| 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 | 60.6 | Low | 81.2 | Confident | 189 Ų | 189 | 114 Ų | 114 | 93% | 0.931 | 58% | 0.58 | S | S | * | * | 0 | 129.9 | 0 | -78 | -70.5 | -82.5 | 0 | 0 | 108 | K5 | M1-K5 HydrophobicContact CE-CB 4.4Š| |||
| 2 | S | 78.9 | Confident | 81.9 | Confident | 62 Ų | 62 | 110 Ų | 110 | 43% | 0.434 | 57% | 0.57 | S | S | . | * | trans | -74.9 | 143.3 | 179.6 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | E4 K5 M6 | S2-E4 PolarHBondContact O-N 2.85Å; S2-K5 WeakPolarHBondContact O-CB 3.44Å; S2-K5 PolarHBondContact O-N 3.39Å; S2-M6 PolarHBondContact O-N 3.38Å | ||
| 3 | V | 78.5 | Confident | 82.6 | Confident | 114 Ų | 114 | 110.2 Ų | 110.2 | 69% | 0.691 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -53.1 | -38.3 | -179.5 | 175.8 | 0 | 0 | 0 | 0 | 111.6 | K5 M6 T7 | V3-K5 VanDerWaalsContact C-N 3.27Å; V3-K5 PolarHBondContact O-N 3.02Å; V3-M6 PolarHBondContact O-N 3.33Å; V3-M6 VanDerWaalsContact O-N 3.11Å; V3-T7 PolarHBondContact O-N 2.86Å; V3-T7 PolarHBondContact O-OG1 3.31Å |
| 4 | E | 77.8 | Confident | 83.3 | Confident | 135 Ų | 135 | 109.9 Ų | 109.9 | 63% | 0.631 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.7 | -27.3 | 176.6 | -64.8 | 179.8 | 168 | 0 | 0 | 114.3 | S2 T7 K8 | S2-E4 PolarHBondContact O-N 2.85Å; E4-T7 WeakPolarHBondContact CA-OG1 3.26Å; E4-T7 PolarHBondContact O-OG1 3.39Å; E4-T7 VanDerWaalsContact O-OG1 3.04Å; E4-K8 WeakPolarHBondContact O-CG 3.36Å; E4-K8 PolarHBondContact O-N 3.26Å |
| 5 | K | 79.7 | Confident | 83.9 | Confident | 128 Ų | 128 | 114 Ų | 114 | 56% | 0.557 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -77.8 | -33.5 | 175.6 | -64.8 | -174.7 | 179.1 | -176.7 | 0 | 110.6 | M1 S2 V3 V9 | M1-K5 HydrophobicContact CE-CB 4.4Å; S2-K5 WeakPolarHBondContact O-CB 3.44Å; S2-K5 PolarHBondContact O-N 3.39Å; V3-K5 VanDerWaalsContact C-N 3.27Å; V3-K5 PolarHBondContact O-N 3.02Å; K5-V9 VanDerWaalsContact O-CG2 3.28Å; K5-V9 WeakPolarHBondContact O-CG2 3.26Å; K5-V9 PolarHBondContact O-N 3.12Å |
| 6 | M | 80 | Confident | 84.5 | Confident | 124 Ų | 124 | 110.4 Ų | 110.4 | 61% | 0.611 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -70.7 | -40 | 176.9 | -66.2 | -166.5 | 71.5 | 0 | 0 | 111.9 | S2 V3 V9 E10 | S2-M6 PolarHBondContact O-N 3.38Å; V3-M6 PolarHBondContact O-N 3.33Å; V3-M6 VanDerWaalsContact O-N 3.11Å; M6-V9 PolarHBondContact O-N 3Å; M6-E10 PolarHBondContact O-N 3.41Å |
| 7 | T | 83.5 | Confident | 85.2 | Confident | 71 Ų | 71 | 107.7 Ų | 107.7 | 44% | 0.436 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 176.4 | 51.9 | 0 | 0 | 0 | 0 | 112.3 | V3 E4 V9 E10 E11 | V3-T7 PolarHBondContact O-N 2.86Å; V3-T7 PolarHBondContact O-OG1 3.31Å; E4-T7 WeakPolarHBondContact CA-OG1 3.26Å; E4-T7 PolarHBondContact O-OG1 3.39Å; E4-T7 VanDerWaalsContact O-OG1 3.04Å; T7-V9 VanDerWaalsContact C-N 3.33Å; T7-V9 PolarHBondContact O-N 3.36Å; T7-E10 PolarHBondContact O-N 2.89Å; T7-E11 WeakPolarHBondContact O-CG 3.47Å; T7-E11 PolarHBondContact O-N 2.98Å |
| 8 | K | 87.3 | Confident | 85.7 | Confident | 138 Ų | 138 | 103.8 Ų | 103.8 | 60% | 0.6 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.4 | -37.7 | 174.6 | -73.9 | 175.7 | -178 | 177.2 | 0 | 113.2 | E4 S12 | E4-K8 WeakPolarHBondContact O-CG 3.36Å; E4-K8 PolarHBondContact O-N 3.26Å; K8-S12 WeakPolarHBondContact O-CB 3.37Å; K8-S12 PolarHBondContact O-N 3.22Å; K8-S12 PolarHBondContact O-OG 3.45Å |
| 9 | V | 87.4 | Confident | 86.2 | Confident | 90 Ų | 90 | 104.2 Ų | 104.2 | 55% | 0.545 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.4 | -44.4 | 175.6 | 170.3 | 0 | 0 | 0 | 0 | 110.4 | K5 M6 T7 E11 S12 F13 | K5-V9 VanDerWaalsContact O-CG2 3.28Å; K5-V9 WeakPolarHBondContact O-CG2 3.26Å; K5-V9 PolarHBondContact O-N 3.12Å; M6-V9 PolarHBondContact O-N 3Å; T7-V9 VanDerWaalsContact C-N 3.33Å; T7-V9 PolarHBondContact O-N 3.36Å; V9-E11 PolarHBondContact O-N 3.32Å; V9-S12 PolarHBondContact O-N 3.06Å; V9-S12 PolarHBondContact O-OG 3.34Å; V9-F13 WeakPolarHBondContact O-CB 3.4Å; V9-F13 PolarHBondContact O-N 3.49Å |
