WeakPolarHBondContact O-CB 3.23Å; V10-I14 VanDerWaalsContact O-CG1 3.27Å; V10-I14 WeakPolarHBondContact O-CG1 3.34Å; V10-I14 PolarHBondContact O-N 3.43Å |
| 11 | K | 77.1 | Confident | 72.2 | Confident | 141 Ų | 141 | 104.2 Ų | 104.2 | 61% | 0.613 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -58.1 | -45.3 | 173.9 | -103 | -177.3 | 171.1 | -178.1 | 0 | 112.9 | I7 E8 K13 I14 Q15 | I7-K11 WeakPolarHBondContact O-CB 3.42Å; I7-K11 PolarHBondContact O-N 3.47Å; E8-K11 PolarHBondContact O-N 3.33Å; K11-K13 VanDerWaalsContact C-N 3.34Å; K11-K13 PolarHBondContact O-N 3.48Å; K11-I14 PolarHBondContact O-N 3.48Å; K11-Q15 WeakPolarHBondContact O-CB 3.31Å; K11-Q15 PolarHBondContact O-N 3.34Å |
| 12 | R | 79.5 | Confident | 74.2 | Confident | 164 Ų | 164 | 97.7 Ų | 97.7 | 62% | 0.619 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.4 | -40.5 | 176.7 | -73.3 | -176.9 | -142.3 | -160.8 | 4.3 | 111.9 | E8 A9 V10 Q15 V16 | E8-R12 WeakPolarHBondContact O-CG 3.41Å; E8-R12 PolarHBondContact O-N 2.95Å; A9-R12 PolarHBondContact O-N 3.14Å; V10-R12 PolarHBondContact O-N 2.88Å; R12-Q15 WeakPolarHBondContact O-CB 3.5Å; R12-Q15 PolarHBondContact O-N 2.87Å; R12-V16 VanDerWaalsContact O-CG2 3.31Å; R12-V16 WeakPolarHBondContact O-CG2 3.39Å; R12-V16 PolarHBondContact O-N 3.5Å |
| 13 | K | 80.5 | Confident | 76.2 | Confident | 150 Ų | 150 | 97.1 Ų | 97.1 | 65% | 0.652 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -71.4 | -36.5 | 179.4 | -161.9 | 157.8 | -175.8 | 173.8 | 0 | 112.3 | A9 V10 K11 V16 L17 | A9-K13 PolarHBondContact O-N 2.89Å; V10-K13 PolarHBondContact O-N 2.88Å; K11-K13 VanDerWaalsContact C-N 3.34Å; K11-K13 PolarHBondContact O-N 3.48Å; K13-V16 PolarHBondContact O-N 3.45Å; K13-L17 HydrophobicContact CG-CD1 4.43Å; K13-L17 WeakPolarHBondContact O-CB 3.27Å; K13-L17 VanDerWaalsContact O-CG 3.31Å; K13-L17 WeakPolarHBondContact O-CG 3.42Å; K13-L17 PolarHBondContact O-N 2.84Å |
| 14 | I | 83.3 | Confident | 78.1 | Confident | 83 Ų | 83 | 97.2 Ų | 97.2 | 43% | 0.426 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 169.8 | -70.6 | 170.2 | 0 | 0 | 0 | 110.1 | V10 K11 V16 L17 Q18 | V10-I14 HydrophobicContact CG1-CD1 3.64Å; V10-I14 HydrophobicContact CG1-CG1 4.25Å; V10-I14 WeakPolarHBondContact O-CB 3.23Å; V10-I14 VanDerWaalsContact O-CG1 3.27Å; V10-I14 WeakPolarHBondContact O-CG1 3.34Å; V10-I14 PolarHBondContact O-N 3.43Å; K11-I14 PolarHBondContact O-N 3.48Å; I14-V16 PolarHBondContact O-N 3.43Å; I14-L17 PolarHBondContact O-N 3.3Å; I14-Q18 HydrophobicContact CG2-CG 4.33Å; I14-Q18 WeakPolarHBondContact O-CB 3.27Å; I14-Q18 VanDerWaalsContact O-CG 3.26Å; I14-Q18 WeakPolarHBondContact O-CG 3.37Å; I14-Q18 PolarHBondContact O-N 3.48Å |
| 15 | Q | 82.3 | Confident | 79.8 | Confident | 128 Ų | 128 | 98 Ų | 98 | 60% | 0.598 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.1 | -42.8 | 175.1 | -88.9 | 178.8 | -31.8 | 0 | 0 | 113 | K11 R12 Q18 Q19 | K11-Q15 WeakPolarHBondContact O-CB 3.31Å; K11-Q15 PolarHBondContact O-N 3.34Å; R12-Q15 WeakPolarHBondContact O-CB 3.5Å; R12-Q15 PolarHBondContact O-N 2.87Å; Q15-Q18 PolarHBondContact O-N 3.23Å; Q15-Q19 WeakPolarHBondContact O-CB 3.21Å; Q15-Q19 PolarHBondContact O-N 2.87Å |
| 16 | V | 84.7 | Confident | 81.4 | Confident | 79 Ų | 79 | 99.3 Ų | 99.3 | 48% | 0.479 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.7 | -40.7 | 177.5 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | R12 K13 I14 Q19 Q20 | R12-V16 VanDerWaalsContact O-CG2 3.31Å; R12-V16 WeakPolarHBondContact O-CG2 3.39Å; R12-V16 PolarHBondContact O-N 3.5Å; K13-V16 PolarHBondContact O-N 3.45Å; I14-V16 PolarHBondContact O-N 3.43Å; V16-Q19 PolarHBondContact O-N 2.94Å; V16-Q20 HydrophobicContact CG1-CG 4.46Å; V16-Q20 WeakPolarHBondContact O-CB 3.44Å; V16-Q20 VanDerWaalsContact O-CG 3.23Å; V16-Q20 WeakPolarHBondContact O-CG 3.31Å; V16-Q20 PolarHBondContact O-N 3.33Å |
| 17 | L | 83.8 | Confident | 82.8 | Confident | 98 Ų | 98 | 102.1 Ų | 102.1 | 51% | 0.513 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.2 | -35.3 | 176.4 | -73.8 | 170.2 | 0 | 0 | 0 | 112.2 | K13 I14 Q20 A21 | K13-L17 HydrophobicContact CG-CD1 4.43Å; K13-L17 WeakPolarHBondContact O-CB 3.27Å; K13-L17 VanDerWaalsContact O-CG 3.31Å; K13-L17 WeakPolarHBondContact O-CG 3.42Å; K13-L17 PolarHBondContact O-N 2.84Å; I14-L17 PolarHBondContact O-N 3.3Å; L17-Q20 PolarHBondContact O-N 3.01Å; L17-A21 VanDerWaalsContact O-CB 3.29Å; L17-A21 WeakPolarHBondContact O-CB 3.49Å; L17-A21 PolarHBondContact O-N 3.15Å |
| 18 | Q | 83.3 | Confident | 84 | Confident | 107 Ų | 107 | 99.2 Ų | 99.2 | 50% | 0.5 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.2 | -51.5 | 171.6 | -79 | 171.5 | -38.5 | 0 | 0 | 110.3 | I14 Q15 Q20 A21 D22 | I14-Q18 HydrophobicContact CG2-CG 4.33Å; I14-Q18 WeakPolarHBondContact O-CB 3.27Å; I14-Q18 VanDerWaalsContact O-CG 3.26Å; I14-Q18 WeakPolarHBondContact O-CG 3.37Å; I14-Q18 PolarHBondContact O-N 3.48Å; Q15-Q18 PolarHBondContact O-N 3.23Å; Q18-Q20 VanDerWaalsContact C-N 3.29Å; Q18-Q20 PolarHBondContact O-N 3.38Å; Q18-A21 WeakPolarHBondContact O-CB 3.29Å; Q18-A21 PolarHBondContact O-N 3.08Å; Q18-A21 VanDerWaalsContact O-N 3.08Å; Q18-D22 WeakPolarHBondContact O-CB 3.26Å; Q18-D22 PolarHBondContact O-N 2.85Å |
| 19 | Q | 87.6 | Confident | 85.1 | Confident | 111 Ų | 111 | 99.7 Ų | 99.7 | 52% | 0.519 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.5 | -41.4 | 175.7 | -167.9 | 72.8 | 53.9 | 0 | 0 | 112.1 | Q15 V16 D22 D23 | Q15-Q19 WeakPolarHBondContact O-CB 3.21Å; Q15-Q19 PolarHBondContact O-N 2.87Å; V16-Q19 PolarHBondContact O-N 2.94Å; Q19-D22 PolarHBondContact O-N 3.42Å; Q19-D23 PolarHBondContact NE2-OD1 2.9Å; Q19-D23 VanDerWaalsContact O-CB 3.27Å; Q19-D23 WeakPolarHBondContact O-CB 3.33Å; Q19-D23 PolarHBondContact O-N 2.87Å |
| 20 | Q | 86.3 | Confident | 86 | Confident | 106 Ų | 106 | 104 Ų | 104 | 50% | 0.495 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.9 | -35.4 | 177 | -77.2 | 176.9 | -12.9 | 0 | 0 | 113.1 | V16 L17 Q18 A24 | V16-Q20 HydrophobicContact CG1-CG 4.46Å; V16-Q20 WeakPolarHBondContact O-CB 3.44Å; V16-Q20 VanDerWaalsContact O-CG 3.23Å; V16-Q20 WeakPolarHBondContact O-CG 3.31Å; V16-Q20 PolarHBondContact O-N 3.33Å; L17-Q20 PolarHBondContact O-N 3.01Å; Q18-Q20 VanDerWaalsContact C-N 3.29Å; Q18-Q20 PolarHBondContact O-N 3.38Å; Q20-A24 WeakPolarHBondContact O-CB 3.46Å; Q20-A24 PolarHBondContact O-N 3.29Å |
| 21 | A | 86.9 | Confident | 86.6 | Confident | 52 Ų | 52 | 104.9 Ų | 104.9 | 43% | 0.43 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69 | -45.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | L17 Q18 A24 E25 | L17-A21 VanDerWaalsContact O-CB 3.29Å; L17-A21 WeakPolarHBondContact O-CB 3.49Å; L17-A21 PolarHBondContact O-N 3.15Å; Q18-A21 WeakPolarHBondContact O-CB 3.29Å; Q18-A21 PolarHBondContact O-N 3.08Å; Q18-A21 VanDerWaalsContact O-N 3.08Å; A21-A24 CarbonylContact O-C 3.57Å; A21-A24 PolarHBondContact O-N 3.48Å; A21-A24 VanDerWaalsContact O-N 3.15Å; A21-E25 PolarHBondContact O-N 2.81Å |
| 22 | D | 88.9 | Confident | 87.3 | Confident | 82 Ų | 82 | 103.9 Ų | 103.9 | 44% | 0.439 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 176.4 | -60.9 | -19.8 | 0 | 0 | 0 | 110.7 | Q18 Q19 A24 E25 E26 | Q18-D22 WeakPolarHBondContact O-CB 3.26Å; Q18-D22 PolarHBondContact O-N 2.85Å; Q19-D22 PolarHBondContact O-N 3.42Å; D22-A24 VanDerWaalsContact C-N 3.29Å; D22-A24 PolarHBondContact O-N 2.81Å; D22-E25 PolarHBondContact O-N 3.17Å; D22-E26 PolarHBondContact O-N 3.39Å |
| 23 | D | 89.4 | Confident | 87.9 | Confident | 64 Ų | 64 | 103.3 Ų | 103.3 | 34% | 0.342 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.6 | -31.2 | 176 | -68.3 | -10.8 | 0 | 0 | 0 | 112.2 | Q19 R27 | Q19-D23 PolarHBondContact NE2-OD1 2.9Å; Q19-D23 VanDerWaalsContact O-CB 3.27Å; Q19-D23 WeakPolarHBondContact O-CB 3.33Å; Q19-D23 PolarHBondContact O-N 2.87Å; D23-R27 WeakPolarHBondContact O-CB 3.42Å; D23-R27 VanDerWaalsContact O-CG 3.29Å; D23-R27 WeakPolarHBondContact O-CG 3.49Å; D23-R27 PolarHBondContact O-N 3.33Å; D23-R27 PolarHBondContact O-NE 2.84Å |
| 24 | A | 88.7 | Confident | 88.5 | Confident | 47 Ų | 47 | 102.1 Ų | 102.1 | 39% | 0.388 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -75.2 | -38.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q20 A21 D22 R27 A28 | Q20-A24 WeakPolarHBondContact O-CB 3.46Å; Q20-A24 PolarHBondContact O-N 3.29Å; A21-A24 CarbonylContact O-C 3.57Å; A21-A24 PolarHBondContact O-N 3.48Å; A21-A24 VanDerWaalsContact O-N 3.15Å; D22-A24 VanDerWaalsContact C-N 3.29Å; D22-A24 PolarHBondContact O-N 2.81Å; A24-R27 PolarHBondContact O-N 3.39Å; A24-A28 WeakPolarHBondContact O-CB 3.37Å; A24-A28 PolarHBondContact O-N 3.26Å |
| 25 | E | 90 | Very high | 89.1 | Confident | 131 Ų | 131 | 101.8 Ų | 101.8 | 61% | 0.612 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.1 | -48 | 171.8 | -101.1 | -179.4 | 167 | 0 | 0 | 111 | A21 D22 R27 A28 E29 | A21-E25 PolarHBondContact O-N 2.81Å; D22-E25 PolarHBondContact O-N 3.17Å; E25-R27 VanDerWaalsContact C-N 3.3Å; E25-R27 PolarHBondContact O-N 3.2Å; E25-A28 PolarHBondContact O-N 2.8Å; E25-A28 VanDerWaalsContact O-N 3.17Å; E25-E29 WeakPolarHBondContact O-CG 3.44Å; E25-E29 PolarHBondContact O-N 2.85Å |
| 26 | E | 90.3 | Very high | 89.6 | Confident | 110 Ų | 110 | 100.1 Ų | 100.1 | 51% | 0.514 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.2 | -39.7 | 176.1 | -80.8 | -162.6 | 179.1 | 0 | 0 | 112.3 | D22 R30 | D22-E26 PolarHBondContact O-N 3.39Å; E26-R30 WeakPolarHBondContact O-CB 3.29Å; E26-R30 VanDerWaalsContact O-CG 3.28Å; E26-R30 WeakPolarHBondContact O-CG 3.33Å; E26-R30 PolarHBondContact O-N 2.96Å; E26-R30 IonicContact OE2-NH2 3.85Å |
| 27 | R | 90.5 | Very high | 90.1 | Very high | 147 Ų | 147 | 98.2 Ų | 98.2 | 56% | 0.555 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.9 | -41 | 175.9 | -79.9 | 178.7 | -72.7 | -156.4 | -1.7 | 112 | D23 A24 E25 R30 L31 | D23-R27 WeakPolarHBondContact O-CB 3.42Å; D23-R27 VanDerWaalsContact O-CG 3.29Å; D23-R27 WeakPolarHBondContact O-CG 3.49Å; D23-R27 PolarHBondContact O-N 3.33Å; D23-R27 PolarHBondContact O-NE 2.84Å; A24-R27 PolarHBondContact O-N 3.39Å; E25-R27 VanDerWaalsContact C-N 3.3Å; E25-R27 PolarHBondContact O-N 3.2Å; R27-R30 PolarHBondContact O-N 2.96Å; R27-L31 WeakPolarHBondContact O-CB 3.28Å; R27-L31 WeakPolarHBondContact O-CG 3.48Å; R27-L31 PolarHBondContact O-N 2.85Å |
| 28 | A | 90.8 | Very high | 90.5 | Very high | 51 Ų | 51 | 100.2 Ų | 100.2 | 42% | 0.421 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 175 | 0 | 0 | 0 | 0 | 0 | 110.3 | A24 E25 R30 L31 Q32 | A24-A28 WeakPolarHBondContact O-CB 3.37Å; A24-A28 PolarHBondContact O-N 3.26Å; E25-A28 PolarHBondContact O-N 2.8Å; E25-A28 VanDerWaalsContact O-N 3.17Å; A28-R30 PolarHBondContact O-N 2.9Å; A28-L31 PolarHBondContact O-N 3.2Å; A28-Q32 VanDerWaalsContact O-CB 3.24Å; A28-Q32 WeakPolarHBondContact O-CB 3.48Å; A28-Q32 PolarHBondContact O-N 2.94Å |
| 29 | E | 91.6 | Very high | 91.1 | Very high | 97 Ų | 97 | 103.1 Ų | 103.1 | 45% | 0.453 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.8 | -41.6 | 176.2 | -75.1 | -166.1 | 179.7 | 0 | 0 | 113 | E25 Q32 R33 | E25-E29 WeakPolarHBondContact O-CG 3.44Å; E25-E29 PolarHBondContact O-N 2.85Å; E29-Q32 PolarHBondContact O-N 2.86Å; E29-R33 WeakPolarHBondContact O-CG 3.5Å; E29-R33 PolarHBondContact O-N 3.36Å; E29-R33 IonicContact OE2-CZ 3.87Å; E29-R33 IonicContact OE2-NH1 2.68Å; E29-R33 PolarHBondContact OE2-NH1 3.13Å; E29-R33 IonicContact OE2-NH2 2.94Å; E29-R33 PolarHBondContact OE2-NH2 3.42Å |
| 30 | R | 91.8 | Very high | 91.4 | Very high | 150 Ų | 150 | 105.4 Ų | 105.4 | 57% | 0.566 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.3 | -49.8 | 176.5 | -75.6 | 178.1 | -165 | -142.5 | 7.2 | 111.6 | E26 R27 A28 Q32 R33 E34 | E26-R30 WeakPolarHBondContact O-CB 3.29Å; E26-R30 VanDerWaalsContact O-CG 3.28Å; E26-R30 WeakPolarHBondContact O-CG 3.33Å; E26-R30 PolarHBondContact O-N 2.96Å; E26-R30 IonicContact OE2-NH2 3.85Å; R27-R30 PolarHBondContact O-N 2.96Å; A28-R30 PolarHBondContact O-N 2.9Å; R30-Q32 PolarHBondContact O-N 3.4Å; R30-R33 PolarHBondContact O-N 3.33Å; R30-E34 WeakPolarHBondContact O-CG 3.34Å; R30-E34 PolarHBondContact O-N 3.37Å |
| 31 | L | 91.5 | Very high | 91.8 | Very high | 104 Ų | 104 | 102.5 Ų | 102.5 | 55% | 0.545 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.6 | -35.9 | 176.7 | -74.3 | 169.8 | 0 | 0 | 0 | 111.3 | R27 A28 E34 V35 | R27-L31 WeakPolarHBondContact O-CB 3.28Å; R27-L31 WeakPolarHBondContact O-CG 3.48Å; R27-L31 PolarHBondContact O-N 2.85Å; A28-L31 PolarHBondContact O-N 3.2Å; L31-E34 PolarHBondContact O-N 2.81Å; L31-V35 WeakPolarHBondContact O-CB 3.24Å; L31-V35 VanDerWaalsContact O-CG2 3.24Å; L31-V35 WeakPolarHBondContact O-CG2 3.24Å; L31-V35 PolarHBondContact O-N 2.86Å |
| 32 | Q | 92.1 | Very high | 92.2 | Very high | 121 Ų | 121 | 107.9 Ų | 107.9 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68 | -42.2 | 177.7 | -152.4 | 159.3 | -6.3 | 0 | 0 | 111.5 | A28 E29 R30 V35 E36 | A28-Q32 VanDerWaalsContact O-CB 3.24Å; A28-Q32 WeakPolarHBondContact O-CB 3.48Å; A28-Q32 PolarHBondContact O-N 2.94Å; E29-Q32 PolarHBondContact O-N 2.86Å; R30-Q32 PolarHBondContact O-N 3.4Å; Q32-V35 PolarHBondContact O-N 3.25Å; Q32-E36 WeakPolarHBondContact O-CB 3.29Å; Q32-E36 WeakPolarHBondContact O-CG 3.34Å; Q32-E36 PolarHBondContact O-N 3.46Å |
| 33 | R | 92.4 | Very high | 92.6 | Very high | 152 Ų | 152 | 110 Ų | 110 | 57% | 0.574 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.9 | -40.7 | 171.9 | -70.8 | 177.3 | -170.5 | 114.3 | 7.9 | 112.3 | E29 R30 E36 G37 | E29-R33 WeakPolarHBondContact O-CG 3.5Å; E29-R33 PolarHBondContact O-N 3.36Å; E29-R33 IonicContact OE2-CZ 3.87Å; E29-R33 IonicContact OE2-NH1 2.68Å; E29-R33 PolarHBondContact OE2-NH1 3.13Å; E29-R33 IonicContact OE2-NH2 2.94Å; E29-R33 PolarHBondContact OE2-NH2 3.42Å; R30-R33 PolarHBondContact O-N 3.33Å; R33-E36 PolarHBondContact O-N 3.43Å; R33-G37 PolarHBondContact O-N 2.91Å |
| 34 | E | 93.4 | Very high | 92.9 | Very high | 124 Ų | 124 | 113.3 Ų | 113.3 | 58% | 0.579 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.6 | -47.1 | 176.3 | -75.5 | 174.8 | -174.7 | 0 | 0 | 111.5 | R30 L31 E36 G37 E38 | R30-E34 WeakPolarHBondContact O-CG 3.34Å; R30-E34 PolarHBondContact O-N 3.37Å; L31-E34 PolarHBondContact O-N 2.81Å; E34-E36 VanDerWaalsContact C-N 3.32Å; E34-E36 PolarHBondContact O-N 3.4Å; E34-G37 PolarHBondContact O-N 3.45Å; E34-G37 VanDerWaalsContact O-N 3.13Å; E34-E38 WeakPolarHBondContact O-CG 3.3Å; E34-E38 PolarHBondContact O-N 2.87Å |
| 35 | V | 94.5 | Very high | 93.2 | Very high | 77 Ų | 77 | 113.4 Ų | 113.4 | 47% | 0.467 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.9 | -39.9 | 176.5 | 169 | 0 | 0 | 0 | 0 | 111.5 | L31 Q32 R39 | L31-V35 WeakPolarHBondContact O-CB 3.24Å; L31-V35 VanDerWaalsContact O-CG2 3.24Å; L31-V35 WeakPolarHBondContact O-CG2 3.24Å; L31-V35 PolarHBondContact O-N 2.86Å; Q32-V35 PolarHBondContact O-N 3.25Å; V35-R39 WeakPolarHBondContact O-CB 3.32Å; V35-R39 VanDerWaalsContact O-CG 3.3Å; V35-R39 WeakPolarHBondContact O-CG 3.41Å; V35-R39 PolarHBondContact O-N 3.47Å |
| 36 | E | 93.5 | Very high | 93.4 | Very high | 93 Ų | 93 | 111.9 Ų | 111.9 | 44% | 0.435 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.5 | -38.9 | 173.8 | -75.9 | 178.5 | -169.2 | 0 | 0 | 112.3 | Q32 R33 E34 R39 R40 | Q32-E36 WeakPolarHBondContact O-CB 3.29Å; Q32-E36 WeakPolarHBondContact O-CG 3.34Å; Q32-E36 PolarHBondContact O-N 3.46Å; R33-E36 PolarHBondContact O-N 3.43Å; E34-E36 VanDerWaalsContact C-N 3.32Å; E34-E36 PolarHBondContact O-N 3.4Å; E36-R39 PolarHBondContact O-N 2.92Å; E36-R40 WeakPolarHBondContact O-CG 3.39Å; E36-R40 PolarHBondContact O-N 2.94Å |