| 10 | E | 88.4 | Confident | 86.7 | Confident | 98 Ų | 98 | 105.4 Ų | 105.4 | 46% | 0.458 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.2 | -46.2 | 176.2 | -174.2 | 57 | -148 | 0 | 0 | 111.8 | M6 T7 S12 F13 Q14 | M6-E10 PolarHBondContact O-N 3.41Å; T7-E10 PolarHBondContact O-N 2.89Å; E10-S12 VanDerWaalsContact C-N 3.33Å; E10-S12 PolarHBondContact O-N 3.18Å; E10-F13 WeakPolarHBondContact O-CB 3.49Å; E10-F13 PolarHBondContact O-N 2.88Å; E10-F13 VanDerWaalsContact O-N 3.16Å; E10-Q14 WeakPolarHBondContact O-CG 3.17Å; E10-Q14 PolarHBondContact O-N 3.11Å; E10-Q14 PolarHBondContact OE1-NE2 3.4Å |
| 11 | E | 91.1 | Very high | 87.2 | Confident | 105 Ų | 105 | 106.2 Ų | 106.2 | 49% | 0.491 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.7 | -42.4 | 175.7 | -73.3 | 177.4 | -166.1 | 0 | 0 | 112.6 | T7 V9 F13 Q14 R15 | T7-E11 WeakPolarHBondContact O-CG 3.47Å; T7-E11 PolarHBondContact O-N 2.98Å; V9-E11 PolarHBondContact O-N 3.32Å; E11-F13 VanDerWaalsContact C-N 3.31Å; E11-F13 PolarHBondContact O-N 3.03Å; E11-Q14 PolarHBondContact O-N 3.32Å; E11-R15 VanDerWaalsContact O-CG 3.3Å; E11-R15 WeakPolarHBondContact O-CG 3.3Å; E11-R15 PolarHBondContact O-N 2.94Å; E11-R15 IonicContact OE2-NH2 3.95Å |
| 12 | S | 89.2 | Confident | 88.9 | Confident | 66 Ų | 66 | 103.4 Ų | 103.4 | 46% | 0.462 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.2 | -37.1 | 177.1 | 71.6 | 0 | 0 | 0 | 0 | 112 | K8 V9 E10 R15 A16 | K8-S12 WeakPolarHBondContact O-CB 3.37Å; K8-S12 PolarHBondContact O-N 3.22Å; K8-S12 PolarHBondContact O-OG 3.45Å; V9-S12 PolarHBondContact O-N 3.06Å; V9-S12 PolarHBondContact O-OG 3.34Å; E10-S12 VanDerWaalsContact C-N 3.33Å; E10-S12 PolarHBondContact O-N 3.18Å; S12-R15 PolarHBondContact O-N 3.21Å; S12-A16 WeakPolarHBondContact O-CB 3.35Å; S12-A16 PolarHBondContact O-N 3.45Å |
| 13 | F | 91.2 | Very high | 89.7 | Confident | 113 Ų | 113 | 104.6 Ų | 104.6 | 50% | 0.496 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.1 | -44.7 | 175.7 | -178.7 | -102.8 | 0 | 0 | 0 | 111.3 | V9 E10 E11 R15 A16 M17 | V9-F13 WeakPolarHBondContact O-CB 3.4Å; V9-F13 PolarHBondContact O-N 3.49Å; E10-F13 WeakPolarHBondContact O-CB 3.49Å; E10-F13 PolarHBondContact O-N 2.88Å; E10-F13 VanDerWaalsContact O-N 3.16Å; E11-F13 VanDerWaalsContact C-N 3.31Å; E11-F13 PolarHBondContact O-N 3.03Å; F13-R15 VanDerWaalsContact C-N 3.34Å; F13-R15 PolarHBondContact O-N 3.48Å; F13-A16 PolarHBondContact O-N 3.11Å; F13-M17 HydrophobicContact CD1-CG 4.3Å; F13-M17 HydrophobicContact CE1-CG 3.89Å; F13-M17 HydrophobicContact CE2-CG 4.35Å; F13-M17 HydrophobicContact CZ-CG 3.92Å; F13-M17 HydrophobicContact CZ-SD 4.3Å; F13-M17 WeakPolarHBondContact O-CB 3.09Å; F13-M17 WeakPolarHBondContact O-CG 3.44Å; F13-M17 PolarHBondContact O-N 3.01Å |
| 14 | Q | 92.3 | Very high | 90.6 | Very high | 105 Ų | 105 | 102.6 Ų | 102.6 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.4 | -39.6 | 175.7 | -67 | -57.8 | -26.1 | 0 | 0 | 112.2 | E10 E11 M17 G18 | E10-Q14 WeakPolarHBondContact O-CG 3.17Å; E10-Q14 PolarHBondContact O-N 3.11Å; E10-Q14 PolarHBondContact OE1-NE2 3.4Å; E11-Q14 PolarHBondContact O-N 3.32Å; Q14-M17 PolarHBondContact O-N 3.43Å; Q14-G18 PolarHBondContact O-N 3.2Å |
| 15 | R | 92.3 | Very high | 91.5 | Very high | 172 Ų | 172 | 105.1 Ų | 105.1 | 65% | 0.649 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.6 | -46.5 | 173.2 | -72.2 | 174.1 | -168 | -175.3 | 7.2 | 111.8 | E11 S12 F13 M17 G18 L19 | E11-R15 VanDerWaalsContact O-CG 3.3Å; E11-R15 WeakPolarHBondContact O-CG 3.3Å; E11-R15 PolarHBondContact O-N 2.94Å; E11-R15 IonicContact OE2-NH2 3.95Å; S12-R15 PolarHBondContact O-N 3.21Å; F13-R15 VanDerWaalsContact C-N 3.34Å; F13-R15 PolarHBondContact O-N 3.48Å; R15-M17 VanDerWaalsContact C-N 3.33Å; R15-M17 PolarHBondContact O-N 2.97Å; R15-G18 PolarHBondContact O-N 3.27Å; R15-L19 WeakPolarHBondContact O-CG 3.48Å; R15-L19 PolarHBondContact O-N 3.42Å |
| 16 | A | 94.4 | Very high | 92.3 | Very high | 56 Ų | 56 | 107 Ų | 107 | 46% | 0.463 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.6 | -41.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S12 F13 L19 K20 | S12-A16 WeakPolarHBondContact O-CB 3.35Å; S12-A16 PolarHBondContact O-N 3.45Å; F13-A16 PolarHBondContact O-N 3.11Å; A16-L19 PolarHBondContact O-N 2.8Å; A16-K20 PolarHBondContact O-N 3Å |
| 17 | M | 95.5 | Very high | 93.1 | Very high | 65 Ų | 65 | 108.8 Ų | 108.8 | 32% | 0.32 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.3 | -39.4 | 174.5 | -78.1 | -63 | -62.6 | 0 | 0 | 112.6 | F13 Q14 R15 K20 K21 | F13-M17 HydrophobicContact CD1-CG 4.3Å; F13-M17 HydrophobicContact CE1-CG 3.89Å; F13-M17 HydrophobicContact CE2-CG 4.35Å; F13-M17 HydrophobicContact CZ-CG 3.92Å; F13-M17 HydrophobicContact CZ-SD 4.3Å; F13-M17 WeakPolarHBondContact O-CB 3.09Å; F13-M17 WeakPolarHBondContact O-CG 3.44Å; F13-M17 PolarHBondContact O-N 3.01Å; Q14-M17 PolarHBondContact O-N 3.43Å; R15-M17 VanDerWaalsContact C-N 3.33Å; R15-M17 PolarHBondContact O-N 2.97Å; M17-K20 PolarHBondContact O-N 3.49Å; M17-K21 WeakPolarHBondContact O-CG 3.5Å; M17-K21 PolarHBondContact O-N 3.14Å; M17-K21 VanDerWaalsContact O-N 3.07Å |
| 18 | G | 94.9 | Very high | 93.7 | Very high | 38 Ų | 38 | 110.8 Ų | 110.8 | 39% | 0.392 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61 | -45.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q14 R15 K21 M22 | Q14-G18 PolarHBondContact O-N 3.2Å; R15-G18 PolarHBondContact O-N 3.27Å; G18-K21 PolarHBondContact O-N 2.95Å; G18-M22 PolarHBondContact O-N 3.37Å |
| 19 | L | 95 | Very high | 94.2 | Very high | 111 Ų | 111 | 108 Ų | 108 | 58% | 0.581 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.3 | -44.1 | 176.4 | -69.6 | 172 | 0 | 0 | 0 | 111.9 | R15 A16 K21 M22 V23 | R15-L19 WeakPolarHBondContact O-CG 3.48Å; R15-L19 PolarHBondContact O-N 3.42Å; A16-L19 PolarHBondContact O-N 2.8Å; L19-K21 PolarHBondContact O-N 3.38Å; L19-M22 WeakPolarHBondContact O-CB 3.36Å; L19-M22 PolarHBondContact O-N 3Å; L19-M22 VanDerWaalsContact O-N 3.11Å; L19-V23 WeakPolarHBondContact O-CG2 3.49Å; L19-V23 PolarHBondContact O-N 3.36Å |
| 20 | K | 96.3 | Very high | 94.6 | Very high | 128 Ų | 128 | 107.9 Ų | 107.9 | 56% | 0.557 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -57.4 | -47.9 | 176 | -175 | 179.9 | 178.3 | -177.5 | 0 | 111.8 | A16 M17 M22 V23 D24 | A16-K20 PolarHBondContact O-N 3Å; M17-K20 PolarHBondContact O-N 3.49Å; K20-M22 VanDerWaalsContact C-N 3.26Å; K20-M22 PolarHBondContact O-N 3.5Å; K20-V23 PolarHBondContact O-N 3.47Å; K20-D24 PolarHBondContact O-N 2.87Å |
| 21 | K | 96.5 | Very high | 95 | Very high | 122 Ų | 122 | 105.9 Ų | 105.9 | 53% | 0.53 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.6 | -37.3 | 176.3 | -72.7 | 174.3 | -178.9 | 176.4 | 0 | 112.2 | M17 G18 L19 R25 | M17-K21 WeakPolarHBondContact O-CG 3.5Å; M17-K21 PolarHBondContact O-N 3.14Å; M17-K21 VanDerWaalsContact O-N 3.07Å; G18-K21 PolarHBondContact O-N 2.95Å; L19-K21 PolarHBondContact O-N 3.38Å; K21-R25 WeakPolarHBondContact O-CB 3.26Å; K21-R25 VanDerWaalsContact O-CG 3.26Å; K21-R25 WeakPolarHBondContact O-CG 3.3Å; K21-R25 PolarHBondContact O-N 3.45Å |
| 22 | M | 96 | Very high | 95.2 | Very high | 130 Ų | 130 | 106.1 Ų | 106.1 | 64% | 0.64 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.5 | -43.9 | 177.1 | -170.5 | -178.8 | -70.1 | 0 | 0 | 111.5 | G18 L19 K20 R25 W26 | G18-M22 PolarHBondContact O-N 3.37Å; L19-M22 WeakPolarHBondContact O-CB 3.36Å; L19-M22 PolarHBondContact O-N 3Å; L19-M22 VanDerWaalsContact O-N 3.11Å; K20-M22 VanDerWaalsContact C-N 3.26Å; K20-M22 PolarHBondContact O-N 3.5Å; M22-R25 PolarHBondContact O-N 3.46Å; M22-W26 WeakPolarHBondContact O-CB 3.3Å; M22-W26 PolarHBondContact O-N 2.94Å |
| 23 | V | 96.6 | Very high | 95.4 | Very high | 88 Ų | 88 | 105.8 Ų | 105.8 | 53% | 0.533 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 175.3 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | L19 K20 R25 W26 R27 | L19-V23 WeakPolarHBondContact O-CG2 3.49Å; L19-V23 PolarHBondContact O-N 3.36Å; K20-V23 PolarHBondContact O-N 3.47Å; V23-R25 PolarHBondContact O-N 2.88Å; V23-W26 PolarHBondContact O-N 3.26Å; V23-R27 WeakPolarHBondContact O-CB 3.41Å; V23-R27 PolarHBondContact O-N 3.31Å |