| 37 | G | 94.4 | Very high | 93.7 | Very high | 38 Ų | 38 | 109.6 Ų | 109.6 | 39% | 0.392 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.8 | -49.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R33 E34 R39 R40 A41 | R33-G37 PolarHBondContact O-N 2.91Å; E34-G37 PolarHBondContact O-N 3.45Å; E34-G37 VanDerWaalsContact O-N 3.13Å; G37-R39 VanDerWaalsContact C-N 3.35Å; G37-R39 PolarHBondContact O-N 3.48Å; G37-R40 PolarHBondContact O-N 2.87Å; G37-A41 PolarHBondContact O-N 3.34Å |
| 38 | E | 93.4 | Very high | 94 | Very high | 141 Ų | 141 | 108.8 Ų | 108.8 | 66% | 0.659 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.7 | -40.1 | 176.2 | -74.5 | -64.1 | 153 | 0 | 0 | 112.1 | E34 A41 R42 | E34-E38 WeakPolarHBondContact O-CG 3.3Å; E34-E38 PolarHBondContact O-N 2.87Å; E38-A41 PolarHBondContact O-N 3.4Å; E38-R42 VanDerWaalsContact O-CB 3.29Å; E38-R42 WeakPolarHBondContact O-CB 3.48Å; E38-R42 PolarHBondContact O-N 2.94Å |
| 39 | R | 94.2 | Very high | 94.3 | Very high | 168 Ų | 168 | 110.2 Ų | 110.2 | 63% | 0.634 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61 | -45.7 | 174.3 | -80.5 | -178.6 | -176.7 | -153.9 | 2.6 | 111.9 | V35 E36 G37 R42 E43 | V35-R39 WeakPolarHBondContact O-CB 3.32Å; V35-R39 VanDerWaalsContact O-CG 3.3Å; V35-R39 WeakPolarHBondContact O-CG 3.41Å; V35-R39 PolarHBondContact O-N 3.47Å; E36-R39 PolarHBondContact O-N 2.92Å; G37-R39 VanDerWaalsContact C-N 3.35Å; G37-R39 PolarHBondContact O-N 3.48Å; R39-R42 PolarHBondContact O-N 2.89Å; R39-E43 WeakPolarHBondContact O-CG 3.43Å; R39-E43 PolarHBondContact O-N 2.9Å |
| 40 | R | 94.9 | Very high | 94.6 | Very high | 158 Ų | 158 | 107.7 Ų | 107.7 | 60% | 0.596 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.2 | -42.3 | 177.6 | -71.5 | 174.7 | -170.9 | 176 | 7.8 | 112 | E36 G37 R42 E43 Q44 | E36-R40 WeakPolarHBondContact O-CG 3.39Å; E36-R40 PolarHBondContact O-N 2.94Å; G37-R40 PolarHBondContact O-N 2.87Å; R40-R42 VanDerWaalsContact C-N 3.34Å; R40-E43 PolarHBondContact O-N 3.3Å; R40-Q44 WeakPolarHBondContact O-CG 3.28Å; R40-Q44 PolarHBondContact O-N 3.5Å |
| 41 | A | 94.9 | Very high | 94.9 | Very high | 46 Ų | 46 | 104.2 Ų | 104.2 | 38% | 0.38 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | G37 E38 Q44 A45 | G37-A41 PolarHBondContact O-N 3.34Å; E38-A41 PolarHBondContact O-N 3.4Å; A41-Q44 PolarHBondContact O-N 3.04Å; A41-A45 WeakPolarHBondContact O-CB 3.44Å; A41-A45 PolarHBondContact O-N 2.96Å |
| 42 | R | 95.7 | Very high | 95.2 | Very high | 165 Ų | 165 | 103.9 Ų | 103.9 | 62% | 0.623 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.2 | -45.7 | 174.3 | -178.8 | -179 | 168 | -178.2 | -4.7 | 112.2 | E38 R39 R40 Q44 A45 E46 | E38-R42 VanDerWaalsContact O-CB 3.29Å; E38-R42 WeakPolarHBondContact O-CB 3.48Å; E38-R42 PolarHBondContact O-N 2.94Å; R39-R42 PolarHBondContact O-N 2.89Å; R40-R42 VanDerWaalsContact C-N 3.34Å; R42-Q44 VanDerWaalsContact C-N 3.31Å; R42-Q44 PolarHBondContact O-N 2.76Å; R42-A45 PolarHBondContact O-N 3.23Å; R42-E46 HydrophobicContact CG-CG 4.38Å; R42-E46 IonicContact CZ-OE1 3.83Å; R42-E46 VanDerWaalsContact CZ-OE1 3.27Å; R42-E46 IonicContact NE-OE1 3.79Å; R42-E46 PolarHBondContact NE-OE1 3.36Å; R42-E46 IonicContact NH2-OE1 3.72Å; R42-E46 PolarHBondContact NH2-OE1 2.88Å; R42-E46 WeakPolarHBondContact O-CB 3.5Å; R42-E46 WeakPolarHBondContact O-CG 3.5Å; R42-E46 PolarHBondContact O-N 3.44Å |
| 43 | E | 95.6 | Very high | 95.4 | Very high | 127 Ų | 127 | 102.1 Ų | 102.1 | 59% | 0.593 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.7 | -40.2 | 177 | -76.8 | 172 | -175.9 | 0 | 0 | 111.9 | R39 R40 A47 | R39-E43 WeakPolarHBondContact O-CG 3.43Å; R39-E43 PolarHBondContact O-N 2.9Å; R40-E43 PolarHBondContact O-N 3.3Å; E43-A47 WeakPolarHBondContact O-CB 3.45Å; E43-A47 PolarHBondContact O-N 3.46Å |
| 44 | Q | 95.8 | Very high | 95.6 | Very high | 133 Ų | 133 | 103.5 Ų | 103.5 | 62% | 0.621 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.6 | -47 | 174.4 | -73.7 | 173.8 | -1.6 | 0 | 0 | 111.8 | R40 A41 R42 E46 A47 E48 | R40-Q44 WeakPolarHBondContact O-CG 3.28Å; R40-Q44 PolarHBondContact O-N 3.5Å; A41-Q44 PolarHBondContact O-N 3.04Å; R42-Q44 VanDerWaalsContact C-N 3.31Å; R42-Q44 PolarHBondContact O-N 2.76Å; Q44-E46 PolarHBondContact O-N 3.37Å; Q44-A47 WeakPolarHBondContact O-CB 3.37Å; Q44-A47 PolarHBondContact O-N 2.85Å; Q44-E48 WeakPolarHBondContact O-CG 3.39Å; Q44-E48 PolarHBondContact O-N 3.28Å |
| 45 | A | 95.1 | Very high | 95.8 | Very high | 48 Ų | 48 | 105.9 Ų | 105.9 | 40% | 0.397 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A41 R42 A47 E48 V49 | A41-A45 WeakPolarHBondContact O-CB 3.44Å; A41-A45 PolarHBondContact O-N 2.96Å; R42-A45 PolarHBondContact O-N 3.23Å; A45-A47 VanDerWaalsContact C-N 3.32Å; A45-A47 PolarHBondContact O-N 2.91Å; A45-E48 PolarHBondContact O-N 2.97Å; A45-V49 WeakPolarHBondContact O-CB 3.35Å; A45-V49 VanDerWaalsContact O-CG2 3.28Å; A45-V49 WeakPolarHBondContact O-CG2 3.37Å; A45-V49 PolarHBondContact O-N 3.39Å |
| 46 | E | 95.9 | Very high | 96 | Very high | 100 Ų | 100 | 106.3 Ų | 106.3 | 47% | 0.467 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.9 | -38.5 | 175.1 | -75.1 | 179.7 | -179.2 | 0 | 0 | 111.4 | R42 Q44 A50 | R42-E46 HydrophobicContact CG-CG 4.38Å; R42-E46 IonicContact CZ-OE1 3.83Å; R42-E46 VanDerWaalsContact CZ-OE1 3.27Å; R42-E46 IonicContact NE-OE1 3.79Å; R42-E46 PolarHBondContact NE-OE1 3.36Å; R42-E46 IonicContact NH2-OE1 3.72Å; R42-E46 PolarHBondContact NH2-OE1 2.88Å; R42-E46 WeakPolarHBondContact O-CB 3.5Å; R42-E46 WeakPolarHBondContact O-CG 3.5Å; R42-E46 PolarHBondContact O-N 3.44Å; Q44-E46 PolarHBondContact O-N 3.37Å; E46-A50 WeakPolarHBondContact O-CB 3.36Å; E46-A50 PolarHBondContact O-N 2.98Å |
| 47 | A | 96.3 | Very high | 96.2 | Very high | 61 Ų | 61 | 107.5 Ų | 107.5 | 50% | 0.504 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.8 | -40.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E43 Q44 A45 A50 S51 | E43-A47 WeakPolarHBondContact O-CB 3.45Å; E43-A47 PolarHBondContact O-N 3.46Å; Q44-A47 WeakPolarHBondContact O-CB 3.37Å; Q44-A47 PolarHBondContact O-N 2.85Å; A45-A47 VanDerWaalsContact C-N 3.32Å; A45-A47 PolarHBondContact O-N 2.91Å; A47-A50 PolarHBondContact O-N 3.17Å; A47-S51 WeakPolarHBondContact O-CB 3.42Å; A47-S51 PolarHBondContact O-N 3.43Å |
| 48 | E | 96.9 | Very high | 96.4 | Very high | 130 Ų | 130 | 110.6 Ų | 110.6 | 61% | 0.607 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64 | -45.2 | 174.9 | -75.1 | 180 | -173.7 | 0 | 0 | 111.8 | Q44 A45 A50 S51 L52 | Q44-E48 WeakPolarHBondContact O-CG 3.39Å; Q44-E48 PolarHBondContact O-N 3.28Å; A45-E48 PolarHBondContact O-N 2.97Å; E48-A50 VanDerWaalsContact C-N 3.32Å; E48-A50 PolarHBondContact O-N 3.23Å; E48-S51 WeakPolarHBondContact O-CB 3.49Å; E48-S51 PolarHBondContact O-N 2.96Å; E48-S51 VanDerWaalsContact O-N 3.17Å; E48-L52 WeakPolarHBondContact O-CG 3.39Å; E48-L52 PolarHBondContact O-N 3.41Å |
| 49 | V | 97.3 | Very high | 96.6 | Very high | 81 Ų | 81 | 107.7 Ų | 107.7 | 49% | 0.491 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 175.2 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | A45 S51 L52 N53 | A45-V49 WeakPolarHBondContact O-CB 3.35Å; A45-V49 VanDerWaalsContact O-CG2 3.28Å; A45-V49 WeakPolarHBondContact O-CG2 3.37Å; A45-V49 PolarHBondContact O-N 3.39Å; V49-S51 VanDerWaalsContact C-N 3.33Å; V49-S51 PolarHBondContact O-N 2.86Å; V49-L52 PolarHBondContact O-N 2.84Å; V49-N53 WeakPolarHBondContact O-CB 3.36Å; V49-N53 VanDerWaalsContact O-CG 3.31Å; V49-N53 PolarHBondContact O-N 3.3Å; V49-N53 PolarHBondContact O-ND2 2.93Å |
| 50 | A | 96.9 | Very high | 96.7 | Very high | 45 Ų | 45 | 104.8 Ų | 104.8 | 37% | 0.372 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.6 | -39.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E46 A47 E48 R54 | E46-A50 WeakPolarHBondContact O-CB 3.36Å; E46-A50 PolarHBondContact O-N 2.98Å; A47-A50 PolarHBondContact O-N 3.17Å; E48-A50 VanDerWaalsContact C-N 3.32Å; E48-A50 PolarHBondContact O-N 3.23Å; A50-R54 WeakPolarHBondContact O-CG 3.4Å; A50-R54 PolarHBondContact O-N 3.48Å |
| 51 | S | 97.6 | Very high | 96.9 | Very high | 76 Ų | 76 | 101.6 Ų | 101.6 | 53% | 0.531 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.3 | -46.6 | 175.5 | -177.6 | 0 | 0 | 0 | 0 | 112.3 | A47 E48 V49 N53 R54 R55 | A47-S51 WeakPolarHBondContact O-CB 3.42Å; A47-S51 PolarHBondContact O-N 3.43Å; E48-S51 WeakPolarHBondContact O-CB 3.49Å; E48-S51 PolarHBondContact O-N 2.96Å; E48-S51 VanDerWaalsContact O-N 3.17Å; V49-S51 VanDerWaalsContact C-N 3.33Å; V49-S51 PolarHBondContact O-N 2.86Å; S51-N53 PolarHBondContact O-N 3.23Å; S51-R54 PolarHBondContact O-N 3.09Å; S51-R55 PolarHBondContact O-N 2.96Å |
| 52 | L | 97.6 | Very high | 97 | Very high | 97 Ų | 97 | 105.4 Ų | 105.4 | 51% | 0.508 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 177.5 | -71.7 | 173.2 | 0 | 0 | 0 | 111.9 | E48 V49 R54 R55 I56 | E48-L52 WeakPolarHBondContact O-CG 3.39Å; E48-L52 PolarHBondContact O-N 3.41Å; V49-L52 PolarHBondContact O-N 2.84Å; L52-R54 VanDerWaalsContact C-N 3.33Å; L52-R54 PolarHBondContact O-N 3.45Å; L52-R55 CarbonylContact O-C 3.58Å; L52-R55 WeakPolarHBondContact O-CB 3.43Å; L52-R55 PolarHBondContact O-N 3.41Å; L52-R55 VanDerWaalsContact O-N 3.09Å; L52-I56 WeakPolarHBondContact O-CG1 3.34Å; L52-I56 PolarHBondContact O-N 3.39Å |
| 53 | N | 97.1 | Very high | 97.1 | Very high | 85 Ų | 85 | 102.1 Ų | 102.1 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.4 | -39.9 | 177 | -77.2 | -29.8 | 0 | 0 | 0 | 112.4 | V49 S51 R55 I56 Q57 | V49-N53 WeakPolarHBondContact O-CB 3.36Å; V49-N53 VanDerWaalsContact O-CG 3.31Å; V49-N53 PolarHBondContact O-N 3.3Å; V49-N53 PolarHBondContact O-ND2 2.93Å; S51-N53 PolarHBondContact O-N 3.23Å; N53-R55 VanDerWaalsContact C-N 3.33Å; N53-I56 PolarHBondContact O-N 3.14Å; N53-Q57 WeakPolarHBondContact O-CG 3.47Å; N53-Q57 PolarHBondContact O-N 3.16Å; N53-Q57 VanDerWaalsContact O-N 3.16Å |
| 54 | R | 97.4 | Very high | 97.2 | Very high | 180 Ų | 180 | 100.5 Ų | 100.5 | 68% | 0.679 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.2 | -39.7 | 173.3 | -70.7 | 174.8 | -176.6 | 177.2 | 2.3 | 111.7 | A50 S51 L52 Q57 L58 | A50-R54 WeakPolarHBondContact O-CG 3.4Å; A50-R54 PolarHBondContact O-N 3.48Å; S51-R54 PolarHBondContact O-N 3.09Å; L52-R54 VanDerWaalsContact C-N 3.33Å; L52-R54 PolarHBondContact O-N 3.45Å; R54-Q57 PolarHBondContact O-N 3.45Å; R54-L58 WeakPolarHBondContact O-CG 3.41Å; R54-L58 PolarHBondContact O-N 2.87Å; R54-L58 VanDerWaalsContact O-N 3.15Å |
| 55 | R | 97.8 | Very high | 97.3 | Very high | 175 Ų | 175 | 100.3 Ų | 100.3 | 66% | 0.66 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.2 | -38 | 178 | -173.9 | 172.8 | 168.1 | -179.5 | -4.8 | 112.2 | S51 L52 N53 L58 V59 | S51-R55 PolarHBondContact O-N 2.96Å; L52-R55 CarbonylContact O-C 3.58Å; L52-R55 WeakPolarHBondContact O-CB 3.43Å; L52-R55 PolarHBondContact O-N 3.41Å; L52-R55 VanDerWaalsContact O-N 3.09Å; N53-R55 VanDerWaalsContact C-N 3.33Å; R55-L58 PolarHBondContact O-N 3.16Å; R55-V59 WeakPolarHBondContact O-CG2 3.47Å; R55-V59 PolarHBondContact O-N 2.88Å; R55-V59 VanDerWaalsContact O-N 3.08Å |
| 56 | I | 97.9 | Very high | 97.5 | Very high | 86 Ų | 86 | 100.6 Ų | 100.6 | 44% | 0.441 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.7 | -50.4 | 174.6 | -71.6 | 166.7 | 0 | 0 | 0 | 109.9 | L52 N53 L58 V59 E60 | L52-I56 WeakPolarHBondContact O-CG1 3.34Å; L52-I56 PolarHBondContact O-N 3.39Å; N53-I56 PolarHBondContact O-N 3.14Å; I56-L58 VanDerWaalsContact C-N 3.32Å; I56-L58 PolarHBondContact O-N 2.89Å; I56-V59 PolarHBondContact O-N 3.39Å; I56-V59 VanDerWaalsContact O-N 3.12Å; I56-E60 HydrophobicContact CG2-CG 4.29Å; I56-E60 WeakPolarHBondContact O-CG 3.33Å; I56-E60 PolarHBondContact O-N 3.47Å |
| 57 | Q | 97.6 | Very high | 97.6 | Very high | 117 Ų | 117 | 100.9 Ų | 100.9 | 55% | 0.547 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -57.5 | -43.5 | 178.7 | -71.8 | 175.6 | -14.5 | 0 | 0 | 112.7 | N53 R54 V59 E60 E61 | N53-Q57 WeakPolarHBondContact O-CG 3.47Å; N53-Q57 PolarHBondContact O-N 3.16Å; N53-Q57 VanDerWaalsContact O-N 3.16Å; R54-Q57 PolarHBondContact O-N 3.45Å; Q57-V59 PolarHBondContact O-N 3.12Å; Q57-E60 PolarHBondContact O-N 3.33Å; Q57-E61 WeakPolarHBondContact O-CG 3.5Å; Q57-E61 PolarHBondContact O-N 3.42Å |
| 58 | L | 97.8 | Very high | 97.7 | Very high | 103 Ų | 103 | 104.6 Ų | 104.6 | 54% | 0.539 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.8 | -42 | 177.5 | -71.9 | 171 | 0 | 0 | 0 | 112.3 | R54 R55 I56 E61 E62 | R54-L58 WeakPolarHBondContact O-CG 3.41Å; R54-L58 PolarHBondContact O-N 2.87Å; R54-L58 VanDerWaalsContact O-N 3.15Å; R55-L58 PolarHBondContact O-N 3.16Å; I56-L58 VanDerWaalsContact C-N 3.32Å; I56-L58 PolarHBondContact O-N 2.89Å; L58-E61 PolarHBondContact O-N 3.34Å; L58-E62 WeakPolarHBondContact O-CB 3.45Å; L58-E62 WeakPolarHBondContact O-CG 3.36Å; L58-E62 PolarHBondContact O-N 3.15Å |
| 59 | V | 97.8 | Very high | 97.7 | Very high | 80 Ų | 80 | 107.3 Ų | 107.3 | 49% | 0.485 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.6 | -37.6 | 178.3 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | R55 I56 Q57 E62 L63 | R55-V59 WeakPolarHBondContact O-CG2 3.47Å; R55-V59 PolarHBondContact O-N 2.88Å; R55-V59 VanDerWaalsContact O-N 3.08Å; I56-V59 PolarHBondContact O-N 3.39Å; I56-V59 VanDerWaalsContact O-N 3.12Å; Q57-V59 PolarHBondContact O-N 3.12Å; V59-E62 PolarHBondContact O-N 3.08Å; V59-L63 WeakPolarHBondContact O-CB 3.41Å; V59-L63 PolarHBondContact O-N 3.04Å |
| 60 | E | 97.9 | Very high | 97.8 | Very high | 108 Ų | 108 | 108.3 Ų | 108.3 | 51% | 0.505 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.9 | -47.2 | 174.1 | -72.8 | 173.6 | 161.5 | 0 | 0 | 111.1 | I56 Q57 E62 L63 D64 | I56-E60 HydrophobicContact CG2-CG 4.29Å; I56-E60 WeakPolarHBondContact O-CG 3.33Å; I56-E60 PolarHBondContact O-N 3.47Å; Q57-E60 PolarHBondContact O-N 3.33Å; E60-E62 VanDerWaalsContact C-N 3.32Å; E60-E62 PolarHBondContact O-N 3.46Å; E60-L63 WeakPolarHBondContact O-CB 3.43Å; E60-L63 PolarHBondContact O-N 2.9Å; E60-L63 VanDerWaalsContact O-N 3.16Å; E60-D64 PolarHBondContact O-N 2.88Å |
| 61 | E | 97.5 | Very high | 97.8 | Very high | 90 Ų | 90 | 109 Ų | 109 | 42% | 0.421 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.4 | -38.8 | 175.1 | -74.2 | -177.2 | -161.5 | 0 | 0 | 112.8 | Q57 L58 R65 | Q57-E61 WeakPolarHBondContact O-CG 3.5Å; Q57-E61 PolarHBondContact O-N 3.42Å; L58-E61 PolarHBondContact O-N 3.34Å; E61-R65 WeakPolarHBondContact O-CB 3.37Å; E61-R65 VanDerWaalsContact O-CG 3.25Å; E61-R65 WeakPolarHBondContact O-CG 3.35Å; E61-R65 PolarHBondContact O-N 2.92Å; E61-R65 VanDerWaalsContact O-N 3.08Å; E61-R65 IonicContact OE2-CZ 2.81Å; E61-R65 IonicContact OE2-NH2 3.4Å; E61-R65 PolarHBondContact OE2-NH2 3.23Å |
| 62 | E | 97.9 | Very high | 97.9 | Very high | 127 Ų | 127 | 108.7 Ų | 108.7 | 59% | 0.593 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.9 | -39.5 | 175.2 | -77.8 | 179.5 | -179.8 | 0 | 0 | 111.9 | L58 V59 E60 A66 | L58-E62 WeakPolarHBondContact O-CB 3.45Å; L58-E62 WeakPolarHBondContact O-CG 3.36Å; L58-E62 PolarHBondContact O-N 3.15Å; V59-E62 PolarHBondContact O-N 3.08Å; E60-E62 VanDerWaalsContact C-N 3.32Å; E60-E62 PolarHBondContact O-N 3.46Å; E62-A66 WeakPolarHBondContact O-CB 3.48Å; E62-A66 PolarHBondContact O-N 3.21Å |
| 63 | L | 97.9 | Very high | 97.9 | Very high | 96 Ų | 96 | 106.8 Ų | 106.8 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64 | -47.2 | 176.1 | -179.4 | 62.5 | 0 | 0 | 0 | 111.1 | V59 E60 R65 A66 Q67 | V59-L63 WeakPolarHBondContact O-CB 3.41Å; V59-L63 PolarHBondContact O-N 3.04Å; E60-L63 WeakPolarHBondContact O-CB 3.43Å; E60-L63 PolarHBondContact O-N 2.9Å; E60-L63 VanDerWaalsContact O-N 3.16Å; L63-R65 PolarHBondContact O-N 2.93Å; L63-A66 WeakPolarHBondContact O-CB 3.37Å; L63-A66 PolarHBondContact O-N 3.13Å; L63-A66 VanDerWaalsContact O-N 3.14Å; L63-Q67 HydrophobicContact CD1-CG 4.37Å; L63-Q67 WeakPolarHBondContact O-CG 3.36Å; L63-Q67 PolarHBondContact O-N 3.39Å |