| 24 | D | 97.1 | Very high | 95.6 | Very high | 71 Ų | 71 | 104.5 Ų | 104.5 | 38% | 0.38 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 178.6 | -69.6 | -28.8 | 0 | 0 | 0 | 111.6 | K20 R27 N28 | K20-D24 PolarHBondContact O-N 2.87Å; D24-R27 PolarHBondContact O-N 2.87Å; D24-N28 WeakPolarHBondContact O-CB 3.36Å; D24-N28 VanDerWaalsContact O-CG 3.25Å; D24-N28 PolarHBondContact O-N 2.95Å; D24-N28 PolarHBondContact O-ND2 3.03Å |
| 25 | R | 96.7 | Very high | 95.7 | Very high | 188 Ų | 188 | 107.6 Ų | 107.6 | 71% | 0.709 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.5 | -45.2 | 174.2 | -74.9 | 173.6 | -177.3 | -173.2 | 0.5 | 112 | K21 M22 V23 R27 N28 S29 | K21-R25 WeakPolarHBondContact O-CB 3.26Å; K21-R25 VanDerWaalsContact O-CG 3.26Å; K21-R25 WeakPolarHBondContact O-CG 3.3Å; K21-R25 PolarHBondContact O-N 3.45Å; M22-R25 PolarHBondContact O-N 3.46Å; V23-R25 PolarHBondContact O-N 2.88Å; R25-R27 VanDerWaalsContact C-N 3.34Å; R25-N28 PolarHBondContact O-N 3.11Å; R25-S29 WeakPolarHBondContact O-CB 3.37Å; R25-S29 PolarHBondContact O-N 3.36Å |
| 26 | W | 96.8 | Very high | 95.6 | Very high | 168 Ų | 168 | 104.9 Ų | 104.9 | 64% | 0.636 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.9 | -45.3 | 177.2 | 176.7 | 85.2 | 0 | 0 | 0 | 111.1 | M22 V23 N28 S29 H30 | M22-W26 WeakPolarHBondContact O-CB 3.3Å; M22-W26 PolarHBondContact O-N 2.94Å; V23-W26 PolarHBondContact O-N 3.26Å; W26-N28 VanDerWaalsContact C-N 3.35Å; W26-N28 PolarHBondContact O-N 3.41Å; W26-S29 PolarHBondContact O-N 3.44Å; W26-H30 WeakPolarHBondContact O-CB 3.37Å; W26-H30 PolarHBondContact O-N 3.37Å |
| 27 | R | 96.9 | Very high | 95.4 | Very high | 161 Ų | 161 | 107.4 Ų | 107.4 | 61% | 0.608 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.9 | -41.7 | 178.8 | -170.9 | 179 | -176.6 | -168.8 | 1.3 | 112.3 | V23 D24 R25 H30 T31 | V23-R27 WeakPolarHBondContact O-CB 3.41Å; V23-R27 PolarHBondContact O-N 3.31Å; D24-R27 PolarHBondContact O-N 2.87Å; R25-R27 VanDerWaalsContact C-N 3.34Å; R27-H30 PolarHBondContact O-N 3.21Å; R27-T31 WeakPolarHBondContact O-CB 3.4Å; R27-T31 PolarHBondContact O-N 3.09Å; R27-T31 PolarHBondContact O-OG1 3.37Å |
| 28 | N | 96.8 | Very high | 95 | Very high | 113 Ų | 113 | 107 Ų | 107 | 60% | 0.604 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.2 | -44.8 | 176.9 | -71.5 | -13.2 | 0 | 0 | 0 | 111.6 | D24 R25 W26 T31 H32 | D24-N28 WeakPolarHBondContact O-CB 3.36Å; D24-N28 VanDerWaalsContact O-CG 3.25Å; D24-N28 PolarHBondContact O-N 2.95Å; D24-N28 PolarHBondContact O-ND2 3.03Å; R25-N28 PolarHBondContact O-N 3.11Å; W26-N28 VanDerWaalsContact C-N 3.35Å; W26-N28 PolarHBondContact O-N 3.41Å; N28-T31 PolarHBondContact O-N 3.2Å; N28-H32 WeakPolarHBondContact O-CB 3.43Å; N28-H32 PolarHBondContact O-N 3.46Å |
| 29 | S | 96.3 | Very high | 94.6 | Very high | 80 Ų | 80 | 110.2 Ų | 110.2 | 56% | 0.559 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.2 | -44.9 | 176.1 | -176.5 | 0 | 0 | 0 | 0 | 111.8 | R25 W26 T31 H32 C33 | R25-S29 WeakPolarHBondContact O-CB 3.37Å; R25-S29 PolarHBondContact O-N 3.36Å; W26-S29 PolarHBondContact O-N 3.44Å; S29-T31 PolarHBondContact O-N 3.47Å; S29-H32 PolarHBondContact O-N 3Å; S29-C33 WeakPolarHBondContact O-CB 3.36Å; S29-C33 PolarHBondContact O-N 3.29Å |
| 30 | H | 96.4 | Very high | 94 | Very high | 87 Ų | 87 | 106.9 Ų | 106.9 | 40% | 0.403 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 177.3 | -178.7 | 67.5 | 0 | 0 | 0 | 111.6 | W26 R27 C33 L34 | W26-H30 WeakPolarHBondContact O-CB 3.37Å; W26-H30 PolarHBondContact O-N 3.37Å; R27-H30 PolarHBondContact O-N 3.21Å; H30-C33 PolarHBondContact O-N 3.02Å; H30-L34 WeakPolarHBondContact O-CG 3.43Å; H30-L34 PolarHBondContact O-N 3.48Å |
| 31 | T | 96.3 | Very high | 93.3 | Very high | 56 Ų | 56 | 107.4 Ų | 107.4 | 34% | 0.344 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.9 | -52.6 | 175.7 | -56.3 | 0 | 0 | 0 | 0 | 110 | R27 N28 S29 C33 L34 W35 | R27-T31 WeakPolarHBondContact O-CB 3.4Å; R27-T31 PolarHBondContact O-N 3.09Å; R27-T31 PolarHBondContact O-OG1 3.37Å; N28-T31 PolarHBondContact O-N 3.2Å; S29-T31 PolarHBondContact O-N 3.47Å; T31-C33 VanDerWaalsContact C-N 3.29Å; T31-C33 PolarHBondContact O-N 3.04Å; T31-L34 WeakPolarHBondContact O-CB 3.43Å; T31-L34 PolarHBondContact O-N 3.43Å; T31-L34 VanDerWaalsContact O-N 3.08Å; T31-W35 PolarHBondContact O-N 2.92Å |
| 32 | H | 95.1 | Very high | 92.3 | Very high | 110 Ų | 110 | 109.5 Ų | 109.5 | 51% | 0.509 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -56.4 | -41.7 | 179.4 | -179.7 | -99.3 | 0 | 0 | 0 | 112.9 | N28 S29 W35 Q36 | N28-H32 WeakPolarHBondContact O-CB 3.43Å; N28-H32 PolarHBondContact O-N 3.46Å; S29-H32 PolarHBondContact O-N 3Å; H32-W35 PolarHBondContact O-N 3.4Å; H32-Q36 VanDerWaalsContact CE1-CD 3.41Å; H32-Q36 PolarHBondContact CE1-NE2 3.13Å; H32-Q36 WeakPolarHBondContact O-CG 3.34Å; H32-Q36 PolarHBondContact O-N 3.33Å |
| 33 | C | 94.4 | Very high | 91.4 | Very high | 59 Ų | 59 | 113 Ų | 113 | 40% | 0.399 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.6 | -47.7 | 174.7 | -173.7 | 0 | 0 | 0 | 0 | 111.9 | S29 H30 T31 W35 Q36 M37 | S29-C33 WeakPolarHBondContact O-CB 3.36Å; S29-C33 PolarHBondContact O-N 3.29Å; H30-C33 PolarHBondContact O-N 3.02Å; T31-C33 VanDerWaalsContact C-N 3.29Å; T31-C33 PolarHBondContact O-N 3.04Å; C33-W35 VanDerWaalsContact C-N 3.32Å; C33-W35 PolarHBondContact O-N 2.89Å; C33-Q36 PolarHBondContact O-N 2.97Å; C33-M37 WeakPolarHBondContact O-CG 3.42Å; C33-M37 PolarHBondContact O-N 3Å |
| 34 | L | 95.2 | Very high | 90.5 | Very high | 86 Ų | 86 | 114 Ų | 114 | 45% | 0.45 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.1 | -40.7 | 176.6 | -69.5 | 174.7 | 0 | 0 | 0 | 112.4 | H30 T31 M37 T38 | H30-L34 WeakPolarHBondContact O-CG 3.43Å; H30-L34 PolarHBondContact O-N 3.48Å; T31-L34 WeakPolarHBondContact O-CB 3.43Å; T31-L34 PolarHBondContact O-N 3.43Å; T31-L34 VanDerWaalsContact O-N 3.08Å; L34-M37 PolarHBondContact O-N 3.18Å; L34-T38 WeakPolarHBondContact O-CB 3.38Å; L34-T38 PolarHBondContact O-N 3.49Å; L34-T38 PolarHBondContact O-OG1 3.16Å |
| 35 | W | 94.1 | Very high | 89.8 | Confident | 171 Ų | 171 | 114 Ų | 114 | 65% | 0.648 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.1 | -45.9 | 175.2 | -83.1 | 88.2 | 0 | 0 | 0 | 111.6 | T31 H32 C33 T38 L39 | T31-W35 PolarHBondContact O-N 2.92Å; H32-W35 PolarHBondContact O-N 3.4Å; C33-W35 VanDerWaalsContact C-N 3.32Å; C33-W35 PolarHBondContact O-N 2.89Å; W35-T38 PolarHBondContact O-N 3.38Å; W35-L39 WeakPolarHBondContact O-CB 3.47Å; W35-L39 VanDerWaalsContact O-CG 3.28Å; W35-L39 WeakPolarHBondContact O-CG 3.49Å; W35-L39 PolarHBondContact O-N 2.96Å |
| 36 | Q | 90.2 | Very high | 89.1 | Confident | 115 Ų | 115 | 112.7 Ų | 112.7 | 54% | 0.537 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | 177.1 | -73.9 | -170.2 | -21.5 | 0 | 0 | 112.4 | H32 C33 L39 G40 | H32-Q36 VanDerWaalsContact CE1-CD 3.41Å; H32-Q36 PolarHBondContact CE1-NE2 3.13Å; H32-Q36 WeakPolarHBondContact O-CG 3.34Å; H32-Q36 PolarHBondContact O-N 3.33Å; C33-Q36 PolarHBondContact O-N 2.97Å; Q36-L39 PolarHBondContact O-N 3.46Å; Q36-G40 PolarHBondContact O-N 3.46Å |
| 37 | M | 89.9 | Confident | 88.5 | Confident | 108 Ų | 108 | 106.9 Ų | 106.9 | 53% | 0.532 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61 | -46.3 | 176.7 | -71.3 | -176.4 | 71.9 | 0 | 0 | 111.5 | C33 L34 L39 G40 Q41 | C33-M37 WeakPolarHBondContact O-CG 3.42Å; C33-M37 PolarHBondContact O-N 3Å; L34-M37 PolarHBondContact O-N 3.18Å; M37-L39 VanDerWaalsContact C-N 3.35Å; M37-L39 PolarHBondContact O-N 3.41Å; M37-G40 PolarHBondContact O-N 3.43Å; M37-Q41 WeakPolarHBondContact O-CB 3.4Å; M37-Q41 WeakPolarHBondContact O-CG 3.45Å; M37-Q41 PolarHBondContact O-N 3Å |
| 38 | T | 88.6 | Confident | 88 | Confident | 56 Ų | 56 | 102 Ų | 102 | 34% | 0.344 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 179.1 | -54.5 | 0 | 0 | 0 | 0 | 111.4 | L34 W35 Q41 R42 | L34-T38 WeakPolarHBondContact O-CB 3.38Å; L34-T38 PolarHBondContact O-N 3.49Å; L34-T38 PolarHBondContact O-OG1 3.16Å; W35-T38 PolarHBondContact O-N 3.38Å; T38-Q41 PolarHBondContact O-N 2.94Å; T38-R42 WeakPolarHBondContact O-CG 3.44Å; T38-R42 PolarHBondContact O-N 3.39Å |