| 64 | D | 98.1 | Very high | 97.9 | Very high | 92 Ų | 92 | 107.5 Ų | 107.5 | 49% | 0.492 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.8 | -46.1 | 178.3 | -71.7 | -18.6 | 0 | 0 | 0 | 110.9 | E60 A66 Q67 E68 | E60-D64 PolarHBondContact O-N 2.88Å; D64-A66 VanDerWaalsContact C-N 3.32Å; D64-A66 PolarHBondContact O-N 3.44Å; D64-Q67 PolarHBondContact O-N 3.38Å; D64-E68 WeakPolarHBondContact O-CG 3.45Å; D64-E68 PolarHBondContact O-N 2.97Å |
| 65 | R | 98.1 | Very high | 98 | Very high | 130 Ų | 130 | 104.3 Ų | 104.3 | 49% | 0.491 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62 | -38.1 | 175.6 | -71.5 | 174.1 | -168.4 | 149.2 | 15.5 | 112.4 | E61 L63 R69 | E61-R65 WeakPolarHBondContact O-CB 3.37Å; E61-R65 VanDerWaalsContact O-CG 3.25Å; E61-R65 WeakPolarHBondContact O-CG 3.35Å; E61-R65 PolarHBondContact O-N 2.92Å; E61-R65 VanDerWaalsContact O-N 3.08Å; E61-R65 IonicContact OE2-CZ 2.81Å; E61-R65 IonicContact OE2-NH2 3.4Å; E61-R65 PolarHBondContact OE2-NH2 3.23Å; L63-R65 PolarHBondContact O-N 2.93Å; R65-R69 VanDerWaalsContact O-CG 3.25Å; R65-R69 WeakPolarHBondContact O-CG 3.35Å; R65-R69 PolarHBondContact O-N 3.47Å |
| 66 | A | 97.8 | Very high | 98 | Very high | 53 Ų | 53 | 102.6 Ų | 102.6 | 44% | 0.438 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.3 | -39 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E62 L63 D64 R69 L70 | E62-A66 WeakPolarHBondContact O-CB 3.48Å; E62-A66 PolarHBondContact O-N 3.21Å; L63-A66 WeakPolarHBondContact O-CB 3.37Å; L63-A66 PolarHBondContact O-N 3.13Å; L63-A66 VanDerWaalsContact O-N 3.14Å; D64-A66 VanDerWaalsContact C-N 3.32Å; D64-A66 PolarHBondContact O-N 3.44Å; A66-R69 PolarHBondContact O-N 2.95Å; A66-L70 WeakPolarHBondContact O-CB 3.49Å; A66-L70 PolarHBondContact O-N 3.43Å |
| 67 | Q | 98.1 | Very high | 98 | Very high | 107 Ų | 107 | 102.9 Ų | 102.9 | 50% | 0.5 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.8 | -44.1 | 177 | -73.8 | 178.1 | -14 | 0 | 0 | 112.1 | L63 D64 R69 L70 A71 | L63-Q67 HydrophobicContact CD1-CG 4.37Å; L63-Q67 WeakPolarHBondContact O-CG 3.36Å; L63-Q67 PolarHBondContact O-N 3.39Å; D64-Q67 PolarHBondContact O-N 3.38Å; Q67-R69 VanDerWaalsContact C-N 3.33Å; Q67-R69 PolarHBondContact O-N 2.68Å; Q67-L70 PolarHBondContact O-N 3.04Å; Q67-A71 WeakPolarHBondContact O-CB 3.25Å; Q67-A71 PolarHBondContact O-N 2.86Å |
| 68 | E | 98.1 | Very high | 98.1 | Very high | 138 Ų | 138 | 102.1 Ų | 102.1 | 65% | 0.645 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.1 | -42.3 | 175.5 | -72.9 | -178.3 | 168.1 | 0 | 0 | 112.1 | D64 A71 T72 | D64-E68 WeakPolarHBondContact O-CG 3.45Å; D64-E68 PolarHBondContact O-N 2.97Å; E68-A71 PolarHBondContact O-N 3.44Å; E68-T72 PolarHBondContact O-N 2.96Å; E68-T72 PolarHBondContact O-OG1 3.38Å |
| 69 | R | 98.1 | Very high | 98.1 | Very high | 187 Ų | 187 | 102.2 Ų | 102.2 | 71% | 0.706 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.1 | -43.1 | 175.4 | -74.4 | 173.3 | -178.4 | 178.8 | 2.1 | 111.7 | R65 A66 Q67 T72 A73 | R65-R69 VanDerWaalsContact O-CG 3.25Å; R65-R69 WeakPolarHBondContact O-CG 3.35Å; R65-R69 PolarHBondContact O-N 3.47Å; A66-R69 PolarHBondContact O-N 2.95Å; Q67-R69 VanDerWaalsContact C-N 3.33Å; Q67-R69 PolarHBondContact O-N 2.68Å; R69-T72 PolarHBondContact O-N 3.08Å; R69-A73 WeakPolarHBondContact O-CB 3.48Å; R69-A73 PolarHBondContact O-N 2.94Å |
| 70 | L | 98 | Very high | 98.1 | Very high | 103 Ų | 103 | 101.3 Ų | 101.3 | 54% | 0.539 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.3 | -46 | 177.3 | 179.1 | 62.4 | 0 | 0 | 0 | 111.2 | A66 Q67 T72 A73 L74 | A66-L70 WeakPolarHBondContact O-CB 3.49Å; A66-L70 PolarHBondContact O-N 3.43Å; Q67-L70 PolarHBondContact O-N 3.04Å; L70-T72 VanDerWaalsContact C-N 3.31Å; L70-T72 PolarHBondContact O-N 3.47Å; L70-A73 PolarHBondContact O-N 3.01Å; L70-A73 VanDerWaalsContact O-N 3.13Å; L70-L74 HydrophobicContact CD1-CD1 4.27Å; L70-L74 HydrophobicContact CD1-CG 4.21Å; L70-L74 HydrophobicContact CG-CD1 4.06Å; L70-L74 HydrophobicContact CG-CG 4.43Å; L70-L74 WeakPolarHBondContact O-CG 3.39Å; L70-L74 PolarHBondContact O-N 3.43Å |
| 71 | A | 98.3 | Very high | 98.1 | Very high | 59 Ų | 59 | 101.4 Ų | 101.4 | 49% | 0.488 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.7 | -45.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q67 E68 A73 L74 Q75 | Q67-A71 WeakPolarHBondContact O-CB 3.25Å; Q67-A71 PolarHBondContact O-N 2.86Å; E68-A71 PolarHBondContact O-N 3.44Å; A71-A73 PolarHBondContact O-N 3.19Å; A71-L74 PolarHBondContact O-N 3.16Å; A71-Q75 PolarHBondContact O-N 2.93Å |
| 72 | T | 98.2 | Very high | 98.1 | Very high | 69 Ų | 69 | 102.4 Ų | 102.4 | 42% | 0.423 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.8 | -40 | 176.4 | -54.6 | 0 | 0 | 0 | 0 | 112.1 | E68 R69 L70 K76 | E68-T72 PolarHBondContact O-N 2.96Å; E68-T72 PolarHBondContact O-OG1 3.38Å; R69-T72 PolarHBondContact O-N 3.08Å; L70-T72 VanDerWaalsContact C-N 3.31Å; L70-T72 PolarHBondContact O-N 3.47Å; T72-K76 WeakPolarHBondContact O-CG 3.25Å; T72-K76 PolarHBondContact O-N 3.4Å; T72-K76 VanDerWaalsContact O-N 3.13Å |
| 73 | A | 98.3 | Very high | 98.1 | Very high | 57 Ų | 57 | 99 Ų | 99 | 47% | 0.471 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.4 | -40.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R69 L70 A71 K76 L77 | R69-A73 WeakPolarHBondContact O-CB 3.48Å; R69-A73 PolarHBondContact O-N 2.94Å; L70-A73 PolarHBondContact O-N 3.01Å; L70-A73 VanDerWaalsContact O-N 3.13Å; A71-A73 PolarHBondContact O-N 3.19Å; A73-K76 PolarHBondContact O-N 2.87Å; A73-L77 WeakPolarHBondContact O-CB 3.47Å; A73-L77 PolarHBondContact O-N 3.41Å |
| 74 | L | 98.3 | Very high | 98.1 | Very high | 100 Ų | 100 | 97.2 Ų | 97.2 | 52% | 0.524 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 176.4 | -71.6 | 172.5 | 0 | 0 | 0 | 111.8 | L70 A71 K76 L77 E78 | L70-L74 HydrophobicContact CD1-CD1 4.27Å; L70-L74 HydrophobicContact CD1-CG 4.21Å; L70-L74 HydrophobicContact CG-CD1 4.06Å; L70-L74 HydrophobicContact CG-CG 4.43Å; L70-L74 WeakPolarHBondContact O-CG 3.39Å; L70-L74 PolarHBondContact O-N 3.43Å; A71-L74 PolarHBondContact O-N 3.16Å; L74-K76 VanDerWaalsContact C-N 3.35Å; L74-K76 PolarHBondContact O-N 2.98Å; L74-L77 WeakPolarHBondContact O-CB 3.43Å; L74-L77 PolarHBondContact O-N 3.22Å; L74-E78 PolarHBondContact O-N 3.05Å |
| 75 | Q | 98.4 | Very high | 98.1 | Very high | 114 Ų | 114 | 97 Ų | 97 | 53% | 0.533 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 175.8 | -175.1 | -176.9 | -17.3 | 0 | 0 | 111.6 | A71 L77 E78 E79 | A71-Q75 PolarHBondContact O-N 2.93Å; Q75-L77 VanDerWaalsContact C-N 3.29Å; Q75-L77 PolarHBondContact O-N 3.37Å; Q75-E78 PolarHBondContact O-N 3.29Å; Q75-E79 PolarHBondContact NE2-OE1 3.45Å; Q75-E79 VanDerWaalsContact NE2-OE1 3.08Å; Q75-E79 WeakPolarHBondContact O-CG 3.48Å; Q75-E79 PolarHBondContact O-N 2.99Å |
| 76 | K | 98.4 | Very high | 98.1 | Very high | 138 Ų | 138 | 97.4 Ų | 97.4 | 60% | 0.6 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.5 | -35.8 | 177.2 | -73.8 | 179.1 | 179.5 | -178.8 | 0 | 112.7 | T72 A73 L74 A80 | T72-K76 WeakPolarHBondContact O-CG 3.25Å; T72-K76 PolarHBondContact O-N 3.4Å; T72-K76 VanDerWaalsContact O-N 3.13Å; A73-K76 PolarHBondContact O-N 2.87Å; L74-K76 VanDerWaalsContact C-N 3.35Å; L74-K76 PolarHBondContact O-N 2.98Å; K76-A80 WeakPolarHBondContact O-CB 3.4Å; K76-A80 PolarHBondContact O-N 3.13Å |
| 77 | L | 98.2 | Very high | 98.1 | Very high | 92 Ų | 92 | 98.9 Ų | 98.9 | 48% | 0.482 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64 | -47 | 175.9 | -179.5 | 63.4 | 0 | 0 | 0 | 110.6 | A73 L74 Q75 E79 A80 E81 | A73-L77 WeakPolarHBondContact O-CB 3.47Å; A73-L77 PolarHBondContact O-N 3.41Å; L74-L77 WeakPolarHBondContact O-CB 3.43Å; L74-L77 PolarHBondContact O-N 3.22Å; Q75-L77 VanDerWaalsContact C-N 3.29Å; Q75-L77 PolarHBondContact O-N 3.37Å; L77-E79 VanDerWaalsContact C-N 3.33Å; L77-E79 PolarHBondContact O-N 3.4Å; L77-A80 PolarHBondContact O-N 3.49Å; L77-A80 VanDerWaalsContact O-N 3.16Å; L77-E81 HydrophobicContact CD1-CG 4.47Å; L77-E81 WeakPolarHBondContact O-CG 3.46Å; L77-E81 PolarHBondContact O-N 3.06Å |
| 78 | E | 98.2 | Very high | 98.1 | Very high | 101 Ų | 101 | 98.1 Ų | 98.1 | 47% | 0.472 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.7 | -40 | 178.5 | -168.6 | -172.7 | 157.9 | 0 | 0 | 112.1 | L74 Q75 E81 K82 | L74-E78 PolarHBondContact O-N 3.05Å; Q75-E78 PolarHBondContact O-N 3.29Å; E78-E81 PolarHBondContact O-N 3.08Å; E78-K82 WeakPolarHBondContact O-CG 3.42Å; E78-K82 PolarHBondContact O-N 3.42Å; E78-K82 WeakPolarHBondContact OE1-CE 3.24Å; E78-K82 IonicContact OE1-NZ 3.52Å; E78-K82 PolarHBondContact OE1-NZ 3.07Å |
| 79 | E | 98.1 | Very high | 98.1 | Very high | 106 Ų | 106 | 99.9 Ų | 99.9 | 50% | 0.495 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 174.7 | -71.8 | 172.5 | -168.5 | 0 | 0 | 111.9 | Q75 L77 K82 A83 | Q75-E79 PolarHBondContact NE2-OE1 3.45Å; Q75-E79 VanDerWaalsContact NE2-OE1 3.08Å; Q75-E79 WeakPolarHBondContact O-CG 3.48Å; Q75-E79 PolarHBondContact O-N 2.99Å; L77-E79 VanDerWaalsContact C-N 3.33Å; L77-E79 PolarHBondContact O-N 3.4Å; E79-K82 PolarHBondContact O-N 3.37Å; E79-A83 WeakPolarHBondContact O-CB 3.33Å; E79-A83 PolarHBondContact O-N 3.42Å |
| 80 | A | 98.1 | Very high | 98.1 | Very high | 60 Ų | 60 | 92.5 Ų | 92.5 | 50% | 0.496 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.4 | -38.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K76 L77 A83 A84 | K76-A80 WeakPolarHBondContact O-CB 3.4Å; K76-A80 PolarHBondContact O-N 3.13Å; L77-A80 PolarHBondContact O-N 3.49Å; L77-A80 VanDerWaalsContact O-N 3.16Å; A80-A83 PolarHBondContact O-N 2.96Å; A80-A84 WeakPolarHBondContact O-CB 3.41Å; A80-A84 PolarHBondContact O-N 3.38Å |
| 81 | E | 97.8 | Very high | 98 | Very high | 110 Ų | 110 | 93 Ų | 93 | 51% | 0.514 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 174.9 | -75 | 176.3 | 172.2 | 0 | 0 | 111.1 | L77 E78 A83 A84 D85 | L77-E81 HydrophobicContact CD1-CG 4.47Å; L77-E81 WeakPolarHBondContact O-CG 3.46Å; L77-E81 PolarHBondContact O-N 3.06Å; E78-E81 PolarHBondContact O-N 3.08Å; E81-A83 VanDerWaalsContact C-N 3.34Å; E81-A83 PolarHBondContact O-N 2.68Å; E81-A84 WeakPolarHBondContact O-CB 3.5Å; E81-A84 PolarHBondContact O-N 2.94Å; E81-A84 VanDerWaalsContact O-N 3.17Å; E81-D85 PolarHBondContact O-N 2.92Å |
| 82 | K | 98.1 | Very high | 98 | Very high | 112 Ų | 112 | 94.9 Ų | 94.9 | 49% | 0.487 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 175.2 | -73.1 | 172.6 | -173.4 | 163.2 | 0 | 112.1 | E78 E79 A84 D85 E86 | E78-K82 WeakPolarHBondContact O-CG 3.42Å; E78-K82 PolarHBondContact O-N 3.42Å; E78-K82 WeakPolarHBondContact OE1-CE 3.24Å; E78-K82 IonicContact OE1-NZ 3.52Å; E78-K82 PolarHBondContact OE1-NZ 3.07Å; E79-K82 PolarHBondContact O-N 3.37Å; K82-A84 VanDerWaalsContact C-N 3.33Å; K82-A84 PolarHBondContact O-N 2.88Å; K82-D85 PolarHBondContact O-N 3.48Å; K82-E86 WeakPolarHBondContact O-CG 3.42Å; K82-E86 PolarHBondContact O-N 3.38Å |
| 83 | A | 97.9 | Very high | 98 | Very high | 56 Ų | 56 | 95.1 Ų | 95.1 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.4 | -37.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E79 A80 E81 S87 | E79-A83 WeakPolarHBondContact O-CB 3.33Å; E79-A83 PolarHBondContact O-N 3.42Å; A80-A83 PolarHBondContact O-N 2.96Å; E81-A83 VanDerWaalsContact C-N 3.34Å; E81-A83 PolarHBondContact O-N 2.68Å; A83-S87 WeakPolarHBondContact O-CB 3.49Å; A83-S87 PolarHBondContact O-N 3Å |
| 84 | A | 98.1 | Very high | 98 | Very high | 58 Ų | 58 | 97.8 Ų | 97.8 | 48% | 0.479 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.9 | -44.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A80 E81 K82 E86 S87 E88 | A80-A84 WeakPolarHBondContact O-CB 3.41Å; A80-A84 PolarHBondContact O-N 3.38Å; E81-A84 WeakPolarHBondContact O-CB 3.5Å; E81-A84 PolarHBondContact O-N 2.94Å; E81-A84 VanDerWaalsContact O-N 3.17Å; K82-A84 VanDerWaalsContact C-N 3.33Å; K82-A84 PolarHBondContact O-N 2.88Å; A84-E86 PolarHBondContact O-N 3.21Å; A84-S87 WeakPolarHBondContact O-CB 3.43Å; A84-S87 PolarHBondContact O-N 3.46Å; A84-E88 PolarHBondContact O-N 3.17Å |
| 85 | D | 98 | Very high | 98 | Very high | 88 Ų | 88 | 98.3 Ų | 98.3 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.3 | -42.4 | 176.6 | -78 | -7.5 | 0 | 0 | 0 | 112.1 | E81 K82 E88 R89 | E81-D85 PolarHBondContact O-N 2.92Å; K82-D85 PolarHBondContact O-N 3.48Å; D85-E88 PolarHBondContact O-N 3.4Å; D85-R89 WeakPolarHBondContact O-CG 3.39Å; D85-R89 PolarHBondContact O-N 3.04Å |
| 86 | E | 97.7 | Very high | 98 | Very high | 138 Ų | 138 | 97.3 Ų | 97.3 | 65% | 0.645 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.6 | -40.6 | 175.5 | -73.5 | -179.9 | 178.8 | 0 | 0 | 111.8 | K82 A84 R89 G90 | K82-E86 WeakPolarHBondContact O-CG 3.42Å; K82-E86 PolarHBondContact O-N 3.38Å; A84-E86 PolarHBondContact O-N 3.21Å; E86-R89 PolarHBondContact O-N 3.05Å; E86-G90 PolarHBondContact O-N 3.47Å |
| 87 | S | 97.7 | Very high | 98 | Very high | 84 Ų | 84 | 98.5 Ų | 98.5 | 59% | 0.587 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.9 | -43.7 | 174.9 | -171.5 | 0 | 0 | 0 | 0 | 112 | A83 A84 R89 G90 M91 | A83-S87 WeakPolarHBondContact O-CB 3.49Å; A83-S87 PolarHBondContact O-N 3Å; A84-S87 WeakPolarHBondContact O-CB 3.43Å; A84-S87 PolarHBondContact O-N 3.46Å; S87-R89 VanDerWaalsContact C-N 3.33Å; S87-R89 PolarHBondContact O-N 3.01Å; S87-G90 PolarHBondContact O-N 2.95Å; S87-G90 VanDerWaalsContact O-N 3.16Å; S87-M91 PolarHBondContact O-N 2.78Å |
| 88 | E | 97.9 | Very high | 98 | Very high | 90 Ų | 90 | 96.6 Ų | 96.6 | 42% | 0.421 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 177.3 | -165.7 | -167.7 | 150.2 | 0 | 0 | 111.4 | A84 D85 M91 K92 | A84-E88 PolarHBondContact O-N 3.17Å; D85-E88 PolarHBondContact O-N 3.4Å; E88-M91 PolarHBondContact O-N 3.46Å; E88-K92 PolarHBondContact O-N 3.07Å; E88-K92 VanDerWaalsContact OE1-CE 3.24Å; E88-K92 WeakPolarHBondContact OE1-CE 3.38Å; E88-K92 IonicContact OE1-NZ 3.27Å; E88-K92 PolarHBondContact OE1-NZ 3.26Å |
| 89 | R | 97.9 | Very high | 97.9 | Very high | 175 Ų | 175 | 95.9 Ų | 95.9 | 66% | 0.66 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.2 | -45.1 | 173.5 | -70.2 | 173.3 | -173.3 | -173.1 | 4.4 | 111.3 | D85 E86 S87 M91 K92 V93 | D85-R89 WeakPolarHBondContact O-CG 3.39Å; D85-R89 PolarHBondContact O-N 3.04Å; E86-R89 PolarHBondContact O-N 3.05Å; S87-R89 VanDerWaalsContact C-N 3.33Å; S87-R89 PolarHBondContact O-N 3.01Å; R89-M91 VanDerWaalsContact C-N 3.32Å; R89-M91 PolarHBondContact O-N 3.04Å; R89-K92 PolarHBondContact O-N 3.32Å; R89-V93 WeakPolarHBondContact O-CG2 3.4Å; R89-V93 PolarHBondContact O-N 3.09Å; R89-V93 VanDerWaalsContact O-N 3.09Å |
| 90 | G | 97.7 | Very high | 98 | Very high | 32 Ų | 32 | 97.6 Ų | 97.6 | 33% | 0.33 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.3 | -45.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E86 S87 V93 I94 | E86-G90 PolarHBondContact O-N 3.47Å; S87-G90 PolarHBondContact O-N 2.95Å; S87-G90 VanDerWaalsContact O-N 3.16Å; G90-V93 PolarHBondContact O-N 2.89Å; G90-I94 WeakPolarHBondContact O-CG1 3.48Å; G90-I94 PolarHBondContact O-N 3.34Å |
| 91 | M | 97.4 | Very high | 97.9 | Very high | 115 Ų | 115 | 99.5 Ų | 99.5 | 57% | 0.567 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.5 | -48.8 | 177.3 | -171.3 | -179 | 77 | 0 | 0 | 111.7 | S87 E88 R89 V93 I94 E95 | S87-M91 PolarHBondContact O-N 2.78Å; E88-M91 PolarHBondContact O-N 3.46Å; R89-M91 VanDerWaalsContact C-N 3.32Å; R89-M91 PolarHBondContact O-N 3.04Å; M91-V93 VanDerWaalsContact C-N 3.29Å; M91-V93 PolarHBondContact O-N 3.01Å; M91-I94 PolarHBondContact O-N 3.34Å; M91-I94 VanDerWaalsContact O-N 3.13Å; M91-E95 WeakPolarHBondContact O-CB 3.47Å; M91-E95 PolarHBondContact O-N 3.13Å |
| 92 | K | 98.2 | Very high | 98 | Very high | 98 Ų | 98 | 99.7 Ų | 99.7 | 43% | 0.426 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.2 | -37.5 | 177.8 | -74.8 | 177.3 | -175.7 | 163.3 | 0 | 112.5 | E88 R89 N96 | E88-K92 PolarHBondContact O-N 3.07Å; E88-K92 VanDerWaalsContact OE1-CE 3.24Å; E88-K92 WeakPolarHBondContact OE1-CE 3.38Å; E88-K92 IonicContact OE1-NZ 3.27Å; E88-K92 PolarHBondContact OE1-NZ 3.26Å; R89-K92 PolarHBondContact O-N 3.32Å; K92-N96 WeakPolarHBondContact O-CB 3.43Å; K92-N96 PolarHBondContact O-N 3.45Å; K92-N96 PolarHBondContact O-ND2 3.16Å |
| 93 | V | 98.3 | Very high | 98 | Very high | 73 Ų | 73 | 100.6 Ų | 100.6 | 44% | 0.442 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 176.6 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | R89 G90 M91 R97 | R89-V93 WeakPolarHBondContact O-CG2 3.4Å; R89-V93 PolarHBondContact O-N 3.09Å; R89-V93 VanDerWaalsContact O-N 3.09Å; G90-V93 PolarHBondContact O-N 2.89Å; M91-V93 VanDerWaalsContact C-N 3.29Å; M91-V93 PolarHBondContact O-N 3.01Å; V93-R97 WeakPolarHBondContact O-CG 3.42Å; V93-R97 PolarHBondContact O-N 3.03Å; V93-R97 VanDerWaalsContact O-N 3.1Å |
| 94 | I | 97.9 | Very high | 98 | Very high | 114 Ų | 114 | 103.7 Ų | 103.7 | 59% | 0.585 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.7 | -44.4 | 178.4 | -67.4 | 167.3 | 0 | 0 | 0 | 110.5 | G90 M91 N96 R97 A98 | G90-I94 WeakPolarHBondContact O-CG1 3.48Å; G90-I94 PolarHBondContact O-N 3.34Å; M91-I94 PolarHBondContact O-N 3.34Å; M91-I94 VanDerWaalsContact O-N 3.13Å; I94-N96 PolarHBondContact O-N 2.85Å; I94-R97 WeakPolarHBondContact O-CB 3.38Å; I94-R97 PolarHBondContact O-N 3.45Å; I94-R97 VanDerWaalsContact O-N 3.11Å; I94-A98 PolarHBondContact O-N 3.32Å |
| 95 | E | 97.7 | Very high | 98 | Very high | 110 Ų | 110 | 106.2 Ų | 106.2 | 51% | 0.514 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.1 | -47.7 | 176.5 | -176.1 | 178.9 | -158.1 | 0 | 0 | 111.6 | M91 R97 A98 L99 | M91-E95 WeakPolarHBondContact O-CB 3.47Å; M91-E95 PolarHBondContact O-N 3.13Å; E95-R97 VanDerWaalsContact C-N 3.26Å; E95-R97 PolarHBondContact O-N 3.19Å; E95-A98 PolarHBondContact O-N 3.5Å; E95-L99 WeakPolarHBondContact O-CG 3.44Å; E95-L99 PolarHBondContact O-N 3.4Å |
| 96 | N | 97.9 | Very high | 98 | Very high | 93 Ų | 93 | 107.7 Ų | 107.7 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.6 | -31.4 | 176.2 | -81.7 | -72.3 | 0 | 0 | 0 | 113.4 | K92 I94 K100 | K92-N96 WeakPolarHBondContact O-CB 3.43Å; K92-N96 PolarHBondContact O-N 3.45Å; K92-N96 PolarHBondContact O-ND2 3.16Å; I94-N96 PolarHBondContact O-N 2.85Å; N96-K100 WeakPolarHBondContact O-CG 3.32Å; N96-K100 PolarHBondContact O-N 2.91Å |
| 97 | R | 98.4 | Very high | 98 | Very high | 163 Ų | 163 | 105.8 Ų | 105.8 | 62% | 0.615 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -71.9 | -45.3 | 174.1 | -73.9 | 177 | -174.3 | 175.8 | 2.7 | 110.8 | V93 I94 E95 L99 K100 D101 | V93-R97 WeakPolarHBondContact O-CG 3.42Å; V93-R97 PolarHBondContact O-N 3.03Å; V93-R97 VanDerWaalsContact O-N 3.1Å; I94-R97 WeakPolarHBondContact O-CB 3.38Å; I94-R97 PolarHBondContact O-N 3.45Å; I94-R97 VanDerWaalsContact O-N 3.11Å; E95-R97 VanDerWaalsContact C-N 3.26Å; E95-R97 PolarHBondContact O-N 3.19Å; R97-L99 VanDerWaalsContact C-N 3.33Å; R97-L99 PolarHBondContact O-N 2.97Å; R97-K100 PolarHBondContact O-N 3.29Å; R97-D101 PolarHBondContact O-N 3.4Å |
| 98 | A | 98.1 | Very high | 98 | Very high | 53 Ų | 53 | 106.8 Ų | 106.8 | 44% | 0.438 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -57.8 | -44.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I94 E95 K100 D101 E102 | I94-A98 PolarHBondContact O-N 3.32Å; E95-A98 PolarHBondContact O-N 3.5Å; A98-K100 PolarHBondContact O-N 3.1Å; A98-D101 PolarHBondContact O-N 3.41Å; A98-E102 WeakPolarHBondContact O-CB 3.38Å; A98-E102 PolarHBondContact O-N 3.42Å |
| 99 | L | 98.1 | Very high | 98 | Very high | 86 Ų | 86 | 107.3 Ų | 107.3 | 45% | 0.45 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 176.3 | -71 | 171.8 | 0 | 0 | 0 | 112.5 | E95 R97 D101 E102 E103 | E95-L99 WeakPolarHBondContact O-CG 3.44Å; E95-L99 PolarHBondContact O-N 3.4Å; R97-L99 VanDerWaalsContact C-N 3.33Å; R97-L99 PolarHBondContact O-N 2.97Å; L99-D101 VanDerWaalsContact C-N 3.34Å; L99-D101 PolarHBondContact O-N 3.19Å; L99-E102 PolarHBondContact O-N 2.87Å; L99-E103 WeakPolarHBondContact O-CG 3.29Å; L99-E103 PolarHBondContact O-N 2.97Å |
| 100 | K | 98.2 | Very high | 98.1 | Very high | 141 Ų | 141 | 103.2 Ų | 103.2 | 61% | 0.613 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.9 | -36.8 | 177.6 | -72.2 | 178.2 | -179 | -176.5 | 0 | 112.6 | N96 R97 A98 E102 K104 | N96-K100 WeakPolarHBondContact O-CG 3.32Å; N96-K100 PolarHBondContact O-N 2.91Å; R97-K100 PolarHBondContact O-N 3.29Å; A98-K100 PolarHBondContact O-N 3.1Å; K100-E102 VanDerWaalsContact C-N 3.33Å; K100-K104 WeakPolarHBondContact O-CB 3.38Å; K100-K104 PolarHBondContact O-N 3.11Å |
| 101 | D | 98 | Very high | 98.1 | Very high | 100 Ų | 100 | 106.8 Ų | 106.8 | 54% | 0.535 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.9 | -36.5 | 176.6 | -71.6 | -23.4 | 0 | 0 | 0 | 110.8 | R97 A98 L99 K104 M105 | R97-D101 PolarHBondContact O-N 3.4Å; A98-D101 PolarHBondContact O-N 3.41Å; L99-D101 VanDerWaalsContact C-N 3.34Å; L99-D101 PolarHBondContact O-N 3.19Å; D101-K104 PolarHBondContact O-N 3.26Å; D101-M105 WeakPolarHBondContact O-CB 3.48Å; D101-M105 PolarHBondContact O-N 3.46Å |
| 102 | E | 98.3 | Very high | 98.1 | Very high | 115 Ų | 115 | 105.9 Ų | 105.9 | 54% | 0.537 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.8 | -50.8 | 173.7 | -170 | 167.8 | -158.8 | 0 | 0 | 111.7 | A98 L99 K100 K104 M105 E106 | A98-E102 WeakPolarHBondContact O-CB 3.38Å; A98-E102 PolarHBondContact O-N 3.42Å; L99-E102 PolarHBondContact O-N 2.87Å; K100-E102 VanDerWaalsContact C-N 3.33Å; E102-K104 VanDerWaalsContact C-N 3.25Å; E102-K104 PolarHBondContact O-N 3.14Å; E102-M105 WeakPolarHBondContact O-CB 3.43Å; E102-M105 PolarHBondContact O-N 2.97Å; E102-E106 PolarHBondContact O-N 3.03Å |
| 103 | E | 97.9 | Very high | 98.2 | Very high | 130 Ų | 130 | 106.9 Ų | 106.9 | 61% | 0.607 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -55.8 | -41.2 | 174.5 | -72.6 | 175.6 | 173.9 | 0 | 0 | 112.1 | L99 L107 | L99-E103 WeakPolarHBondContact O-CG 3.29Å; L99-E103 PolarHBondContact O-N 2.97Å; E103-L107 PolarHBondContact O-N 3.25Å; E103-L107 VanDerWaalsContact O-N 3.14Å |
| 104 | K | 98.4 | Very high | 98.2 | Very high | 122 Ų | 122 | 108.9 Ų | 108.9 | 53% | 0.53 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.4 | -39.1 | 177.3 | -174.8 | 179.6 | 177.3 | -174 | 0 | 111.7 | K100 D101 E102 L107 Q108 | K100-K104 WeakPolarHBondContact O-CB 3.38Å; K100-K104 PolarHBondContact O-N 3.11Å; D101-K104 PolarHBondContact O-N 3.26Å; E102-K104 VanDerWaalsContact C-N 3.25Å; E102-K104 PolarHBondContact O-N 3.14Å; K104-L107 PolarHBondContact O-N 3.09Å; K104-Q108 WeakPolarHBondContact O-CB 3.47Å; K104-Q108 VanDerWaalsContact O-CG 3.29Å; K104-Q108 WeakPolarHBondContact O-CG 3.37Å; K104-Q108 PolarHBondContact O-N 2.98Å |
| 105 | M | 97.8 | Very high | 98.2 | Very high | 111 Ų | 111 | 106 Ų | 106 | 55% | 0.547 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 177.4 | -168.9 | 178.2 | -54.9 | 0 | 0 | 110.7 | D101 E102 L107 Q108 E109 | D101-M105 WeakPolarHBondContact O-CB 3.48Å; D101-M105 PolarHBondContact O-N 3.46Å; E102-M105 WeakPolarHBondContact O-CB 3.43Å; E102-M105 PolarHBondContact O-N 2.97Å; M105-L107 VanDerWaalsContact C-N 3.34Å; M105-L107 PolarHBondContact O-N 3.3Å; M105-Q108 PolarHBondContact O-N 3.32Å; M105-E109 WeakPolarHBondContact O-CG 3.44Å; M105-E109 PolarHBondContact O-N 3.26Å |
| 106 | E | 98.3 | Very high | 98.2 | Very high | 118 Ų | 118 | 106.4 Ų | 106.4 | 55% | 0.551 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -58.9 | -44.5 | 176.3 | -68.9 | -174.4 | 164.6 | 0 | 0 | 112.1 | E102 Q108 E109 I110 | E102-E106 PolarHBondContact O-N 3.03Å; E106-Q108 VanDerWaalsContact C-N 3.34Å; E106-Q108 PolarHBondContact O-N 2.91Å; E106-E109 PolarHBondContact O-N 2.89Å; E106-I110 WeakPolarHBondContact O-CG1 3.4Å; E106-I110 PolarHBondContact O-N 3.48Å; E106-I110 VanDerWaalsContact O-N 3.11Å |
| 107 | L | 98.2 | Very high | 98.3 | Very high | 98 Ų | 98 | 107.3 Ų | 107.3 | 51% | 0.513 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 176.5 | -176.2 | 67 | 0 | 0 | 0 | 111.8 | E103 K104 M105 E109 I110 Q111 | E103-L107 PolarHBondContact O-N 3.25Å; E103-L107 VanDerWaalsContact O-N 3.14Å; K104-L107 PolarHBondContact O-N 3.09Å; M105-L107 VanDerWaalsContact C-N 3.34Å; M105-L107 PolarHBondContact O-N 3.3Å; L107-E109 VanDerWaalsContact C-N 3.31Å; L107-E109 PolarHBondContact O-N 2.95Å; L107-I110 PolarHBondContact O-N 3.05Å; L107-Q111 WeakPolarHBondContact O-CG 3.29Å; L107-Q111 PolarHBondContact O-N 3.18Å |
| 108 | Q | 98.1 | Very high | 98.3 | Very high | 105 Ų | 105 | 105.1 Ų | 105.1 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.3 | -34.9 | 177.6 | -74.4 | -179.1 | -31.9 | 0 | 0 | 112.1 | K104 M105 E106 Q111 L112 | K104-Q108 WeakPolarHBondContact O-CB 3.47Å; K104-Q108 VanDerWaalsContact O-CG 3.29Å; K104-Q108 WeakPolarHBondContact O-CG 3.37Å; K104-Q108 PolarHBondContact O-N 2.98Å; M105-Q108 PolarHBondContact O-N 3.32Å; E106-Q108 VanDerWaalsContact C-N 3.34Å; E106-Q108 PolarHBondContact O-N 2.91Å; Q108-Q111 PolarHBondContact O-N 3.2Å; Q108-L112 VanDerWaalsContact O-CB 3.29Å; Q108-L112 WeakPolarHBondContact O-CB 3.5Å; Q108-L112 PolarHBondContact O-N 3.11Å |
| 109 | E | 98.4 | Very high | 98.3 | Very high | 102 Ų | 102 | 104.9 Ų | 104.9 | 48% | 0.477 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 174.3 | -76.4 | -169.2 | 179.6 | 0 | 0 | 112.6 | M105 E106 L107 L112 K113 | M105-E109 WeakPolarHBondContact O-CG 3.44Å; M105-E109 PolarHBondContact O-N 3.26Å; E106-E109 PolarHBondContact O-N 2.89Å; L107-E109 VanDerWaalsContact C-N 3.31Å; L107-E109 PolarHBondContact O-N 2.95Å; E109-L112 PolarHBondContact O-N 3.46Å; E109-K113 WeakPolarHBondContact O-CG 3.47Å; E109-K113 PolarHBondContact O-N 3.01Å |
| 110 | I | 98.4 | Very high | 98.3 | Very high | 88 Ų | 88 | 105 Ų | 105 | 45% | 0.451 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63 | -50 | 176 | -66.2 | 168.4 | 0 | 0 | 0 | 109.7 | E106 L107 L112 K113 E114 | E106-I110 WeakPolarHBondContact O-CG1 3.4Å; E106-I110 PolarHBondContact O-N 3.48Å; E106-I110 VanDerWaalsContact O-N 3.11Å; L107-I110 PolarHBondContact O-N 3.05Å; I110-L112 VanDerWaalsContact C-N 3.26Å; I110-L112 PolarHBondContact O-N 2.89Å; I110-K113 WeakPolarHBondContact O-CB 3.49Å; I110-K113 PolarHBondContact O-N 3.48Å; I110-K113 VanDerWaalsContact O-N 3.09Å; I110-E114 WeakPolarHBondContact O-CG 3.35Å; I110-E114 PolarHBondContact O-N 2.88Å |
| 111 | Q | 98.3 | Very high | 98.3 | Very high | 107 Ų | 107 | 103.3 Ų | 103.3 | 50% | 0.5 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.7 | -38.8 | 177.5 | -71.5 | 178.6 | -12.3 | 0 | 0 | 112.2 | L107 Q108 E114 A115 | L107-Q111 WeakPolarHBondContact O-CG 3.29Å; L107-Q111 PolarHBondContact O-N 3.18Å; Q108-Q111 PolarHBondContact O-N 3.2Å; Q111-E114 PolarHBondContact O-N 3.39Å; Q111-A115 WeakPolarHBondContact O-CB 3.35Å; Q111-A115 PolarHBondContact O-N 2.96Å |
| 112 | L | 98.4 | Very high | 98.3 | Very high | 96 Ų | 96 | 100.3 Ų | 100.3 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.1 | -41.2 | 176.5 | -179.2 | 63.9 | 0 | 0 | 0 | 111.8 | Q108 E109 I110 K116 | Q108-L112 VanDerWaalsContact O-CB 3.29Å; Q108-L112 WeakPolarHBondContact O-CB 3.5Å; Q108-L112 PolarHBondContact O-N 3.11Å; E109-L112 PolarHBondContact O-N 3.46Å; I110-L112 VanDerWaalsContact C-N 3.26Å; I110-L112 PolarHBondContact O-N 2.89Å; L112-K116 VanDerWaalsContact O-CG 3.31Å; L112-K116 WeakPolarHBondContact O-CG 3.38Å; L112-K116 PolarHBondContact O-N 3.44Å |
| 113 | K | 98.6 | Very high | 98.3 | Very high | 120 Ų | 120 | 99.4 Ų | 99.4 | 52% | 0.522 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.9 | -44.5 | 175.9 | -74.3 | 170.4 | -176.9 | 164.6 | 0 | 111.2 | E109 I110 K116 H117 | E109-K113 WeakPolarHBondContact O-CG 3.47Å; E109-K113 PolarHBondContact O-N 3.01Å; I110-K113 WeakPolarHBondContact O-CB 3.49Å; I110-K113 PolarHBondContact O-N 3.48Å; I110-K113 VanDerWaalsContact O-N 3.09Å; K113-K116 PolarHBondContact O-N 3.33Å; K113-H117 PolarHBondContact O-CD2 3.23Å; K113-H117 PolarHBondContact O-N 2.99Å |
| 114 | E | 98.3 | Very high | 98.4 | Very high | 114 Ų | 114 | 100.4 Ų | 100.4 | 53% | 0.533 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.3 | -47 | 176.4 | -70.9 | 177.2 | 174.9 | 0 | 0 | 111.8 | I110 Q111 K116 H117 I118 | I110-E114 WeakPolarHBondContact O-CG 3.35Å; I110-E114 PolarHBondContact O-N 2.88Å; Q111-E114 PolarHBondContact O-N 3.39Å; E114-K116 VanDerWaalsContact C-N 3.3Å; E114-K116 PolarHBondContact O-N 2.92Å; E114-H117 PolarHBondContact O-N 2.93Å; E114-I118 WeakPolarHBondContact O-CG1 3.41Å; E114-I118 PolarHBondContact O-N 3.36Å |
| 115 | A | 98.3 | Very high | 98.4 | Very high | 54 Ų | 54 | 100.7 Ų | 100.7 | 45% | 0.446 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.3 | -39.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q111 I118 A119 | Q111-A115 WeakPolarHBondContact O-CB 3.35Å; Q111-A115 PolarHBondContact O-N 2.96Å; A115-I118 PolarHBondContact O-N 3.04Å; A115-A119 PolarHBondContact O-N 3.47Å |
| 116 | K | 98.6 | Very high | 98.4 | Very high | 118 Ų | 118 | 103.5 Ų | 103.5 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.6 | -46.4 | 174.4 | -76.1 | 176.4 | 179.2 | -177.6 | 0 | 111.9 | L112 K113 E114 I118 A119 E120 | L112-K116 VanDerWaalsContact O-CG 3.31Å; L112-K116 WeakPolarHBondContact O-CG 3.38Å; L112-K116 PolarHBondContact O-N 3.44Å; K113-K116 PolarHBondContact O-N 3.33Å; E114-K116 VanDerWaalsContact C-N 3.3Å; E114-K116 PolarHBondContact O-N 2.92Å; K116-I118 VanDerWaalsContact C-N 3.33Å; K116-I118 PolarHBondContact O-N 2.98Å; K116-A119 PolarHBondContact O-N 2.93Å; K116-E120 WeakPolarHBondContact O-CG 3.48Å; K116-E120 PolarHBondContact O-N 3.04Å |
| 117 | H | 98.6 | Very high | 98.4 | Very high | 112 Ų | 112 | 103.2 Ų | 103.2 | 52% | 0.519 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.9 | -41.7 | 177.2 | -76.9 | -52.3 | 0 | 0 | 0 | 112.3 | K113 E114 A119 E120 E121 | K113-H117 PolarHBondContact O-CD2 3.23Å; K113-H117 PolarHBondContact O-N 2.99Å; E114-H117 PolarHBondContact O-N 2.93Å; H117-A119 VanDerWaalsContact C-N 3.34Å; H117-A119 PolarHBondContact O-N 3.36Å; H117-E120 IonicContact ND1-OE2 2.89Å; H117-E120 PolarHBondContact O-N 3.47Å; H117-E121 WeakPolarHBondContact O-CG 3.32Å; H117-E121 PolarHBondContact O-N 3.2Å |
| 118 | I | 98.4 | Very high | 98.4 | Very high | 117 Ų | 117 | 103.6 Ų | 103.6 | 60% | 0.6 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62 | -43.4 | 176.4 | -67.4 | 166.6 | 0 | 0 | 0 | 111 | E114 A115 K116 E121 A122 | E114-I118 WeakPolarHBondContact O-CG1 3.41Å; E114-I118 PolarHBondContact O-N 3.36Å; A115-I118 PolarHBondContact O-N 3.04Å; K116-I118 VanDerWaalsContact C-N 3.33Å; K116-I118 PolarHBondContact O-N 2.98Å; I118-E121 PolarHBondContact O-N 3.02Å; I118-A122 WeakPolarHBondContact O-CB 3.31Å; I118-A122 PolarHBondContact O-N 3.43Å |
| 119 | A | 98.6 | Very high | 98.5 | Very high | 49 Ų | 49 | 102.9 Ų | 102.9 | 41% | 0.405 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.7 | -46.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A115 K116 H117 E121 A122 D123 | A115-A119 PolarHBondContact O-N 3.47Å; K116-A119 PolarHBondContact O-N 2.93Å; H117-A119 VanDerWaalsContact C-N 3.34Å; H117-A119 PolarHBondContact O-N 3.36Å; A119-E121 VanDerWaalsContact C-N 3.33Å; A119-E121 PolarHBondContact O-N 3.47Å; A119-A122 WeakPolarHBondContact O-CB 3.37Å; A119-A122 PolarHBondContact O-N 2.87Å; A119-A122 VanDerWaalsContact O-N 3.14Å; A119-D123 PolarHBondContact O-N 3.12Å |