| 39 | L | 85.9 | Confident | 87.5 | Confident | 106 Ų | 106 | 100.8 Ų | 100.8 | 56% | 0.555 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.3 | -42.8 | 175.3 | -74.2 | 171.9 | 0 | 0 | 0 | 111.7 | W35 Q36 M37 R42 R43 | W35-L39 WeakPolarHBondContact O-CB 3.47Å; W35-L39 VanDerWaalsContact O-CG 3.28Å; W35-L39 WeakPolarHBondContact O-CG 3.49Å; W35-L39 PolarHBondContact O-N 2.96Å; Q36-L39 PolarHBondContact O-N 3.46Å; M37-L39 VanDerWaalsContact C-N 3.35Å; M37-L39 PolarHBondContact O-N 3.41Å; L39-R42 PolarHBondContact O-N 2.9Å; L39-R43 WeakPolarHBondContact O-CB 3.46Å; L39-R43 PolarHBondContact O-N 3.4Å |
| 40 | G | 82.7 | Confident | 87.1 | Confident | 42 Ų | 42 | 105.9 Ų | 105.9 | 43% | 0.433 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q36 M37 R42 R43 N44 | Q36-G40 PolarHBondContact O-N 3.46Å; M37-G40 PolarHBondContact O-N 3.43Å; G40-R42 VanDerWaalsContact C-N 3.31Å; G40-R42 PolarHBondContact O-N 3.43Å; G40-R43 PolarHBondContact O-N 3.01Å; G40-N44 WeakPolarHBondContact O-CB 3.35Å; G40-N44 PolarHBondContact O-N 3.16Å; G40-N44 VanDerWaalsContact O-N 3.12Å |
| 41 | Q | 80 | Confident | 86.8 | Confident | 138 Ų | 138 | 108.1 Ų | 108.1 | 65% | 0.645 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.3 | -36.2 | 176.2 | -75.5 | 179.3 | -11.1 | 0 | 0 | 112.9 | M37 T38 P45 | M37-Q41 WeakPolarHBondContact O-CB 3.4Å; M37-Q41 WeakPolarHBondContact O-CG 3.45Å; M37-Q41 PolarHBondContact O-N 3Å; T38-Q41 PolarHBondContact O-N 2.94Å; Q41-P45 WeakPolarHBondContact O-CD 3.47Å; Q41-P45 WeakPolarHBondContact O-CG 3.45Å |
| 42 | R | 76.8 | Confident | 86.6 | Confident | 167 Ų | 167 | 110.6 Ų | 110.6 | 63% | 0.63 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -78.3 | -37.7 | 176.6 | -71.4 | 178.3 | -177.6 | -169.5 | 1.4 | 112.7 | T38 L39 G40 P45 Y46 | T38-R42 WeakPolarHBondContact O-CG 3.44Å; T38-R42 PolarHBondContact O-N 3.39Å; L39-R42 PolarHBondContact O-N 2.9Å; G40-R42 VanDerWaalsContact C-N 3.31Å; G40-R42 PolarHBondContact O-N 3.43Å; R42-P45 VanDerWaalsContact O-CD 3.27Å; R42-P45 WeakPolarHBondContact O-CD 3.44Å; R42-P45 VanDerWaalsContact O-CG 3.32Å; R42-P45 WeakPolarHBondContact O-CG 3.41Å; R42-Y46 WeakPolarHBondContact O-CD2 3.39Å |
| 43 | R | 77.3 | Confident | 86.5 | Confident | 204 Ų | 204 | 109.6 Ų | 109.6 | 77% | 0.77 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -71 | -33.3 | -176 | -166.7 | 174.3 | -178.8 | -177.3 | -0.1 | 112.2 | L39 G40 A47 | L39-R43 WeakPolarHBondContact O-CB 3.46Å; L39-R43 PolarHBondContact O-N 3.4Å; G40-R43 PolarHBondContact O-N 3.01Å; R43-A47 VanDerWaalsContact O-CB 3.23Å; R43-A47 WeakPolarHBondContact O-CB 3.34Å; R43-A47 PolarHBondContact O-N 3.43Å |
| 44 | N | 77.3 | Confident | 86.5 | Confident | 107 Ų | 107 | 110.5 Ų | 110.5 | 57% | 0.572 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.3 | -56.4 | 179 | -166.4 | 0.1 | 0 | 0 | 0 | 113.5 | G40 Y46 A47 T48 | G40-N44 WeakPolarHBondContact O-CB 3.35Å; G40-N44 PolarHBondContact O-N 3.16Å; G40-N44 VanDerWaalsContact O-N 3.12Å; N44-Y46 PolarHBondContact O-N 3.41Å; N44-A47 PolarHBondContact O-N 3.48Å; N44-T48 PolarHBondContact O-N 3.16Å; N44-T48 PolarHBondContact O-OG1 3.34Å; N44-T48 VanDerWaalsContact O-OG1 3.07Å |
| 45 | P | 82 | Confident | 86.6 | Confident | 72 Ų | 72 | 112.1 Ų | 112.1 | 47% | 0.468 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.8 | -39 | -177.8 | 24.7 | -34.8 | 0 | 0 | 0 | 113 | Q41 R42 A47 T48 L49 | Q41-P45 WeakPolarHBondContact O-CD 3.47Å; Q41-P45 WeakPolarHBondContact O-CG 3.45Å; R42-P45 VanDerWaalsContact O-CD 3.27Å; R42-P45 WeakPolarHBondContact O-CD 3.44Å; R42-P45 VanDerWaalsContact O-CG 3.32Å; R42-P45 WeakPolarHBondContact O-CG 3.41Å; P45-A47 VanDerWaalsContact C-N 3.35Å; P45-T48 PolarHBondContact O-N 3.37Å; P45-L49 WeakPolarHBondContact O-CB 3.15Å; P45-L49 PolarHBondContact O-N 2.94Å |
| 46 | Y | 82.3 | Confident | 86.7 | Confident | 161 Ų | 161 | 108.6 Ų | 108.6 | 63% | 0.631 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -68.8 | -33.9 | 176.7 | -72.1 | -62 | 0 | 0 | 0 | 112.6 | R42 N44 R50 | R42-Y46 WeakPolarHBondContact O-CD2 3.39Å; N44-Y46 PolarHBondContact O-N 3.41Å; Y46-R50 WeakPolarHBondContact O-CB 3.25Å; Y46-R50 WeakPolarHBondContact O-CG 3.42Å; Y46-R50 PolarHBondContact O-N 2.98Å |