| 120 | E | 98.4 | Very high | 98.5 | Very high | 89 Ų | 89 | 100.5 Ų | 100.5 | 42% | 0.416 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61 | -39.8 | 177.1 | -72 | 173.5 | -171.1 | 0 | 0 | 112.5 | K116 H117 D123 R124 | K116-E120 WeakPolarHBondContact O-CG 3.48Å; K116-E120 PolarHBondContact O-N 3.04Å; H117-E120 IonicContact ND1-OE2 2.89Å; H117-E120 PolarHBondContact O-N 3.47Å; E120-D123 PolarHBondContact O-N 3.39Å; E120-R124 WeakPolarHBondContact O-CG 3.1Å; E120-R124 PolarHBondContact O-N 3.42Å |
| 121 | E | 98.5 | Very high | 98.5 | Very high | 105 Ų | 105 | 103.6 Ų | 103.6 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.5 | -37.7 | 174.9 | -76.9 | -174.1 | -172.7 | 0 | 0 | 112.6 | H117 I118 A119 K125 | H117-E121 WeakPolarHBondContact O-CG 3.32Å; H117-E121 PolarHBondContact O-N 3.2Å; I118-E121 PolarHBondContact O-N 3.02Å; A119-E121 VanDerWaalsContact C-N 3.33Å; A119-E121 PolarHBondContact O-N 3.47Å; E121-K125 WeakPolarHBondContact O-CG 3.47Å; E121-K125 PolarHBondContact O-N 3.4Å; E121-K125 VanDerWaalsContact O-N 3.12Å |
| 122 | A | 98.6 | Very high | 98.5 | Very high | 36 Ų | 36 | 104.6 Ų | 104.6 | 30% | 0.298 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.9 | -47.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | I118 A119 R124 K125 Y126 | I118-A122 WeakPolarHBondContact O-CB 3.31Å; I118-A122 PolarHBondContact O-N 3.43Å; A119-A122 WeakPolarHBondContact O-CB 3.37Å; A119-A122 PolarHBondContact O-N 2.87Å; A119-A122 VanDerWaalsContact O-N 3.14Å; A122-R124 VanDerWaalsContact C-N 3.34Å; A122-R124 PolarHBondContact O-N 3.18Å; A122-K125 WeakPolarHBondContact O-CB 3.44Å; A122-K125 PolarHBondContact O-N 2.9Å; A122-K125 VanDerWaalsContact O-N 3.12Å; A122-Y126 HydrophobicContact CB-CD2 4.44Å; A122-Y126 HydrophobicContact CB-CE2 4.36Å; A122-Y126 WeakPolarHBondContact O-CD2 3.34Å; A122-Y126 PolarHBondContact O-N 3.04Å |
| 123 | D | 98.5 | Very high | 98.5 | Very high | 97 Ų | 97 | 104.1 Ų | 104.1 | 52% | 0.519 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.7 | -44 | 178.3 | -72.3 | -21.2 | 0 | 0 | 0 | 111.7 | A119 E120 K125 Y126 E127 | A119-D123 PolarHBondContact O-N 3.12Å; E120-D123 PolarHBondContact O-N 3.39Å; D123-K125 PolarHBondContact O-N 3.14Å; D123-Y126 WeakPolarHBondContact O-CB 3.38Å; D123-Y126 PolarHBondContact O-N 3.36Å; D123-E127 WeakPolarHBondContact O-CG 3.48Å; D123-E127 PolarHBondContact O-N 2.86Å |
| 124 | R | 98.6 | Very high | 98.5 | Very high | 151 Ų | 151 | 102.9 Ų | 102.9 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.9 | -44.7 | 174.6 | -72.9 | 176.8 | -165.3 | 171.8 | 9.3 | 112.4 | E120 A122 Y126 E127 E128 | E120-R124 WeakPolarHBondContact O-CG 3.1Å; E120-R124 PolarHBondContact O-N 3.42Å; A122-R124 VanDerWaalsContact C-N 3.34Å; A122-R124 PolarHBondContact O-N 3.18Å; R124-Y126 VanDerWaalsContact C-N 3.34Å; R124-E127 PolarHBondContact O-N 3.12Å; R124-E128 WeakPolarHBondContact O-CG 3.49Å; R124-E128 PolarHBondContact O-N 3.41Å |
| 125 | K | 98.6 | Very high | 98.5 | Very high | 127 Ų | 127 | 102.6 Ų | 102.6 | 55% | 0.552 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.7 | -40.7 | 176.8 | -72.2 | 168.9 | -173.7 | 163 | 0 | 111.2 | E121 A122 D123 E128 V129 | E121-K125 WeakPolarHBondContact O-CG 3.47Å; E121-K125 PolarHBondContact O-N 3.4Å; E121-K125 VanDerWaalsContact O-N 3.12Å; A122-K125 WeakPolarHBondContact O-CB 3.44Å; A122-K125 PolarHBondContact O-N 2.9Å; A122-K125 VanDerWaalsContact O-N 3.12Å; D123-K125 PolarHBondContact O-N 3.14Å; K125-E128 PolarHBondContact O-N 3.3Å; K125-V129 WeakPolarHBondContact O-CG2 3.43Å; K125-V129 PolarHBondContact O-N 3.44Å |
| 126 | Y | 98.5 | Very high | 98.5 | Very high | 170 Ų | 170 | 105.3 Ų | 105.3 | 67% | 0.667 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.6 | -45 | 175.6 | -81.9 | -65.2 | 0 | 0 | 0 | 111.8 | A122 D123 R124 E128 V129 A130 | A122-Y126 HydrophobicContact CB-CD2 4.44Å; A122-Y126 HydrophobicContact CB-CE2 4.36Å; A122-Y126 WeakPolarHBondContact O-CD2 3.34Å; A122-Y126 PolarHBondContact O-N 3.04Å; D123-Y126 WeakPolarHBondContact O-CB 3.38Å; D123-Y126 PolarHBondContact O-N 3.36Å; R124-Y126 VanDerWaalsContact C-N 3.34Å; Y126-E128 VanDerWaalsContact C-N 3.34Å; Y126-E128 PolarHBondContact O-N 3.03Å; Y126-V129 PolarHBondContact O-N 3.36Å; Y126-A130 WeakPolarHBondContact O-CB 3.33Å; Y126-A130 PolarHBondContact O-N 2.89Å |
| 127 | E | 98.5 | Very high | 98.5 | Very high | 113 Ų | 113 | 104.6 Ų | 104.6 | 53% | 0.528 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.2 | -37.4 | 176.6 | -72.6 | -178.8 | 177 | 0 | 0 | 113.1 | D123 R124 R131 | D123-E127 WeakPolarHBondContact O-CG 3.48Å; D123-E127 PolarHBondContact O-N 2.86Å; R124-E127 PolarHBondContact O-N 3.12Å; E127-R131 WeakPolarHBondContact O-CB 3.35Å; E127-R131 WeakPolarHBondContact O-CG 3.39Å; E127-R131 PolarHBondContact O-N 3.29Å; E127-R131 PolarHBondContact O-NE 3.24Å; E127-R131 IonicContact OE2-NH2 2.65Å |
| 128 | E | 98.5 | Very high | 98.5 | Very high | 105 Ų | 105 | 99.9 Ų | 99.9 | 49% | 0.491 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.4 | -44.2 | 174.9 | -75.5 | -178.5 | -168.1 | 0 | 0 | 112.1 | R124 K125 Y126 R131 K132 | R124-E128 WeakPolarHBondContact O-CG 3.49Å; R124-E128 PolarHBondContact O-N 3.41Å; K125-E128 PolarHBondContact O-N 3.3Å; Y126-E128 VanDerWaalsContact C-N 3.34Å; Y126-E128 PolarHBondContact O-N 3.03Å; E128-R131 PolarHBondContact O-N 3.1Å; E128-K132 WeakPolarHBondContact O-CG 3.48Å; E128-K132 PolarHBondContact O-N 3.46Å; E128-K132 VanDerWaalsContact O-N 3.1Å |
| 129 | V | 98.5 | Very high | 98.5 | Very high | 90 Ų | 90 | 97.9 Ų | 97.9 | 55% | 0.545 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.9 | -44.9 | 177.1 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | K125 Y126 R131 K132 L133 | K125-V129 WeakPolarHBondContact O-CG2 3.43Å; K125-V129 PolarHBondContact O-N 3.44Å; Y126-V129 PolarHBondContact O-N 3.36Å; V129-R131 VanDerWaalsContact C-N 3.33Å; V129-R131 PolarHBondContact O-N 2.91Å; V129-K132 PolarHBondContact O-N 3.48Å; V129-L133 WeakPolarHBondContact O-CB 3.44Å; V129-L133 PolarHBondContact O-N 3.04Å |
| 130 | A | 98.5 | Very high | 98.5 | Very high | 53 Ų | 53 | 99.9 Ų | 99.9 | 44% | 0.438 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.7 | -43.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y126 K132 L133 V134 | Y126-A130 WeakPolarHBondContact O-CB 3.33Å; Y126-A130 PolarHBondContact O-N 2.89Å; A130-K132 PolarHBondContact O-N 3.19Å; A130-L133 PolarHBondContact O-N 3.16Å; A130-V134 WeakPolarHBondContact O-CG2 3.45Å; A130-V134 PolarHBondContact O-N 3.22Å; A130-V134 VanDerWaalsContact O-N 3.16Å |
| 131 | R | 98.6 | Very high | 98.5 | Very high | 152 Ų | 152 | 101.4 Ų | 101.4 | 57% | 0.574 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.6 | -43 | 175.5 | -79.8 | -178.1 | -82.5 | -154.8 | -6.9 | 112.9 | E127 E128 V129 L133 I135 | E127-R131 WeakPolarHBondContact O-CB 3.35Å; E127-R131 WeakPolarHBondContact O-CG 3.39Å; E127-R131 PolarHBondContact O-N 3.29Å; E127-R131 PolarHBondContact O-NE 3.24Å; E127-R131 IonicContact OE2-NH2 2.65Å; E128-R131 PolarHBondContact O-N 3.1Å; V129-R131 VanDerWaalsContact C-N 3.33Å; V129-R131 PolarHBondContact O-N 2.91Å; R131-L133 VanDerWaalsContact C-N 3.33Å; R131-I135 PolarHBondContact O-N 3.06Å |
| 132 | K | 98.6 | Very high | 98.5 | Very high | 128 Ų | 128 | 103.4 Ų | 103.4 | 56% | 0.557 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.4 | -39.5 | 176.8 | -73.2 | 173.3 | -177.8 | 169.6 | 0 | 111.8 | E128 V129 A130 I135 I136 | E128-K132 WeakPolarHBondContact O-CG 3.48Å; E128-K132 PolarHBondContact O-N 3.46Å; E128-K132 VanDerWaalsContact O-N 3.1Å; V129-K132 PolarHBondContact O-N 3.48Å; A130-K132 PolarHBondContact O-N 3.19Å; K132-I135 PolarHBondContact O-N 3.43Å; K132-I136 WeakPolarHBondContact O-CG1 3.2Å; K132-I136 PolarHBondContact O-N 3.4Å |
| 133 | L | 98.3 | Very high | 98.5 | Very high | 86 Ų | 86 | 105.3 Ų | 105.3 | 45% | 0.45 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.6 | -45.3 | -179.4 | -172.8 | 144.1 | 0 | 0 | 0 | 111.2 | V129 A130 R131 I135 I136 E137 | V129-L133 WeakPolarHBondContact O-CB 3.44Å; V129-L133 PolarHBondContact O-N 3.04Å; A130-L133 PolarHBondContact O-N 3.16Å; R131-L133 VanDerWaalsContact C-N 3.33Å; L133-I135 VanDerWaalsContact C-N 3.29Å; L133-I135 PolarHBondContact O-N 3.26Å; L133-I136 PolarHBondContact O-N 2.92Å; L133-I136 VanDerWaalsContact O-N 3.13Å; L133-E137 HydrophobicContact CD2-CG 4.1Å; L133-E137 WeakPolarHBondContact CD2-OE1 3.38Å; L133-E137 WeakPolarHBondContact CD2-OE2 3.46Å; L133-E137 WeakPolarHBondContact O-CG 3.37Å; L133-E137 PolarHBondContact O-N 3.13Å |
| 134 | V | 98.6 | Very high | 98.5 | Very high | 95 Ų | 95 | 105.6 Ų | 105.6 | 58% | 0.576 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -58.5 | -39.4 | 175.6 | 173.3 | 0 | 0 | 0 | 0 | 112.6 | A130 G138 | A130-V134 WeakPolarHBondContact O-CG2 3.45Å; A130-V134 PolarHBondContact O-N 3.22Å; A130-V134 VanDerWaalsContact O-N 3.16Å; V134-G138 PolarHBondContact O-N 2.65Å; V134-G138 VanDerWaalsContact O-N 3.09Å |
| 135 | I | 98.5 | Very high | 98.5 | Very high | 107 Ų | 107 | 104.6 Ų | 104.6 | 55% | 0.549 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.5 | -45.9 | 177.5 | -64.6 | 169 | 0 | 0 | 0 | 110.3 | R131 K132 L133 G138 D139 | R131-I135 PolarHBondContact O-N 3.06Å; K132-I135 PolarHBondContact O-N 3.43Å; L133-I135 VanDerWaalsContact C-N 3.29Å; L133-I135 PolarHBondContact O-N 3.26Å; I135-G138 PolarHBondContact O-N 3.41Å; I135-D139 PolarHBondContact O-N 3.09Å |
| 136 | I | 98.5 | Very high | 98.5 | Very high | 112 Ų | 112 | 107.6 Ų | 107.6 | 57% | 0.574 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.1 | -40.9 | -179.4 | -67.4 | 168.8 | 0 | 0 | 0 | 111.1 | K132 L133 D139 L140 | K132-I136 WeakPolarHBondContact O-CG1 3.2Å; K132-I136 PolarHBondContact O-N 3.4Å; L133-I136 PolarHBondContact O-N 2.92Å; L133-I136 VanDerWaalsContact O-N 3.13Å; I136-D139 PolarHBondContact O-N 2.68Å; I136-L140 WeakPolarHBondContact O-CB 3.38Å; I136-L140 PolarHBondContact O-N 3.01Å |
| 137 | E | 98.3 | Very high | 98.5 | Very high | 102 Ų | 102 | 101.8 Ų | 101.8 | 48% | 0.477 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.1 | -46.6 | 174.2 | -73.6 | 176.2 | 154.6 | 0 | 0 | 111 | L133 D139 L140 E141 | L133-E137 HydrophobicContact CD2-CG 4.1Å; L133-E137 WeakPolarHBondContact CD2-OE1 3.38Å; L133-E137 WeakPolarHBondContact CD2-OE2 3.46Å; L133-E137 WeakPolarHBondContact O-CG 3.37Å; L133-E137 PolarHBondContact O-N 3.13Å; E137-D139 VanDerWaalsContact C-N 3.34Å; E137-D139 PolarHBondContact O-N 2.85Å; E137-L140 WeakPolarHBondContact O-CB 3.47Å; E137-L140 PolarHBondContact O-N 3.38Å; E137-E141 WeakPolarHBondContact O-CG 3.41Å; E137-E141 PolarHBondContact O-N 3.29Å |
| 138 | G | 98.5 | Very high | 98.4 | Very high | 14 Ų | 14 | 102.9 Ų | 102.9 | 14% | 0.144 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -66.4 | -31.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114 | V134 I135 R142 | V134-G138 PolarHBondContact O-N 2.65Å; V134-G138 VanDerWaalsContact O-N 3.09Å; I135-G138 PolarHBondContact O-N 3.41Å; G138-R142 WeakPolarHBondContact O-CG 3.48Å; G138-R142 PolarHBondContact O-N 3.3Å |
| 139 | D | 98.5 | Very high | 98.4 | Very high | 75 Ų | 75 | 102.5 Ų | 102.5 | 40% | 0.401 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70.8 | -39.6 | 172.9 | -73.2 | -13.1 | 0 | 0 | 0 | 111.3 | I135 I136 E137 R142 T143 | I135-D139 PolarHBondContact O-N 3.09Å; I136-D139 PolarHBondContact O-N 2.68Å; E137-D139 VanDerWaalsContact C-N 3.34Å; E137-D139 PolarHBondContact O-N 2.85Å; D139-R142 PolarHBondContact O-N 3.22Å; D139-R142 IonicContact OD1-CZ 3.94Å; D139-R142 IonicContact OD1-NH1 2.86Å; D139-R142 PolarHBondContact OD1-NH1 3.4Å; D139-T143 WeakPolarHBondContact O-CG2 3.44Å; D139-T143 PolarHBondContact O-N 2.97Å; D139-T143 PolarHBondContact O-OG1 2.86Å |
| 140 | L | 98.4 | Very high | 98.4 | Very high | 90 Ų | 90 | 100.7 Ų | 100.7 | 47% | 0.471 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.1 | -51.6 | 175.8 | 179.3 | 63.8 | 0 | 0 | 0 | 110.7 | I136 E137 R142 T143 E144 | I136-L140 WeakPolarHBondContact O-CB 3.38Å; I136-L140 PolarHBondContact O-N 3.01Å; E137-L140 WeakPolarHBondContact O-CB 3.47Å; E137-L140 PolarHBondContact O-N 3.38Å; L140-R142 VanDerWaalsContact C-N 3.31Å; L140-R142 PolarHBondContact O-N 3.22Å; L140-T143 WeakPolarHBondContact CA-OG1 3.44Å; L140-T143 WeakPolarHBondContact O-CA 3.47Å; L140-T143 PolarHBondContact O-N 3.43Å; L140-T143 PolarHBondContact O-OG1 3.27Å; L140-E144 HydrophobicContact CD1-CG 4.27Å; L140-E144 HydrophobicContact CG-CG 4.42Å; L140-E144 WeakPolarHBondContact O-CG 3.37Å; L140-E144 PolarHBondContact O-N 3.29Å |
| 141 | E | 98.6 | Very high | 98.4 | Very high | 122 Ų | 122 | 103.1 Ų | 103.1 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -53.2 | -47.2 | 177.4 | -73.7 | 176.8 | 173.9 | 0 | 0 | 111.6 | E137 T143 E144 E145 | E137-E141 WeakPolarHBondContact O-CG 3.41Å; E137-E141 PolarHBondContact O-N 3.29Å; E141-T143 VanDerWaalsContact C-N 3.3Å; E141-T143 PolarHBondContact O-N 2.99Å; E141-E144 PolarHBondContact O-N 2.96Å; E141-E145 WeakPolarHBondContact O-CG 3.36Å; E141-E145 PolarHBondContact O-N 3.36Å |
| 142 | R | 98.6 | Very high | 98.4 | Very high | 146 Ų | 146 | 98.2 Ų | 98.2 | 55% | 0.551 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.1 | -34.4 | 177.3 | -68.4 | -177.8 | -144.5 | 115.6 | 9.1 | 112.9 | G138 D139 L140 R146 | G138-R142 WeakPolarHBondContact O-CG 3.48Å; G138-R142 PolarHBondContact O-N 3.3Å; D139-R142 PolarHBondContact O-N 3.22Å; D139-R142 IonicContact OD1-CZ 3.94Å; D139-R142 IonicContact OD1-NH1 2.86Å; D139-R142 PolarHBondContact OD1-NH1 3.4Å; L140-R142 VanDerWaalsContact C-N 3.31Å; L140-R142 PolarHBondContact O-N 3.22Å; R142-R146 VanDerWaalsContact O-CG 3.25Å; R142-R146 WeakPolarHBondContact O-CG 3.47Å; R142-R146 PolarHBondContact O-N 2.88Å |
| 143 | T | 98.2 | Very high | 98.4 | Very high | 77 Ų | 77 | 99.1 Ų | 99.1 | 47% | 0.472 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71.6 | -36.5 | 176.1 | 57 | 0 | 0 | 0 | 0 | 112.2 | D139 L140 E141 R146 A147 | D139-T143 WeakPolarHBondContact O-CG2 3.44Å; D139-T143 PolarHBondContact O-N 2.97Å; D139-T143 PolarHBondContact O-OG1 2.86Å; L140-T143 WeakPolarHBondContact CA-OG1 3.44Å; L140-T143 WeakPolarHBondContact O-CA 3.47Å; L140-T143 PolarHBondContact O-N 3.43Å; L140-T143 PolarHBondContact O-OG1 3.27Å; E141-T143 VanDerWaalsContact C-N 3.3Å; E141-T143 PolarHBondContact O-N 2.99Å; T143-R146 PolarHBondContact O-N 3.35Å; T143-A147 WeakPolarHBondContact O-CB 3.44Å; T143-A147 PolarHBondContact O-N 2.96Å |
| 144 | E | 98.4 | Very high | 98.3 | Very high | 102 Ų | 102 | 98.5 Ų | 98.5 | 48% | 0.477 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.8 | -50.3 | 175.7 | -71.3 | 177.6 | 162.8 | 0 | 0 | 110.7 | L140 E141 R146 A147 E148 | L140-E144 HydrophobicContact CD1-CG 4.27Å; L140-E144 HydrophobicContact CG-CG 4.42Å; L140-E144 WeakPolarHBondContact O-CG 3.37Å; L140-E144 PolarHBondContact O-N 3.29Å; E141-E144 PolarHBondContact O-N 2.96Å; E144-R146 PolarHBondContact O-N 3.47Å; E144-A147 WeakPolarHBondContact O-CB 3.25Å; E144-A147 PolarHBondContact O-N 3.13Å; E144-E148 WeakPolarHBondContact O-CG 3.48Å; E144-E148 PolarHBondContact O-N 3.01Å |
| 145 | E | 98.4 | Very high | 98.3 | Very high | 130 Ų | 130 | 101.5 Ų | 101.5 | 61% | 0.607 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -55.2 | -40.5 | 175.8 | -71.8 | 179.4 | 169.1 | 0 | 0 | 112.4 | E141 L149 | E141-E145 WeakPolarHBondContact O-CG 3.36Å; E141-E145 PolarHBondContact O-N 3.36Å; E145-L149 PolarHBondContact O-N 3.07Å; E145-L149 VanDerWaalsContact O-N 3.09Å |
| 146 | R | 98.4 | Very high | 98.3 | Very high | 190 Ų | 190 | 101.4 Ų | 101.4 | 72% | 0.717 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67.3 | -39.8 | 176.8 | -76.2 | 174.3 | 65.4 | -171.2 | -0.4 | 112.3 | R142 T143 E144 A150 | R142-R146 VanDerWaalsContact O-CG 3.25Å; R142-R146 WeakPolarHBondContact O-CG 3.47Å; R142-R146 PolarHBondContact O-N 2.88Å; T143-R146 PolarHBondContact O-N 3.35Å; E144-R146 PolarHBondContact O-N 3.47Å; R146-A150 WeakPolarHBondContact O-CB 3.46Å; R146-A150 PolarHBondContact O-N 3.27Å; R146-A150 VanDerWaalsContact O-N 3.07Å |
| 147 | A | 98.2 | Very high | 98.2 | Very high | 49 Ų | 49 | 101.7 Ų | 101.7 | 41% | 0.405 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66 | -45.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | T143 E144 L149 A150 E151 | T143-A147 WeakPolarHBondContact O-CB 3.44Å; T143-A147 PolarHBondContact O-N 2.96Å; E144-A147 WeakPolarHBondContact O-CB 3.25Å; E144-A147 PolarHBondContact O-N 3.13Å; A147-L149 VanDerWaalsContact C-N 3.35Å; A147-L149 PolarHBondContact O-N 3.09Å; A147-A150 WeakPolarHBondContact O-CB 3.48Å; A147-A150 PolarHBondContact O-N 3.49Å; A147-A150 VanDerWaalsContact O-N 3.13Å; A147-E151 WeakPolarHBondContact O-CG 3.42Å; A147-E151 PolarHBondContact O-N 2.89Å |
| 148 | E | 98.3 | Very high | 98.2 | Very high | 136 Ų | 136 | 101.7 Ų | 101.7 | 64% | 0.636 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.3 | -44.9 | 176.5 | -71.1 | -175.7 | 169.8 | 0 | 0 | 112.2 | E144 A150 E151 S152 | E144-E148 WeakPolarHBondContact O-CG 3.48Å; E144-E148 PolarHBondContact O-N 3.01Å; E148-A150 VanDerWaalsContact C-N 3.34Å; E148-A150 PolarHBondContact O-N 3.32Å; E148-E151 PolarHBondContact O-N 2.86Å; E148-S152 PolarHBondContact O-N 3.21Å |
| 149 | L | 98.3 | Very high | 98.2 | Very high | 97 Ų | 97 | 107.3 Ų | 107.3 | 51% | 0.508 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 175.9 | -179.7 | 64.2 | 0 | 0 | 0 | 112 | E145 A147 S152 R153 | E145-L149 PolarHBondContact O-N 3.07Å; E145-L149 VanDerWaalsContact O-N 3.09Å; A147-L149 VanDerWaalsContact C-N 3.35Å; A147-L149 PolarHBondContact O-N 3.09Å; L149-S152 PolarHBondContact O-N 3.38Å; L149-R153 WeakPolarHBondContact O-CG 3.37Å; L149-R153 PolarHBondContact O-N 2.97Å; L149-R153 VanDerWaalsContact O-N 3.13Å |
| 150 | A | 97.9 | Very high | 98.1 | Very high | 51 Ų | 51 | 109.2 Ų | 109.2 | 42% | 0.421 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | R146 A147 E148 S152 R153 C154 | R146-A150 WeakPolarHBondContact O-CB 3.46Å; R146-A150 PolarHBondContact O-N 3.27Å; R146-A150 VanDerWaalsContact O-N 3.07Å; A147-A150 WeakPolarHBondContact O-CB 3.48Å; A147-A150 PolarHBondContact O-N 3.49Å; A147-A150 VanDerWaalsContact O-N 3.13Å; E148-A150 VanDerWaalsContact C-N 3.34Å; E148-A150 PolarHBondContact O-N 3.32Å; A150-S152 PolarHBondContact O-N 2.86Å; A150-R153 PolarHBondContact O-N 3.4Å; A150-C154 PolarHBondContact O-N 2.95Å; A150-C154 PolarHBondContact O-SG 3.24Å; A150-C154 VanDerWaalsContact O-SG 3.38Å |
| 151 | E | 98.3 | Very high | 98.1 | Very high | 104 Ų | 104 | 109.4 Ų | 109.4 | 49% | 0.486 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 175.1 | -75 | -170.2 | -172.1 | 0 | 0 | 112.4 | A147 E148 R153 C154 R155 | A147-E151 WeakPolarHBondContact O-CG 3.42Å; A147-E151 PolarHBondContact O-N 2.89Å; E148-E151 PolarHBondContact O-N 2.86Å; E151-R153 VanDerWaalsContact C-N 3.32Å; E151-R153 PolarHBondContact O-N 3.4Å; E151-C154 PolarHBondContact O-N 3.13Å; E151-R155 WeakPolarHBondContact O-CG 3.46Å; E151-R155 PolarHBondContact O-N 2.97Å; E151-R155 IonicContact OE2-CZ 2.76Å; E151-R155 IonicContact OE2-NH2 2.68Å; E151-R155 PolarHBondContact OE2-NH2 3.36Å |
| 152 | S | 98.3 | Very high | 98.1 | Very high | 50 Ų | 50 | 112.4 Ų | 112.4 | 35% | 0.35 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.5 | -45.1 | 175.5 | -168.3 | 0 | 0 | 0 | 0 | 111.4 | E148 L149 A150 C154 R155 E156 | E148-S152 PolarHBondContact O-N 3.21Å; L149-S152 PolarHBondContact O-N 3.38Å; A150-S152 PolarHBondContact O-N 2.86Å; S152-C154 PolarHBondContact O-N 3.23Å; S152-R155 PolarHBondContact O-N 2.88Å; S152-E156 WeakPolarHBondContact O-CG 3.37Å; S152-E156 PolarHBondContact O-N 2.97Å |
| 153 | R | 98.2 | Very high | 98 | Very high | 146 Ų | 146 | 109.7 Ų | 109.7 | 55% | 0.551 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.4 | -41.3 | 177.3 | -70.1 | 177.2 | -178.4 | -164.1 | 0.9 | 112.4 | L149 A150 E151 R155 E156 M157 | L149-R153 WeakPolarHBondContact O-CG 3.37Å; L149-R153 PolarHBondContact O-N 2.97Å; L149-R153 VanDerWaalsContact O-N 3.13Å; A150-R153 PolarHBondContact O-N 3.4Å; E151-R153 VanDerWaalsContact C-N 3.32Å; E151-R153 PolarHBondContact O-N 3.4Å; R153-R155 VanDerWaalsContact C-N 3.34Å; R153-E156 PolarHBondContact O-N 3.25Å; R153-M157 WeakPolarHBondContact O-CG 3.43Å; R153-M157 PolarHBondContact O-N 3.27Å |
| 154 | C | 97.7 | Very high | 98 | Very high | 74 Ų | 74 | 112 Ų | 112 | 50% | 0.5 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.6 | -45.1 | 175 | -70.7 | 0 | 0 | 0 | 0 | 111 | A150 E151 S152 E156 M157 D158 | A150-C154 PolarHBondContact O-N 2.95Å; A150-C154 PolarHBondContact O-SG 3.24Å; A150-C154 VanDerWaalsContact O-SG 3.38Å; E151-C154 PolarHBondContact O-N 3.13Å; S152-C154 PolarHBondContact O-N 3.23Å; C154-E156 PolarHBondContact O-N 3.4Å; C154-M157 PolarHBondContact O-N 3.43Å; C154-D158 WeakPolarHBondContact O-CB 3.48Å; C154-D158 PolarHBondContact O-N 2.9Å |
| 155 | R | 98.1 | Very high | 98 | Very high | 157 Ų | 157 | 111.1 Ų | 111.1 | 59% | 0.592 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.5 | -43.1 | 177.1 | -68.1 | 173.1 | -161.4 | 161.9 | 8 | 112 | E151 S152 R153 D158 E159 | E151-R155 WeakPolarHBondContact O-CG 3.46Å; E151-R155 PolarHBondContact O-N 2.97Å; E151-R155 IonicContact OE2-CZ 2.76Å; E151-R155 IonicContact OE2-NH2 2.68Å; E151-R155 PolarHBondContact OE2-NH2 3.36Å; S152-R155 PolarHBondContact O-N 2.88Å; R153-R155 VanDerWaalsContact C-N 3.34Å; R155-D158 PolarHBondContact O-N 3.01Å; R155-E159 PolarHBondContact O-N 3.44Å |
| 156 | E | 97.9 | Very high | 97.9 | Very high | 106 Ų | 106 | 110.3 Ų | 110.3 | 50% | 0.495 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62 | -43.9 | 175.7 | -73.4 | 168.7 | -154.1 | 0 | 0 | 112.2 | S152 R153 C154 E159 Q160 | S152-E156 WeakPolarHBondContact O-CG 3.37Å; S152-E156 PolarHBondContact O-N 2.97Å; R153-E156 PolarHBondContact O-N 3.25Å; C154-E156 PolarHBondContact O-N 3.4Å; E156-E159 PolarHBondContact O-N 2.96Å; E156-Q160 WeakPolarHBondContact O-CG 3.39Å; E156-Q160 PolarHBondContact O-N 3.48Å |
| 157 | M | 97 | Very high | 97.9 | Very high | 117 Ų | 117 | 106.1 Ų | 106.1 | 58% | 0.576 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.4 | -41.8 | 177.1 | -72.2 | -177.3 | -179.2 | 0 | 0 | 112 | R153 C154 E159 Q160 I161 | R153-M157 WeakPolarHBondContact O-CG 3.43Å; R153-M157 PolarHBondContact O-N 3.27Å; C154-M157 PolarHBondContact O-N 3.43Å; M157-E159 VanDerWaalsContact C-N 3.28Å; M157-E159 PolarHBondContact O-N 3.03Å; M157-Q160 PolarHBondContact O-N 3.42Å; M157-I161 WeakPolarHBondContact O-CG1 3.36Å; M157-I161 PolarHBondContact O-N 3.04Å |
| 158 | D | 97.8 | Very high | 97.8 | Very high | 103 Ų | 103 | 108.5 Ų | 108.5 | 55% | 0.551 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.8 | -38.6 | 176.1 | -75.6 | -24.4 | 0 | 0 | 0 | 111.6 | C154 R155 R162 | C154-D158 WeakPolarHBondContact O-CB 3.48Å; C154-D158 PolarHBondContact O-N 2.9Å; R155-D158 PolarHBondContact O-N 3.01Å; D158-R162 PolarHBondContact O-N 3.37Å |
| 159 | E | 98 | Very high | 97.8 | Very high | 131 Ų | 131 | 109.1 Ų | 109.1 | 61% | 0.612 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.8 | -41.2 | 175.6 | -171.6 | 157.5 | -163.7 | 0 | 0 | 112.1 | R155 E156 M157 I161 R162 L163 | R155-E159 PolarHBondContact O-N 3.44Å; E156-E159 PolarHBondContact O-N 2.96Å; M157-E159 VanDerWaalsContact C-N 3.28Å; M157-E159 PolarHBondContact O-N 3.03Å; E159-I161 PolarHBondContact O-N 2.85Å; E159-R162 WeakPolarHBondContact O-CB 3.33Å; E159-R162 PolarHBondContact O-N 3.22Å; E159-L163 WeakPolarHBondContact O-CG 3.45Å; E159-L163 PolarHBondContact O-N 3.36Å |
| 160 | Q | 97.8 | Very high | 97.7 | Very high | 116 Ų | 116 | 108.8 Ų | 108.8 | 54% | 0.542 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 173.5 | -72.6 | 178.6 | 21.1 | 0 | 0 | 112.3 | E156 M157 R162 L163 M164 | E156-Q160 WeakPolarHBondContact O-CG 3.39Å; E156-Q160 PolarHBondContact O-N 3.48Å; M157-Q160 PolarHBondContact O-N 3.42Å; Q160-R162 VanDerWaalsContact C-N 3.33Å; Q160-R162 PolarHBondContact O-N 2.88Å; Q160-L163 PolarHBondContact O-N 3.23Å; Q160-M164 WeakPolarHBondContact O-CG 3.44Å; Q160-M164 PolarHBondContact O-N 3.25Å |
| 161 | I | 97.8 | Very high | 97.7 | Very high | 93 Ų | 93 | 111.9 Ų | 111.9 | 48% | 0.477 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.5 | -45.9 | 175.5 | -71.8 | 161.9 | 0 | 0 | 0 | 109.9 | M157 E159 L163 M164 D165 | M157-I161 WeakPolarHBondContact O-CG1 3.36Å; M157-I161 PolarHBondContact O-N 3.04Å; E159-I161 PolarHBondContact O-N 2.85Å; I161-L163 VanDerWaalsContact C-N 3.32Å; I161-L163 PolarHBondContact O-N 2.99Å; I161-M164 PolarHBondContact O-N 3.49Å; I161-D165 WeakPolarHBondContact O-CB 3.48Å; I161-D165 PolarHBondContact O-N 3.05Å |
| 162 | R | 98.2 | Very high | 97.6 | Very high | 185 Ų | 185 | 109.5 Ų | 109.5 | 70% | 0.698 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -57.4 | -43.3 | 175.9 | -97.4 | -173.6 | 172.7 | 150.5 | 1.2 | 113 | D158 E159 Q160 Q166 | D158-R162 PolarHBondContact O-N 3.37Å; E159-R162 WeakPolarHBondContact O-CB 3.33Å; E159-R162 PolarHBondContact O-N 3.22Å; Q160-R162 VanDerWaalsContact C-N 3.33Å; Q160-R162 PolarHBondContact O-N 2.88Å; R162-Q166 WeakPolarHBondContact O-CG 3.43Å; R162-Q166 PolarHBondContact O-N 3.19Å; R162-Q166 VanDerWaalsContact O-N 3.08Å |
| 163 | L | 97.8 | Very high | 97.5 | Very high | 90 Ų | 90 | 109.1 Ų | 109.1 | 47% | 0.471 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.8 | -41.2 | 178.1 | -69.8 | 172.7 | 0 | 0 | 0 | 111.6 | E159 Q160 I161 Q166 N167 | E159-L163 WeakPolarHBondContact O-CG 3.45Å; E159-L163 PolarHBondContact O-N 3.36Å; Q160-L163 PolarHBondContact O-N 3.23Å; I161-L163 VanDerWaalsContact C-N 3.32Å; I161-L163 PolarHBondContact O-N 2.99Å; L163-Q166 PolarHBondContact O-N 3.47Å; L163-N167 PolarHBondContact O-N 3.36Å; L163-N167 PolarHBondContact O-ND2 3.5Å |
| 164 | M | 97.1 | Very high | 97.5 | Very high | 126 Ų | 126 | 104.7 Ų | 104.7 | 62% | 0.621 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62 | -43.8 | 174.5 | -76.3 | -167.9 | 160.5 | 0 | 0 | 111.8 | Q160 I161 Q166 N167 L168 | Q160-M164 WeakPolarHBondContact O-CG 3.44Å; Q160-M164 PolarHBondContact O-N 3.25Å; I161-M164 PolarHBondContact O-N 3.49Å; M164-Q166 VanDerWaalsContact C-N 3.31Å; M164-Q166 PolarHBondContact O-N 3.08Å; M164-N167 PolarHBondContact O-N 2.84Å; M164-L168 WeakPolarHBondContact O-CB 3.27Å; M164-L168 WeakPolarHBondContact O-CG 3.36Å; M164-L168 PolarHBondContact O-N 3.41Å |
| 165 | D | 98 | Very high | 97.4 | Very high | 82 Ų | 82 | 107.6 Ų | 107.6 | 44% | 0.439 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.8 | -40.6 | 175.4 | -83.7 | -9.8 | 0 | 0 | 0 | 112.1 | I161 K169 | I161-D165 WeakPolarHBondContact O-CB 3.48Å; I161-D165 PolarHBondContact O-N 3.05Å; D165-K169 VanDerWaalsContact O-CG 3.27Å; D165-K169 WeakPolarHBondContact O-CG 3.49Å; D165-K169 PolarHBondContact O-N 3.12Å |
| 166 | Q | 97.4 | Very high | 97.4 | Very high | 113 Ų | 113 | 106.1 Ų | 106.1 | 53% | 0.528 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.2 | -44.4 | 174.9 | -73.1 | 176.2 | 6.4 | 0 | 0 | 111.7 | R162 L163 M164 K169 C170 | R162-Q166 WeakPolarHBondContact O-CG 3.43Å; R162-Q166 PolarHBondContact O-N 3.19Å; R162-Q166 VanDerWaalsContact O-N 3.08Å; L163-Q166 PolarHBondContact O-N 3.47Å; M164-Q166 VanDerWaalsContact C-N 3.31Å; M164-Q166 PolarHBondContact O-N 3.08Å; Q166-K169 PolarHBondContact O-N 3.3Å; Q166-C170 PolarHBondContact O-N 3.49Å; Q166-C170 PolarHBondContact O-SG 3.09Å; Q166-C170 VanDerWaalsContact O-SG 3.4Å |
| 167 | N | 97.4 | Very high | 97.3 | Very high | 102 Ų | 102 | 108.3 Ų | 108.3 | 55% | 0.545 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 177.6 | -73.7 | -24 | 0 | 0 | 0 | 111.9 | L163 M164 K169 C170 L171 | L163-N167 PolarHBondContact O-N 3.36Å; L163-N167 PolarHBondContact O-ND2 3.5Å; M164-N167 PolarHBondContact O-N 2.84Å; N167-K169 PolarHBondContact O-N 2.82Å; N167-C170 PolarHBondContact O-N 2.89Å; N167-L171 WeakPolarHBondContact O-CB 3.38Å; N167-L171 WeakPolarHBondContact O-CG 3.43Å; N167-L171 PolarHBondContact O-N 3.24Å |
| 168 | L | 97.3 | Very high | 97.2 | Very high | 100 Ų | 100 | 105.6 Ų | 105.6 | 52% | 0.524 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58.9 | -47.1 | 175.3 | -76 | 171.7 | 0 | 0 | 0 | 110.9 | M164 C170 L171 S172 | M164-L168 WeakPolarHBondContact O-CB 3.27Å; M164-L168 WeakPolarHBondContact O-CG 3.36Å; M164-L168 PolarHBondContact O-N 3.41Å; L168-C170 VanDerWaalsContact C-N 3.32Å; L168-C170 PolarHBondContact O-N 3.19Å; L168-L171 PolarHBondContact O-N 2.93Å; L168-S172 PolarHBondContact O-N 3.4Å; L168-S172 PolarHBondContact O-OG 2.82Å; L168-S172 VanDerWaalsContact O-OG 3.12Å |
| 169 | K | 97.6 | Very high | 97.2 | Very high | 149 Ų | 149 | 106.3 Ų | 106.3 | 65% | 0.648 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -57.4 | -43.5 | 175.5 | -74.6 | 171.2 | -176 | 174.9 | 0 | 112.5 | D165 Q166 N167 A173 | D165-K169 VanDerWaalsContact O-CG 3.27Å; D165-K169 WeakPolarHBondContact O-CG 3.49Å; D165-K169 PolarHBondContact O-N 3.12Å; Q166-K169 PolarHBondContact O-N 3.3Å; N167-K169 PolarHBondContact O-N 2.82Å; K169-A173 WeakPolarHBondContact O-CB 3.46Å; K169-A173 PolarHBondContact O-N 3.05Å; K169-A173 VanDerWaalsContact O-N 3.09Å |
| 170 | C | 97 | Very high | 97.1 | Very high | 89 Ų | 89 | 104 Ų | 104 | 60% | 0.601 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.6 | -42.6 | 176.8 | -72.4 | 0 | 0 | 0 | 0 | 112.3 | Q166 N167 L168 A173 A174 | Q166-C170 PolarHBondContact O-N 3.49Å; Q166-C170 PolarHBondContact O-SG 3.09Å; Q166-C170 VanDerWaalsContact O-SG 3.4Å; N167-C170 PolarHBondContact O-N 2.89Å; L168-C170 VanDerWaalsContact C-N 3.32Å; L168-C170 PolarHBondContact O-N 3.19Å; C170-A173 PolarHBondContact O-N 3.42Å; C170-A174 PolarHBondContact O-N 3.01Å |
| 171 | L | 96.8 | Very high | 97 | Very high | 116 Ų | 116 | 108.2 Ų | 108.2 | 61% | 0.607 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.3 | -45.2 | 178.3 | -74.2 | 172.1 | 0 | 0 | 0 | 111.7 | N167 L168 A173 A174 E175 | N167-L171 WeakPolarHBondContact O-CB 3.38Å; N167-L171 WeakPolarHBondContact O-CG 3.43Å; N167-L171 PolarHBondContact O-N 3.24Å; L168-L171 PolarHBondContact O-N 2.93Å; L171-A173 VanDerWaalsContact C-N 3.33Å; L171-A173 PolarHBondContact O-N 3.23Å; L171-A174 CarbonylContact O-C 3.59Å; L171-A174 WeakPolarHBondContact O-CA 3.48Å; L171-A174 WeakPolarHBondContact O-CB 3.45Å; L171-A174 PolarHBondContact O-N 3.34Å; L171-E175 WeakPolarHBondContact O-CB 3.43Å; L171-E175 PolarHBondContact O-N 2.96Å |
| 172 | S | 96.6 | Very high | 96.8 | Very high | 55 Ų | 55 | 106 Ų | 106 | 39% | 0.385 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.6 | -43.3 | 175.6 | -61.2 | 0 | 0 | 0 | 0 | 111.6 | L168 A174 E175 E176 | L168-S172 PolarHBondContact O-N 3.4Å; L168-S172 PolarHBondContact O-OG 2.82Å; L168-S172 VanDerWaalsContact O-OG 3.12Å; S172-A174 VanDerWaalsContact C-N 3.26Å; S172-A174 PolarHBondContact O-N 3.03Å; S172-E175 WeakPolarHBondContact O-CB 3.48Å; S172-E175 PolarHBondContact O-N 3.35Å; S172-E176 WeakPolarHBondContact O-CG 3.44Å; S172-E176 PolarHBondContact O-N 3.4Å |
| 173 | A | 97.1 | Very high | 96.7 | Very high | 41 Ų | 41 | 101.4 Ų | 101.4 | 34% | 0.339 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.5 | -29 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | K169 C170 L171 K177 | K169-A173 WeakPolarHBondContact O-CB 3.46Å; K169-A173 PolarHBondContact O-N 3.05Å; K169-A173 VanDerWaalsContact O-N 3.09Å; C170-A173 PolarHBondContact O-N 3.42Å; L171-A173 VanDerWaalsContact C-N 3.33Å; L171-A173 PolarHBondContact O-N 3.23Å; A173-K177 VanDerWaalsContact O-CG 3.31Å; A173-K177 WeakPolarHBondContact O-CG 3.47Å; A173-K177 PolarHBondContact O-N 3.23Å |