| 47 | A | 84.3 | Confident | 87 | Confident | 45 Ų | 45 | 109.2 Ų | 109.2 | 37% | 0.372 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.8 | -44.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | R43 N44 P45 R50 M51 | R43-A47 VanDerWaalsContact O-CB 3.23Å; R43-A47 WeakPolarHBondContact O-CB 3.34Å; R43-A47 PolarHBondContact O-N 3.43Å; N44-A47 PolarHBondContact O-N 3.48Å; P45-A47 VanDerWaalsContact C-N 3.35Å; A47-R50 PolarHBondContact O-N 2.88Å; A47-M51 WeakPolarHBondContact O-CB 3.4Å; A47-M51 WeakPolarHBondContact O-CG 3.37Å; A47-M51 PolarHBondContact O-N 2.92Å |
| 48 | T | 86.1 | Confident | 87.3 | Confident | 59 Ų | 59 | 110 Ų | 110 | 36% | 0.362 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 175.2 | -53.3 | 0 | 0 | 0 | 0 | 111.8 | N44 P45 M51 Q52 | N44-T48 PolarHBondContact O-N 3.16Å; N44-T48 PolarHBondContact O-OG1 3.34Å; N44-T48 VanDerWaalsContact O-OG1 3.07Å; P45-T48 PolarHBondContact O-N 3.37Å; T48-M51 PolarHBondContact O-N 3.01Å; T48-Q52 WeakPolarHBondContact O-CG 3.41Å; T48-Q52 PolarHBondContact O-N 3.2Å |
| 49 | L | 87.2 | Confident | 87.8 | Confident | 87 Ų | 87 | 112.5 Ų | 112.5 | 46% | 0.455 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.8 | -46.9 | 178.8 | -175.5 | 65.7 | 0 | 0 | 0 | 111.4 | P45 M51 Q52 D53 | P45-L49 WeakPolarHBondContact O-CB 3.15Å; P45-L49 PolarHBondContact O-N 2.94Å; L49-M51 VanDerWaalsContact C-N 3.31Å; L49-M51 PolarHBondContact O-N 3.21Å; L49-Q52 WeakPolarHBondContact O-CB 3.27Å; L49-Q52 PolarHBondContact O-N 3.41Å; L49-Q52 VanDerWaalsContact O-N 3.16Å; L49-D53 PolarHBondContact O-N 2.94Å |
| 50 | R | 87.4 | Confident | 88.3 | Confident | 187 Ų | 187 | 110.1 Ų | 110.1 | 71% | 0.706 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -59.8 | -41.8 | 175.3 | -76.9 | -177.9 | 178.7 | -142.5 | 0.6 | 112.2 | Y46 A47 Q52 D53 T54 | Y46-R50 WeakPolarHBondContact O-CB 3.25Å; Y46-R50 WeakPolarHBondContact O-CG 3.42Å; Y46-R50 PolarHBondContact O-N 2.98Å; A47-R50 PolarHBondContact O-N 2.88Å; R50-Q52 VanDerWaalsContact C-N 3.34Å; R50-D53 PolarHBondContact O-N 3.39Å; R50-T54 WeakPolarHBondContact O-CG2 3.46Å; R50-T54 PolarHBondContact O-N 3.45Å; R50-T54 PolarHBondContact O-OG1 2.86Å |
| 51 | M | 90.1 | Very high | 89.1 | Confident | 135 Ų | 135 | 112.7 Ų | 112.7 | 67% | 0.665 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.3 | -41.5 | 176 | -77.8 | -179.2 | 163.6 | 0 | 0 | 111.8 | A47 T48 L49 T54 M55 | A47-M51 WeakPolarHBondContact O-CB 3.4Å; A47-M51 WeakPolarHBondContact O-CG 3.37Å; A47-M51 PolarHBondContact O-N 2.92Å; T48-M51 PolarHBondContact O-N 3.01Å; L49-M51 VanDerWaalsContact C-N 3.31Å; L49-M51 PolarHBondContact O-N 3.21Å; M51-T54 WeakPolarHBondContact CA-OG1 3.36Å; M51-T54 PolarHBondContact O-N 2.74Å; M51-T54 PolarHBondContact O-OG1 3.38Å; M51-M55 WeakPolarHBondContact O-CB 3.32Å; M51-M55 PolarHBondContact O-N 3.07Å |
| 52 | Q | 92.3 | Very high | 89.9 | Confident | 108 Ų | 108 | 108.4 Ų | 108.4 | 51% | 0.505 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.8 | -46 | 175.5 | -72.9 | 174.6 | -1.8 | 0 | 0 | 111.6 | T48 L49 R50 T54 M55 V56 | T48-Q52 WeakPolarHBondContact O-CG 3.41Å; T48-Q52 PolarHBondContact O-N 3.2Å; L49-Q52 WeakPolarHBondContact O-CB 3.27Å; L49-Q52 PolarHBondContact O-N 3.41Å; L49-Q52 VanDerWaalsContact O-N 3.16Å; R50-Q52 VanDerWaalsContact C-N 3.34Å; Q52-T54 VanDerWaalsContact C-N 3.34Å; Q52-T54 PolarHBondContact O-N 3.21Å; Q52-M55 WeakPolarHBondContact O-CB 3.32Å; Q52-M55 PolarHBondContact O-N 2.95Å; Q52-M55 VanDerWaalsContact O-N 3.16Å; Q52-V56 WeakPolarHBondContact O-CG2 2.88Å; Q52-V56 PolarHBondContact O-N 3.02Å |
| 53 | D | 93.1 | Very high | 90.9 | Very high | 89 Ų | 89 | 107.1 Ų | 107.1 | 48% | 0.476 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.8 | -45.3 | 177.6 | -69.4 | -27.6 | 0 | 0 | 0 | 111.5 | L49 R50 M55 V56 Q57 | L49-D53 PolarHBondContact O-N 2.94Å; R50-D53 PolarHBondContact O-N 3.39Å; D53-M55 VanDerWaalsContact C-N 3.33Å; D53-M55 PolarHBondContact O-N 2.79Å; D53-V56 PolarHBondContact O-N 2.95Å; D53-Q57 WeakPolarHBondContact O-CG 3.4Å; D53-Q57 PolarHBondContact O-N 3.25Å; D53-Q57 VanDerWaalsContact O-N 3.16Å |