| 174 | A | 96.6 | Very high | 96.6 | Very high | 54 Ų | 54 | 104 Ų | 104 | 45% | 0.446 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -75.9 | -37.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | C170 L171 S172 K177 A178 | C170-A174 PolarHBondContact O-N 3.01Å; L171-A174 CarbonylContact O-C 3.59Å; L171-A174 WeakPolarHBondContact O-CA 3.48Å; L171-A174 WeakPolarHBondContact O-CB 3.45Å; L171-A174 PolarHBondContact O-N 3.34Å; S172-A174 VanDerWaalsContact C-N 3.26Å; S172-A174 PolarHBondContact O-N 3.03Å; A174-K177 PolarHBondContact O-N 2.88Å; A174-A178 PolarHBondContact O-N 2.98Å |
| 175 | E | 96.9 | Very high | 96.4 | Very high | 135 Ų | 135 | 100.4 Ų | 100.4 | 63% | 0.631 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.4 | -50.3 | 174.6 | -176 | -179.9 | -163.7 | 0 | 0 | 111.1 | L171 S172 K177 A178 E179 | L171-E175 WeakPolarHBondContact O-CB 3.43Å; L171-E175 PolarHBondContact O-N 2.96Å; S172-E175 WeakPolarHBondContact O-CB 3.48Å; S172-E175 PolarHBondContact O-N 3.35Å; E175-K177 VanDerWaalsContact C-N 3.25Å; E175-K177 PolarHBondContact O-N 2.85Å; E175-A178 WeakPolarHBondContact O-CA 3.45Å; E175-A178 WeakPolarHBondContact O-CB 3.37Å; E175-A178 PolarHBondContact O-N 3.23Å; E175-E179 PolarHBondContact O-N 3.37Å |
| 176 | E | 96.8 | Very high | 96.3 | Very high | 125 Ų | 125 | 103 Ų | 103 | 58% | 0.584 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -55.9 | -39.9 | 175.9 | -73.7 | 179.5 | 175.5 | 0 | 0 | 112 | S172 T180 | S172-E176 WeakPolarHBondContact O-CG 3.44Å; S172-E176 PolarHBondContact O-N 3.4Å; E176-T180 WeakPolarHBondContact O-CG2 3.33Å; E176-T180 PolarHBondContact O-N 3.09Å; E176-T180 PolarHBondContact O-OG1 2.98Å |
| 177 | K | 96.5 | Very high | 96.1 | Very high | 153 Ų | 153 | 105.5 Ų | 105.5 | 67% | 0.665 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -68.1 | -36.2 | 175.6 | -73.3 | 174.1 | -173.5 | 175.1 | 0 | 112.7 | A173 A174 E175 T180 R181 | A173-K177 VanDerWaalsContact O-CG 3.31Å; A173-K177 WeakPolarHBondContact O-CG 3.47Å; A173-K177 PolarHBondContact O-N 3.23Å; A174-K177 PolarHBondContact O-N 2.88Å; E175-K177 VanDerWaalsContact C-N 3.25Å; E175-K177 PolarHBondContact O-N 2.85Å; K177-T180 WeakPolarHBondContact CA-OG1 3.47Å; K177-T180 PolarHBondContact O-OG1 2.96Å; K177-R181 WeakPolarHBondContact O-CB 3.45Å; K177-R181 PolarHBondContact O-N 3.47Å |
| 178 | A | 95.8 | Very high | 95.9 | Very high | 60 Ų | 60 | 102.4 Ų | 102.4 | 50% | 0.496 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -70.4 | -41.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | A174 E175 R181 A182 | A174-A178 PolarHBondContact O-N 2.98Å; E175-A178 WeakPolarHBondContact O-CA 3.45Å; E175-A178 WeakPolarHBondContact O-CB 3.37Å; E175-A178 PolarHBondContact O-N 3.23Å; A178-R181 WeakPolarHBondContact O-CB 3.49Å; A178-R181 PolarHBondContact O-N 2.95Å; A178-A182 WeakPolarHBondContact O-CB 3.38Å; A178-A182 PolarHBondContact O-N 2.86Å |
| 179 | E | 96.4 | Very high | 95.8 | Very high | 117 Ų | 117 | 101.2 Ų | 101.2 | 55% | 0.547 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.3 | -51.2 | 176.7 | -172.2 | 175.5 | -159.7 | 0 | 0 | 111.2 | E175 R181 A182 E183 | E175-E179 PolarHBondContact O-N 3.37Å; E179-R181 PolarHBondContact O-N 3.47Å; E179-A182 WeakPolarHBondContact O-CA 3.31Å; E179-A182 WeakPolarHBondContact O-CB 3.46Å; E179-A182 PolarHBondContact O-N 2.93Å; E179-E183 PolarHBondContact O-N 3.05Å |
| 180 | T | 95.8 | Very high | 95.6 | Very high | 84 Ų | 84 | 96.5 Ų | 96.5 | 52% | 0.515 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.9 | -36.4 | 175.3 | 49.5 | 0 | 0 | 0 | 0 | 112.9 | E176 K177 F184 | E176-T180 WeakPolarHBondContact O-CG2 3.33Å; E176-T180 PolarHBondContact O-N 3.09Å; E176-T180 PolarHBondContact O-OG1 2.98Å; K177-T180 WeakPolarHBondContact CA-OG1 3.47Å; K177-T180 PolarHBondContact O-OG1 2.96Å; T180-F184 PolarHBondContact O-N 3.24Å; T180-F184 VanDerWaalsContact O-N 3.15Å |
| 181 | R | 95.6 | Very high | 95.5 | Very high | 204 Ų | 204 | 99.3 Ų | 99.3 | 77% | 0.77 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.9 | -39.8 | 173.6 | -175.9 | 178.8 | 177.2 | -178.1 | -1.2 | 111.9 | K177 A178 E179 F184 A185 | K177-R181 WeakPolarHBondContact O-CB 3.45Å; K177-R181 PolarHBondContact O-N 3.47Å; A178-R181 WeakPolarHBondContact O-CB 3.49Å; A178-R181 PolarHBondContact O-N 2.95Å; E179-R181 PolarHBondContact O-N 3.47Å; R181-F184 PolarHBondContact O-N 3.32Å; R181-A185 PolarHBondContact O-N 3.06Å |
| 182 | A | 94.6 | Very high | 95.3 | Very high | 46 Ų | 46 | 99 Ų | 99 | 38% | 0.38 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.9 | -48 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | A178 E179 F184 A185 E186 | A178-A182 WeakPolarHBondContact O-CB 3.38Å; A178-A182 PolarHBondContact O-N 2.86Å; E179-A182 WeakPolarHBondContact O-CA 3.31Å; E179-A182 WeakPolarHBondContact O-CB 3.46Å; E179-A182 PolarHBondContact O-N 2.93Å; A182-F184 VanDerWaalsContact C-N 3.28Å; A182-F184 PolarHBondContact O-N 3.49Å; A182-A185 WeakPolarHBondContact O-CB 3.28Å; A182-A185 PolarHBondContact O-N 3.01Å; A182-E186 WeakPolarHBondContact O-CG 3.39Å; A182-E186 PolarHBondContact O-N 3.28Å |
| 183 | E | 95.6 | Very high | 95.2 | Very high | 89 Ų | 89 | 101.6 Ų | 101.6 | 42% | 0.416 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -56.2 | -41.5 | 175.2 | -69.7 | -173.9 | 172.1 | 0 | 0 | 112.3 | E179 E186 R187 | E179-E183 PolarHBondContact O-N 3.05Å; E183-E186 PolarHBondContact O-N 3.15Å; E183-R187 WeakPolarHBondContact O-CB 3.31Å; E183-R187 VanDerWaalsContact O-CG 3.31Å; E183-R187 WeakPolarHBondContact O-CG 3.48Å; E183-R187 PolarHBondContact O-N 3.19Å |
| 184 | F | 95.1 | Very high | 95 | Very high | 145 Ų | 145 | 106 Ų | 106 | 64% | 0.636 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.9 | -41.6 | 176.9 | -175.9 | -91.3 | 0 | 0 | 0 | 112 | T180 R181 A182 S188 | T180-F184 PolarHBondContact O-N 3.24Å; T180-F184 VanDerWaalsContact O-N 3.15Å; R181-F184 PolarHBondContact O-N 3.32Å; A182-F184 VanDerWaalsContact C-N 3.28Å; A182-F184 PolarHBondContact O-N 3.49Å; F184-S188 WeakPolarHBondContact O-CB 3.43Å; F184-S188 PolarHBondContact O-N 3.29Å; F184-S188 PolarHBondContact O-OG 2.84Å |
| 185 | A | 94 | Very high | 94.9 | Very high | 49 Ų | 49 | 106.6 Ų | 106.6 | 41% | 0.405 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.8 | -46.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | R181 A182 R187 S188 V189 | R181-A185 PolarHBondContact O-N 3.06Å; A182-A185 WeakPolarHBondContact O-CB 3.28Å; A182-A185 PolarHBondContact O-N 3.01Å; A185-R187 PolarHBondContact O-N 2.97Å; A185-S188 WeakPolarHBondContact O-CB 3.49Å; A185-S188 PolarHBondContact O-N 3.14Å; A185-S188 VanDerWaalsContact O-N 3.09Å; A185-V189 WeakPolarHBondContact O-CG2 3.47Å; A185-V189 PolarHBondContact O-N 2.99Å |
| 186 | E | 94.6 | Very high | 94.8 | Very high | 137 Ų | 137 | 104.2 Ų | 104.2 | 64% | 0.64 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59 | -46.5 | 176.1 | -73.1 | 178.8 | 178.5 | 0 | 0 | 112.1 | A182 E183 S188 V189 A190 | A182-E186 WeakPolarHBondContact O-CG 3.39Å; A182-E186 PolarHBondContact O-N 3.28Å; E183-E186 PolarHBondContact O-N 3.15Å; E186-S188 VanDerWaalsContact C-N 3.25Å; E186-S188 PolarHBondContact O-N 3.42Å; E186-V189 PolarHBondContact O-N 2.88Å; E186-A190 WeakPolarHBondContact O-CB 3.36Å; E186-A190 PolarHBondContact O-N 3.3Å |
| 187 | R | 94.1 | Very high | 94.6 | Very high | 166 Ų | 166 | 102.7 Ų | 102.7 | 63% | 0.626 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.6 | -36 | 174.5 | -73.9 | 178.4 | -172.7 | -178.6 | 7.4 | 112.5 | E183 A185 K191 | E183-R187 WeakPolarHBondContact O-CB 3.31Å; E183-R187 VanDerWaalsContact O-CG 3.31Å; E183-R187 WeakPolarHBondContact O-CG 3.48Å; E183-R187 PolarHBondContact O-N 3.19Å; A185-R187 PolarHBondContact O-N 2.97Å; R187-K191 VanDerWaalsContact O-CG 3.28Å; R187-K191 WeakPolarHBondContact O-CG 3.43Å; R187-K191 PolarHBondContact O-N 2.8Å; R187-K191 VanDerWaalsContact O-N 3.09Å |
| 188 | S | 93.3 | Very high | 94.5 | Very high | 36 Ų | 36 | 98.9 Ų | 98.9 | 25% | 0.252 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.8 | -41.9 | 178 | -59 | 0 | 0 | 0 | 0 | 111.1 | F184 A185 E186 K191 L192 | F184-S188 WeakPolarHBondContact O-CB 3.43Å; F184-S188 PolarHBondContact O-N 3.29Å; F184-S188 PolarHBondContact O-OG 2.84Å; A185-S188 WeakPolarHBondContact O-CB 3.49Å; A185-S188 PolarHBondContact O-N 3.14Å; A185-S188 VanDerWaalsContact O-N 3.09Å; E186-S188 VanDerWaalsContact C-N 3.25Å; E186-S188 PolarHBondContact O-N 3.42Å; S188-K191 PolarHBondContact O-N 2.93Å; S188-L192 WeakPolarHBondContact O-CG 3.41Å; S188-L192 PolarHBondContact O-N 2.92Å |
| 189 | V | 94.4 | Very high | 94.3 | Very high | 75 Ų | 75 | 101.2 Ų | 101.2 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.2 | -52.1 | 173 | 171.1 | 0 | 0 | 0 | 0 | 110.2 | A185 E186 K191 L192 E193 | A185-V189 WeakPolarHBondContact O-CG2 3.47Å; A185-V189 PolarHBondContact O-N 2.99Å; E186-V189 PolarHBondContact O-N 2.88Å; V189-K191 VanDerWaalsContact C-N 3.27Å; V189-K191 PolarHBondContact O-N 3.37Å; V189-L192 CarbonylContact O-C 3.58Å; V189-L192 WeakPolarHBondContact O-CA 3.36Å; V189-L192 PolarHBondContact O-N 3Å; V189-E193 HydrophobicContact CG1-CG 4.23Å; V189-E193 WeakPolarHBondContact O-CG 3.42Å; V189-E193 PolarHBondContact O-N 3.48Å |
| 190 | A | 94.3 | Very high | 94.1 | Very high | 51 Ų | 51 | 101.2 Ų | 101.2 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.9 | -36.5 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | E186 K194 | E186-A190 WeakPolarHBondContact O-CB 3.36Å; E186-A190 PolarHBondContact O-N 3.3Å; A190-K194 PolarHBondContact O-N 2.98Å |
| 191 | K | 94.5 | Very high | 94 | Very high | 148 Ų | 148 | 102.1 Ų | 102.1 | 64% | 0.643 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.6 | -45.1 | 172.7 | -77.6 | 174 | -177.2 | 178.7 | 0 | 111.8 | R187 S188 V189 K194 T195 | R187-K191 VanDerWaalsContact O-CG 3.28Å; R187-K191 WeakPolarHBondContact O-CG 3.43Å; R187-K191 PolarHBondContact O-N 2.8Å; R187-K191 VanDerWaalsContact O-N 3.09Å; S188-K191 PolarHBondContact O-N 2.93Å; V189-K191 VanDerWaalsContact C-N 3.27Å; V189-K191 PolarHBondContact O-N 3.37Å; K191-K194 PolarHBondContact O-N 2.97Å; K191-T195 WeakPolarHBondContact O-CG2 3.45Å; K191-T195 PolarHBondContact O-N 3.09Å; K191-T195 PolarHBondContact O-OG1 3.46Å |
| 192 | L | 93.1 | Very high | 93.7 | Very high | 110 Ų | 110 | 98.7 Ų | 98.7 | 58% | 0.576 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.8 | -42.9 | 179.1 | -71.6 | 167 | 0 | 0 | 0 | 111 | S188 V189 K194 T195 I196 | S188-L192 WeakPolarHBondContact O-CG 3.41Å; S188-L192 PolarHBondContact O-N 2.92Å; V189-L192 CarbonylContact O-C 3.58Å; V189-L192 WeakPolarHBondContact O-CA 3.36Å; V189-L192 PolarHBondContact O-N 3Å; L192-K194 PolarHBondContact O-N 3.23Å; L192-T195 WeakPolarHBondContact CA-OG1 3.49Å; L192-T195 PolarHBondContact O-N 3.44Å; L192-T195 VanDerWaalsContact O-N 3.14Å; L192-T195 PolarHBondContact O-OG1 3.06Å; L192-I196 WeakPolarHBondContact O-CG1 3.46Å; L192-I196 PolarHBondContact O-N 3.16Å |
| 193 | E | 93.4 | Very high | 93.5 | Very high | 109 Ų | 109 | 101 Ų | 101 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -55.4 | -50.6 | 173 | -72.4 | 174.4 | 159.1 | 0 | 0 | 111 | V189 T195 I196 D197 | V189-E193 HydrophobicContact CG1-CG 4.23Å; V189-E193 WeakPolarHBondContact O-CG 3.42Å; V189-E193 PolarHBondContact O-N 3.48Å; E193-T195 VanDerWaalsContact C-N 3.3Å; E193-T195 PolarHBondContact O-N 2.91Å; E193-I196 WeakPolarHBondContact O-CA 3.34Å; E193-I196 WeakPolarHBondContact O-CB 3.41Å; E193-I196 PolarHBondContact O-N 3.4Å; E193-D197 PolarHBondContact O-N 2.82Å |
| 194 | K | 94.4 | Very high | 93.3 | Very high | 133 Ų | 133 | 102.6 Ų | 102.6 | 58% | 0.578 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -57.9 | -41.8 | 175.6 | -174.1 | -179.8 | 178.6 | -179.3 | 0 | 112.6 | A190 K191 L192 I196 D197 D198 | A190-K194 PolarHBondContact O-N 2.98Å; K191-K194 PolarHBondContact O-N 2.97Å; L192-K194 PolarHBondContact O-N 3.23Å; K194-I196 VanDerWaalsContact C-N 3.28Å; K194-I196 PolarHBondContact O-N 3.36Å; K194-D197 PolarHBondContact O-N 2.84Å; K194-D198 WeakPolarHBondContact O-CB 3.25Å; K194-D198 VanDerWaalsContact O-CG 3.29Å; K194-D198 PolarHBondContact O-N 2.99Å |
| 195 | T | 93.8 | Very high | 92.9 | Very high | 67 Ų | 67 | 99 Ų | 99 | 41% | 0.411 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.1 | -31.3 | 176.8 | 57 | 0 | 0 | 0 | 0 | 112.7 | K191 L192 E193 L199 | K191-T195 WeakPolarHBondContact O-CG2 3.45Å; K191-T195 PolarHBondContact O-N 3.09Å; K191-T195 PolarHBondContact O-OG1 3.46Å; L192-T195 WeakPolarHBondContact CA-OG1 3.49Å; L192-T195 PolarHBondContact O-N 3.44Å; L192-T195 VanDerWaalsContact O-N 3.14Å; L192-T195 PolarHBondContact O-OG1 3.06Å; E193-T195 VanDerWaalsContact C-N 3.3Å; E193-T195 PolarHBondContact O-N 2.91Å; T195-L199 WeakPolarHBondContact O-CB 3.38Å; T195-L199 WeakPolarHBondContact O-CD1 3.49Å; T195-L199 WeakPolarHBondContact O-CG 3.49Å; T195-L199 PolarHBondContact O-N 3.43Å |
| 196 | I | 93.8 | Very high | 92.5 | Very high | 85 Ų | 85 | 99.6 Ų | 99.6 | 44% | 0.436 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.6 | -50.5 | 173.4 | -70.4 | 165 | 0 | 0 | 0 | 108.8 | L192 E193 K194 D198 L199 E200 | L192-I196 WeakPolarHBondContact O-CG1 3.46Å; L192-I196 PolarHBondContact O-N 3.16Å; E193-I196 WeakPolarHBondContact O-CA 3.34Å; E193-I196 WeakPolarHBondContact O-CB 3.41Å; E193-I196 PolarHBondContact O-N 3.4Å; K194-I196 VanDerWaalsContact C-N 3.28Å; K194-I196 PolarHBondContact O-N 3.36Å; I196-D198 PolarHBondContact O-N 3.25Å; I196-L199 CarbonylContact O-C 3.59Å; I196-L199 WeakPolarHBondContact O-CA 3.14Å; I196-L199 WeakPolarHBondContact O-CB 3.28Å; I196-L199 PolarHBondContact O-N 2.91Å; I196-E200 HydrophobicContact CG2-CG 4.22Å; I196-E200 WeakPolarHBondContact O-CG 3.32Å; I196-E200 PolarHBondContact O-N 3.17Å |
| 197 | D | 94.4 | Very high | 92.1 | Very high | 92 Ų | 92 | 99.4 Ų | 99.4 | 49% | 0.492 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -55.1 | -49.1 | 176.7 | -63.8 | -22.6 | 0 | 0 | 0 | 111.5 | E193 K194 L199 E200 D201 | E193-D197 PolarHBondContact O-N 2.82Å; K194-D197 PolarHBondContact O-N 2.84Å; D197-L199 VanDerWaalsContact C-N 3.26Å; D197-L199 PolarHBondContact O-N 3.46Å; D197-E200 PolarHBondContact O-N 2.81Å; D197-E200 VanDerWaalsContact O-N 3.17Å; D197-D201 PolarHBondContact O-N 3.27Å |
| 198 | D | 93.2 | Very high | 91.8 | Very high | 73 Ų | 73 | 96.8 Ų | 96.8 | 39% | 0.39 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.4 | -35.5 | 177.7 | -73.5 | -25.9 | 0 | 0 | 0 | 112.2 | K194 I196 K202 | K194-D198 WeakPolarHBondContact O-CB 3.25Å; K194-D198 VanDerWaalsContact O-CG 3.29Å; K194-D198 PolarHBondContact O-N 2.99Å; I196-D198 PolarHBondContact O-N 3.25Å; D198-K202 WeakPolarHBondContact O-CD 3.45Å; D198-K202 VanDerWaalsContact O-CG 3.28Å; D198-K202 WeakPolarHBondContact O-CG 3.35Å; D198-K202 PolarHBondContact O-N 2.87Å |
| 199 | L | 92.3 | Very high | 91.4 | Very high | 109 Ų | 109 | 101.1 Ų | 101.1 | 57% | 0.571 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -75.8 | -38.1 | 177.1 | -74.7 | 170.8 | 0 | 0 | 0 | 111.8 | T195 I196 D197 K202 L203 | T195-L199 WeakPolarHBondContact O-CB 3.38Å; T195-L199 WeakPolarHBondContact O-CD1 3.49Å; T195-L199 WeakPolarHBondContact O-CG 3.49Å; T195-L199 PolarHBondContact O-N 3.43Å; I196-L199 CarbonylContact O-C 3.59Å; I196-L199 WeakPolarHBondContact O-CA 3.14Å; I196-L199 WeakPolarHBondContact O-CB 3.28Å; I196-L199 PolarHBondContact O-N 2.91Å; D197-L199 VanDerWaalsContact C-N 3.26Å; D197-L199 PolarHBondContact O-N 3.46Å; L199-K202 PolarHBondContact O-N 2.67Å; L199-L203 WeakPolarHBondContact O-CB 3.49Å; L199-L203 PolarHBondContact O-N 2.91Å |
| 200 | E | 92.2 | Very high | 90.9 | Very high | 118 Ų | 118 | 104 Ų | 104 | 55% | 0.551 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.5 | -43 | 175 | -73 | -175 | 169 | 0 | 0 | 111.4 | I196 D197 L203 K204 | I196-E200 HydrophobicContact CG2-CG 4.22Å; I196-E200 WeakPolarHBondContact O-CG 3.32Å; I196-E200 PolarHBondContact O-N 3.17Å; D197-E200 PolarHBondContact O-N 2.81Å; D197-E200 VanDerWaalsContact O-N 3.17Å; E200-L203 WeakPolarHBondContact O-CB 3.39Å; E200-L203 PolarHBondContact O-N 2.88Å; E200-K204 WeakPolarHBondContact O-CB 3.47Å; E200-K204 PolarHBondContact O-N 2.96Å |
| 201 | D | 92.4 | Very high | 90.5 | Very high | 102 Ų | 102 | 105.7 Ų | 105.7 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 174.7 | -84 | -18 | 0 | 0 | 0 | 111.9 | D197 L203 K204 C205 | D197-D201 PolarHBondContact O-N 3.27Å; D201-L203 VanDerWaalsContact C-N 3.34Å; D201-L203 PolarHBondContact O-N 3.04Å; D201-K204 WeakPolarHBondContact O-CB 3.37Å; D201-K204 PolarHBondContact O-N 3.04Å; D201-K204 VanDerWaalsContact O-N 3.16Å; D201-C205 PolarHBondContact O-N 3.38Å |
| 202 | K | 91.3 | Very high | 89.9 | Confident | 133 Ų | 133 | 102.1 Ų | 102.1 | 58% | 0.578 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.1 | -41 | 174.4 | -75.3 | 170.4 | -175.1 | 168.5 | 0 | 112.2 | D198 L199 K204 C205 T206 | D198-K202 WeakPolarHBondContact O-CD 3.45Å; D198-K202 VanDerWaalsContact O-CG 3.28Å; D198-K202 WeakPolarHBondContact O-CG 3.35Å; D198-K202 PolarHBondContact O-N 2.87Å; L199-K202 PolarHBondContact O-N 2.67Å; K202-K204 VanDerWaalsContact C-N 3.26Å; K202-K204 PolarHBondContact O-N 3.46Å; K202-C205 PolarHBondContact O-N 3.45Å; K202-T206 WeakPolarHBondContact O-CB 3.34Å; K202-T206 WeakPolarHBondContact O-CG2 3.46Å; K202-T206 PolarHBondContact O-N 2.98Å; K202-T206 PolarHBondContact O-OG1 3.16Å |
| 203 | L | 89.7 | Confident | 89.2 | Confident | 94 Ų | 94 | 100.5 Ų | 100.5 | 49% | 0.492 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.2 | -36.1 | 175.8 | -176.2 | 67.1 | 0 | 0 | 0 | 111 | L199 E200 D201 T206 K207 | L199-L203 WeakPolarHBondContact O-CB 3.49Å; L199-L203 PolarHBondContact O-N 2.91Å; E200-L203 WeakPolarHBondContact O-CB 3.39Å; E200-L203 PolarHBondContact O-N 2.88Å; D201-L203 VanDerWaalsContact C-N 3.34Å; D201-L203 PolarHBondContact O-N 3.04Å; L203-T206 WeakPolarHBondContact CA-OG1 3.43Å; L203-T206 PolarHBondContact O-OG1 3.41Å; L203-K207 HydrophobicContact CG-CD 4.5Å; L203-K207 WeakPolarHBondContact O-CB 3.33Å; L203-K207 VanDerWaalsContact O-CG 3.26Å; L203-K207 WeakPolarHBondContact O-CG 3.42Å; L203-K207 PolarHBondContact O-N 3.41Å |
| 204 | K | 91.4 | Very high | 88.5 | Confident | 123 Ų | 123 | 100.7 Ų | 100.7 | 54% | 0.535 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.5 | -50 | 175.6 | -173.2 | -177.2 | 173.8 | -171 | 0 | 111.7 | E200 D201 K202 T206 K207 E208 | E200-K204 WeakPolarHBondContact O-CB 3.47Å; E200-K204 PolarHBondContact O-N 2.96Å; D201-K204 WeakPolarHBondContact O-CB 3.37Å; D201-K204 PolarHBondContact O-N 3.04Å; D201-K204 VanDerWaalsContact O-N 3.16Å; K202-K204 VanDerWaalsContact C-N 3.26Å; K202-K204 PolarHBondContact O-N 3.46Å; K204-T206 VanDerWaalsContact C-N 3.35Å; K204-T206 PolarHBondContact O-N 2.81Å; K204-K207 WeakPolarHBondContact O-CB 3.36Å; K204-K207 PolarHBondContact O-N 3.16Å; K204-K207 VanDerWaalsContact O-N 3.16Å; K204-E208 VanDerWaalsContact CE-OE1 3.25Å; K204-E208 WeakPolarHBondContact CE-OE1 3.47Å; K204-E208 WeakPolarHBondContact O-CG 3.26Å; K204-E208 PolarHBondContact O-N 2.89Å |
| 205 | C | 86.8 | Confident | 87.8 | Confident | 69 Ų | 69 | 102.5 Ų | 102.5 | 47% | 0.466 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -55.7 | -48.2 | 175.7 | -77.3 | 0 | 0 | 0 | 0 | 111.9 | D201 K202 K207 E208 E209 | D201-C205 PolarHBondContact O-N 3.38Å; K202-C205 PolarHBondContact O-N 3.45Å; C205-K207 VanDerWaalsContact C-N 3.33Å; C205-K207 PolarHBondContact O-N 2.88Å; C205-E208 PolarHBondContact O-N 2.92Å; C205-E208 VanDerWaalsContact O-N 3.16Å; C205-E209 WeakPolarHBondContact O-CG 3.34Å; C205-E209 PolarHBondContact O-N 3.04Å |
| 206 | T | 84.6 | Confident | 87.1 | Confident | 62 Ų | 62 | 105.3 Ų | 105.3 | 38% | 0.38 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.6 | -36.5 | 178.2 | 48.7 | 0 | 0 | 0 | 0 | 112.4 | K202 L203 K204 H210 | K202-T206 WeakPolarHBondContact O-CB 3.34Å; K202-T206 WeakPolarHBondContact O-CG2 3.46Å; K202-T206 PolarHBondContact O-N 2.98Å; K202-T206 PolarHBondContact O-OG1 3.16Å; L203-T206 WeakPolarHBondContact CA-OG1 3.43Å; L203-T206 PolarHBondContact O-OG1 3.41Å; K204-T206 VanDerWaalsContact C-N 3.35Å; K204-T206 PolarHBondContact O-N 2.81Å; T206-H210 WeakPolarHBondContact O-CB 3.32Å; T206-H210 PolarHBondContact O-CD2 3.27Å; T206-H210 PolarHBondContact O-N 2.85Å |
| 207 | K | 87.4 | Confident | 86.3 | Confident | 133 Ų | 133 | 106.4 Ų | 106.4 | 58% | 0.578 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64 | -42 | 171.7 | -80.7 | 175.4 | -179.8 | 175.6 | 0 | 112.4 | L203 K204 C205 H210 L211 | L203-K207 HydrophobicContact CG-CD 4.5Å; L203-K207 WeakPolarHBondContact O-CB 3.33Å; L203-K207 VanDerWaalsContact O-CG 3.26Å; L203-K207 WeakPolarHBondContact O-CG 3.42Å; L203-K207 PolarHBondContact O-N 3.41Å; K204-K207 WeakPolarHBondContact O-CB 3.36Å; K204-K207 PolarHBondContact O-N 3.16Å; K204-K207 VanDerWaalsContact O-N 3.16Å; C205-K207 VanDerWaalsContact C-N 3.33Å; C205-K207 PolarHBondContact O-N 2.88Å; K207-H210 PolarHBondContact O-N 3.46Å; K207-L211 WeakPolarHBondContact O-CB 3.37Å; K207-L211 PolarHBondContact O-N 3.31Å |
| 208 | E | 87.8 | Confident | 85.6 | Confident | 110 Ų | 110 | 105.7 Ų | 105.7 | 51% | 0.514 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.3 | -42.7 | 177.1 | -72.1 | 175.2 | -176 | 0 | 0 | 111.6 | K204 C205 L211 C212 | K204-E208 VanDerWaalsContact CE-OE1 3.25Å; K204-E208 WeakPolarHBondContact CE-OE1 3.47Å; K204-E208 WeakPolarHBondContact O-CG 3.26Å; K204-E208 PolarHBondContact O-N 2.89Å; C205-E208 PolarHBondContact O-N 2.92Å; C205-E208 VanDerWaalsContact O-N 3.16Å; E208-L211 PolarHBondContact O-N 3.48Å; E208-C212 WeakPolarHBondContact O-CB 3.42Å; E208-C212 PolarHBondContact O-N 3.49Å |
| 209 | E | 85 | Confident | 84.8 | Confident | 128 Ų | 128 | 107.3 Ų | 107.3 | 60% | 0.598 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.2 | -43.5 | 172 | -72 | 174.2 | 175 | 0 | 0 | 111.7 | C205 C212 T213 | C205-E209 WeakPolarHBondContact O-CG 3.34Å; C205-E209 PolarHBondContact O-N 3.04Å; E209-C212 PolarHBondContact O-N 2.88Å; E209-T213 WeakPolarHBondContact O-CG2 3.45Å; E209-T213 PolarHBondContact O-N 2.88Å; E209-T213 PolarHBondContact O-OG1 3.49Å |
| 210 | H | 82.3 | Confident | 83.8 | Confident | 134 Ų | 134 | 105.4 Ų | 105.4 | 62% | 0.62 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.8 | -42.1 | 173.8 | -94.3 | -53.8 | 0 | 0 | 0 | 112.2 | T206 K207 C212 T213 Q214 | T206-H210 WeakPolarHBondContact O-CB 3.32Å; T206-H210 PolarHBondContact O-CD2 3.27Å; T206-H210 PolarHBondContact O-N 2.85Å; K207-H210 PolarHBondContact O-N 3.46Å; H210-C212 VanDerWaalsContact C-N 3.33Å; H210-C212 PolarHBondContact O-N 2.92Å; H210-T213 VanDerWaalsContact CA-OG1 3.27Å; H210-T213 WeakPolarHBondContact CA-OG1 3.38Å; H210-T213 PolarHBondContact O-N 3.42Å; H210-T213 PolarHBondContact O-OG1 2.98Å; H210-Q214 WeakPolarHBondContact O-CB 3.27Å; H210-Q214 PolarHBondContact O-N 3.15Å |
| 211 | L | 86.9 | Confident | 82.8 | Confident | 87 Ų | 87 | 104.1 Ų | 104.1 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65 | -39.5 | 176.9 | -149.1 | 93.4 | 0 | 0 | 0 | 111.3 | K207 E208 Q214 R215 | K207-L211 WeakPolarHBondContact O-CB 3.37Å; K207-L211 PolarHBondContact O-N 3.31Å; E208-L211 PolarHBondContact O-N 3.48Å; L211-Q214 PolarHBondContact O-N 2.91Å; L211-R215 WeakPolarHBondContact O-CG 3.4Å; L211-R215 PolarHBondContact O-N 3.3Å |
| 212 | C | 81 | Confident | 81.7 | Confident | 73 Ų | 73 | 103.8 Ų | 103.8 | 49% | 0.493 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.3 | -47.8 | 176.8 | -172.4 | 0 | 0 | 0 | 0 | 111.4 | E208 E209 H210 Q214 R215 M216 | E208-C212 WeakPolarHBondContact O-CB 3.42Å; E208-C212 PolarHBondContact O-N 3.49Å; E209-C212 PolarHBondContact O-N 2.88Å; H210-C212 VanDerWaalsContact C-N 3.33Å; H210-C212 PolarHBondContact O-N 2.92Å; C212-Q214 VanDerWaalsContact C-N 3.34Å; C212-Q214 PolarHBondContact O-N 3.28Å; C212-R215 PolarHBondContact O-N 2.85Å; C212-M216 WeakPolarHBondContact O-CG 3.2Å; C212-M216 PolarHBondContact O-N 3.37Å |
| 213 | T | 78.4 | Confident | 80.6 | Confident | 76 Ų | 76 | 101.4 Ų | 101.4 | 47% | 0.466 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.6 | -38.9 | 175.5 | 49.3 | 0 | 0 | 0 | 0 | 111.9 | E209 H210 M216 L217 | E209-T213 WeakPolarHBondContact O-CG2 3.45Å; E209-T213 PolarHBondContact O-N 2.88Å; E209-T213 PolarHBondContact O-OG1 3.49Å; H210-T213 VanDerWaalsContact CA-OG1 3.27Å; H210-T213 WeakPolarHBondContact CA-OG1 3.38Å; H210-T213 PolarHBondContact O-N 3.42Å; H210-T213 PolarHBondContact O-OG1 2.98Å; T213-M216 PolarHBondContact O-N 2.88Å; T213-L217 WeakPolarHBondContact O-CB 3.36Å; T213-L217 PolarHBondContact O-N 2.85Å |
| 214 | Q | 80.3 | Confident | 79.4 | Confident | 113 Ų | 113 | 102.4 Ų | 102.4 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 174.3 | -172.6 | 172.1 | 0.7 | 0 | 0 | 111.8 | H210 L211 C212 M216 L217 D218 | H210-Q214 WeakPolarHBondContact O-CB 3.27Å; H210-Q214 PolarHBondContact O-N 3.15Å; L211-Q214 PolarHBondContact O-N 2.91Å; C212-Q214 VanDerWaalsContact C-N 3.34Å; C212-Q214 PolarHBondContact O-N 3.28Å; Q214-M216 VanDerWaalsContact C-N 3.34Å; Q214-M216 PolarHBondContact O-N 3.46Å; Q214-L217 WeakPolarHBondContact O-CB 3.36Å; Q214-L217 PolarHBondContact O-N 2.83Å; Q214-L217 VanDerWaalsContact O-N 3.15Å; Q214-D218 PolarHBondContact O-N 2.86Å |
| 215 | R | 79.3 | Confident | 77.7 | Confident | 171 Ų | 171 | 103.4 Ų | 103.4 | 65% | 0.645 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61 | -41.4 | 173.6 | -76.1 | 178 | -174.7 | 168.5 | 2.5 | 112.4 | L211 C212 L217 D218 Q219 | L211-R215 WeakPolarHBondContact O-CG 3.4Å; L211-R215 PolarHBondContact O-N 3.3Å; C212-R215 PolarHBondContact O-N 2.85Å; R215-L217 VanDerWaalsContact C-N 3.3Å; R215-D218 PolarHBondContact O-N 3.18Å; R215-Q219 WeakPolarHBondContact O-CB 3.47Å; R215-Q219 PolarHBondContact O-N 3.42Å |
| 216 | M | 79.3 | Confident | 76.2 | Confident | 127 Ų | 127 | 108.1 Ų | 108.1 | 63% | 0.626 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.5 | -39.2 | 174.8 | -68.1 | -132.3 | -59.8 | 0 | 0 | 111.2 | C212 T213 Q214 Q219 T220 | C212-M216 WeakPolarHBondContact O-CG 3.2Å; C212-M216 PolarHBondContact O-N 3.37Å; T213-M216 PolarHBondContact O-N 2.88Å; Q214-M216 VanDerWaalsContact C-N 3.34Å; Q214-M216 PolarHBondContact O-N 3.46Å; M216-Q219 PolarHBondContact O-N 3.33Å; M216-T220 WeakPolarHBondContact O-CG2 3.4Å; M216-T220 PolarHBondContact O-N 2.9Å; M216-T220 PolarHBondContact O-OG1 3.45Å |
| 217 | L | 77.4 | Confident | 74.7 | Confident | 107 Ų | 107 | 115.8 Ų | 115.8 | 56% | 0.56 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.5 | -46.9 | 176.6 | -153 | 86.1 | 0 | 0 | 0 | 111.4 | T213 Q214 R215 Q219 T220 L221 | T213-L217 WeakPolarHBondContact O-CB 3.36Å; T213-L217 PolarHBondContact O-N 2.85Å; Q214-L217 WeakPolarHBondContact O-CB 3.36Å; Q214-L217 PolarHBondContact O-N 2.83Å; Q214-L217 VanDerWaalsContact O-N 3.15Å; R215-L217 VanDerWaalsContact C-N 3.3Å; L217-Q219 VanDerWaalsContact C-N 3.32Å; L217-Q219 PolarHBondContact O-N 3.23Å; L217-T220 WeakPolarHBondContact CA-OG1 3.32Å; L217-T220 PolarHBondContact O-N 2.86Å; L217-T220 PolarHBondContact O-OG1 3.19Å; L217-L221 WeakPolarHBondContact O-CB 3.42Å; L217-L221 WeakPolarHBondContact O-CG 3.48Å; L217-L221 PolarHBondContact O-N 3.37Å |
| 218 | D | 79.4 | Confident | 74.1 | Confident | 78 Ų | 78 | 114.9 Ų | 114.9 | 42% | 0.417 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.6 | -39.9 | 176.4 | -68.9 | -25.1 | 0 | 0 | 0 | 111.3 | Q214 R215 L221 L222 | Q214-D218 PolarHBondContact O-N 2.86Å; R215-D218 PolarHBondContact O-N 3.18Å; D218-L221 PolarHBondContact O-N 2.91Å; D218-L222 WeakPolarHBondContact O-CG 3.4Å; D218-L222 PolarHBondContact O-N 2.83Å |
| 219 | Q | 76.2 | Confident | 73.4 | Confident | 106 Ų | 106 | 115.2 Ų | 115.2 | 50% | 0.495 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.4 | -47 | 172.7 | -172.9 | 65 | 46.4 | 0 | 0 | 111.1 | R215 M216 L217 L221 L222 D223 | R215-Q219 WeakPolarHBondContact O-CB 3.47Å; R215-Q219 PolarHBondContact O-N 3.42Å; M216-Q219 PolarHBondContact O-N 3.33Å; L217-Q219 VanDerWaalsContact C-N 3.32Å; L217-Q219 PolarHBondContact O-N 3.23Å; Q219-L221 VanDerWaalsContact C-N 3.28Å; Q219-L221 PolarHBondContact O-N 2.89Å; Q219-L222 PolarHBondContact O-N 2.72Å; Q219-D223 PolarHBondContact NE2-OD1 3.33Å; Q219-D223 WeakPolarHBondContact O-CB 3.45Å; Q219-D223 PolarHBondContact O-N 3.02Å |
| 220 | T | 70.1 | Confident | 72.7 | Confident | 69 Ų | 69 | 114.4 Ų | 114.4 | 42% | 0.423 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.8 | -31.6 | 176.2 | 53.2 | 0 | 0 | 0 | 0 | 113.1 | M216 L217 L224 | M216-T220 WeakPolarHBondContact O-CG2 3.4Å; M216-T220 PolarHBondContact O-N 2.9Å; M216-T220 PolarHBondContact O-OG1 3.45Å; L217-T220 WeakPolarHBondContact CA-OG1 3.32Å; L217-T220 PolarHBondContact O-N 2.86Å; L217-T220 PolarHBondContact O-OG1 3.19Å; T220-L224 WeakPolarHBondContact O-CB 3.35Å; T220-L224 WeakPolarHBondContact O-CD1 3.42Å; T220-L224 WeakPolarHBondContact O-CG 3.46Å; T220-L224 PolarHBondContact O-N 3.01Å |
| 221 | L | 71 | Confident | 72.2 | Confident | 92 Ų | 92 | 113.3 Ų | 113.3 | 48% | 0.482 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -71.3 | -38 | 174.6 | -78.8 | 169.1 | 0 | 0 | 0 | 111.9 | L217 D218 Q219 L224 N225 | L217-L221 WeakPolarHBondContact O-CB 3.42Å; L217-L221 WeakPolarHBondContact O-CG 3.48Å; L217-L221 PolarHBondContact O-N 3.37Å; D218-L221 PolarHBondContact O-N 2.91Å; Q219-L221 VanDerWaalsContact C-N 3.28Å; Q219-L221 PolarHBondContact O-N 2.89Å; L221-L224 PolarHBondContact O-N 3.22Å; L221-N225 WeakPolarHBondContact O-CB 3.47Å; L221-N225 PolarHBondContact O-N 3Å |
| 222 | L | 69.8 | Low | 71.3 | Confident | 95 Ų | 95 | 114.9 Ų | 114.9 | 50% | 0.497 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.7 | -48.2 | 170.9 | -80.2 | 162.9 | 0 | 0 | 0 | 110.9 | D218 Q219 L224 N225 E226 | D218-L222 WeakPolarHBondContact O-CG 3.4Å; D218-L222 PolarHBondContact O-N 2.83Å; Q219-L222 PolarHBondContact O-N 2.72Å; L222-L224 PolarHBondContact O-N 3.44Å; L222-N225 PolarHBondContact O-N 2.99Å; L222-E226 PolarHBondContact O-N 3.43Å |
| 223 | D | 69.4 | Low | 70.6 | Confident | 82 Ų | 82 | 117.7 Ų | 117.7 | 44% | 0.439 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -59.9 | -30.9 | 177.6 | -62.1 | -14.6 | 0 | 0 | 0 | 111.8 | Q219 | Q219-D223 PolarHBondContact NE2-OD1 3.33Å; Q219-D223 WeakPolarHBondContact O-CB 3.45Å; Q219-D223 PolarHBondContact O-N 3.02Å |
| 224 | L | 63.7 | Low | 70.1 | Confident | 115 Ų | 115 | 120.7 Ų | 120.7 | 60% | 0.602 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -79.1 | -28.9 | 174 | -87.3 | 160.8 | 0 | 0 | 0 | 114.1 | T220 L221 L222 | T220-L224 WeakPolarHBondContact O-CB 3.35Å; T220-L224 WeakPolarHBondContact O-CD1 3.42Å; T220-L224 WeakPolarHBondContact O-CG 3.46Å; T220-L224 PolarHBondContact O-N 3.01Å; L221-L224 PolarHBondContact O-N 3.22Å; L222-L224 PolarHBondContact O-N 3.44Å |
| 225 | N | 56.8 | Low | 69.3 | Low | 145 Ų | 145 | 121.3 Ų | 121.3 | 78% | 0.775 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -83.1 | -17.8 | 177 | -103.4 | -14.2 | 0 | 0 | 0 | 112.8 | L221 L222 M227 | L221-N225 WeakPolarHBondContact O-CB 3.47Å; L221-N225 PolarHBondContact O-N 3Å; L222-N225 PolarHBondContact O-N 2.99Å; N225-M227 VanDerWaalsContact C-N 3.33Å |
| 226 | E | 55.2 | Low | 68.4 | Low | 167 Ų | 167 | 117.2 Ų | 117.2 | 78% | 0.78 | 60% | 0.6 | S | S | * | * | trans | -88.4 | 1.8 | 172.3 | -68.3 | -169.7 | 172.3 | 0 | 0 | 113.3 | L222 | L222-E226 PolarHBondContact O-N 3.43Š| ||
| 227 | M | 52.9 | Low | 67.4 | Low | 223 Ų | 223 | 116.3 Ų | 116.3 | 100% | 1.099 | 60% | 0.597 | S | S | * | * | trans | -102.3 | 0 | 169.2 | -80.5 | -165.8 | 143.5 | 0 | 0 | 112.2 | N225 | N225-M227 VanDerWaalsContact C-N 3.33Š|
Retrieved 227 of 227 residues in 113.3 ms
(Link to these results)