| 54 | T | 94.4 | Very high | 91.9 | Very high | 77 Ų | 77 | 103.4 Ų | 103.4 | 47% | 0.472 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 175.7 | 53.3 | 0 | 0 | 0 | 0 | 111.8 | R50 M51 Q52 V56 Q57 E58 | R50-T54 WeakPolarHBondContact O-CG2 3.46Å; R50-T54 PolarHBondContact O-N 3.45Å; R50-T54 PolarHBondContact O-OG1 2.86Å; M51-T54 WeakPolarHBondContact CA-OG1 3.36Å; M51-T54 PolarHBondContact O-N 2.74Å; M51-T54 PolarHBondContact O-OG1 3.38Å; Q52-T54 VanDerWaalsContact C-N 3.34Å; Q52-T54 PolarHBondContact O-N 3.21Å; T54-V56 VanDerWaalsContact C-N 3.33Å; T54-V56 PolarHBondContact O-N 3.47Å; T54-Q57 PolarHBondContact O-N 2.9Å; T54-E58 WeakPolarHBondContact O-CG 3.35Å; T54-E58 PolarHBondContact O-N 3.39Å |
| 55 | M | 95.8 | Very high | 92.8 | Very high | 120 Ų | 120 | 104.6 Ų | 104.6 | 59% | 0.591 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.2 | -40.2 | 179 | -176 | 179 | 176.4 | 0 | 0 | 111.6 | M51 Q52 D53 Q57 E58 L59 | M51-M55 WeakPolarHBondContact O-CB 3.32Å; M51-M55 PolarHBondContact O-N 3.07Å; Q52-M55 WeakPolarHBondContact O-CB 3.32Å; Q52-M55 PolarHBondContact O-N 2.95Å; Q52-M55 VanDerWaalsContact O-N 3.16Å; D53-M55 VanDerWaalsContact C-N 3.33Å; D53-M55 PolarHBondContact O-N 2.79Å; M55-Q57 VanDerWaalsContact C-N 3.33Å; M55-Q57 PolarHBondContact O-N 3.34Å; M55-E58 PolarHBondContact O-N 3.3Å; M55-L59 HydrophobicContact CE-CD1 4.23Å; M55-L59 HydrophobicContact CG-CD1 4.18Å; M55-L59 HydrophobicContact CG-CG 4.49Å; M55-L59 WeakPolarHBondContact O-CB 3.43Å; M55-L59 VanDerWaalsContact O-CG 3.25Å; M55-L59 WeakPolarHBondContact O-CG 3.34Å; M55-L59 PolarHBondContact O-N 3.01Å |
| 56 | V | 96.7 | Very high | 93.6 | Very high | 97 Ų | 97 | 106.9 Ų | 106.9 | 59% | 0.588 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.8 | -41.2 | 176.4 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | Q52 D53 T54 L59 A60 | Q52-V56 WeakPolarHBondContact O-CG2 2.88Å; Q52-V56 PolarHBondContact O-N 3.02Å; D53-V56 PolarHBondContact O-N 2.95Å; T54-V56 VanDerWaalsContact C-N 3.33Å; T54-V56 PolarHBondContact O-N 3.47Å; V56-L59 PolarHBondContact O-N 3.46Å; V56-A60 WeakPolarHBondContact O-CB 3.35Å; V56-A60 PolarHBondContact O-N 3.25Å |
| 57 | Q | 96.3 | Very high | 94.4 | Very high | 128 Ų | 128 | 103.3 Ų | 103.3 | 60% | 0.598 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.2 | -47.1 | 176.9 | -69.1 | 176.5 | -0.4 | 0 | 0 | 111.7 | D53 T54 M55 L59 A60 L61 | D53-Q57 WeakPolarHBondContact O-CG 3.4Å; D53-Q57 PolarHBondContact O-N 3.25Å; D53-Q57 VanDerWaalsContact O-N 3.16Å; T54-Q57 PolarHBondContact O-N 2.9Å; M55-Q57 VanDerWaalsContact C-N 3.33Å; M55-Q57 PolarHBondContact O-N 3.34Å; Q57-L59 VanDerWaalsContact C-N 3.34Å; Q57-L59 PolarHBondContact O-N 2.82Å; Q57-A60 WeakPolarHBondContact O-CB 3.22Å; Q57-A60 PolarHBondContact O-N 2.97Å; Q57-L61 WeakPolarHBondContact O-CG 3.49Å; Q57-L61 PolarHBondContact O-N 3.37Å |
| 58 | E | 97.1 | Very high | 95 | Very high | 126 Ų | 126 | 106.1 Ų | 106.1 | 59% | 0.589 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.2 | -42.9 | 177.1 | -69.4 | -59.4 | 151.2 | 0 | 0 | 111.7 | T54 M55 A60 L61 A62 | T54-E58 WeakPolarHBondContact O-CG 3.35Å; T54-E58 PolarHBondContact O-N 3.39Å; M55-E58 PolarHBondContact O-N 3.3Å; E58-A60 VanDerWaalsContact C-N 3.34Å; E58-A60 PolarHBondContact O-N 3.38Å; E58-L61 PolarHBondContact O-N 2.93Å; E58-A62 WeakPolarHBondContact O-CB 3.42Å; E58-A62 PolarHBondContact O-N 3.38Å |
| 59 | L | 97.9 | Very high | 95.6 | Very high | 107 Ų | 107 | 108.1 Ų | 108.1 | 56% | 0.56 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -63.6 | -38.3 | 176.1 | -73 | 173.8 | 0 | 0 | 0 | 112.5 | M55 V56 Q57 A62 K63 | M55-L59 HydrophobicContact CE-CD1 4.23Å; M55-L59 HydrophobicContact CG-CD1 4.18Å; M55-L59 HydrophobicContact CG-CG 4.49Å; M55-L59 WeakPolarHBondContact O-CB 3.43Å; M55-L59 VanDerWaalsContact O-CG 3.25Å; M55-L59 WeakPolarHBondContact O-CG 3.34Å; M55-L59 PolarHBondContact O-N 3.01Å; V56-L59 PolarHBondContact O-N 3.46Å; Q57-L59 VanDerWaalsContact C-N 3.34Å; Q57-L59 PolarHBondContact O-N 2.82Å; L59-A62 PolarHBondContact O-N 3.12Å; L59-K63 WeakPolarHBondContact O-CB 3.37Å; L59-K63 PolarHBondContact O-N 3.3Å |
| 60 | A | 97.9 | Very high | 96.1 | Very high | 57 Ų | 57 | 112.7 Ų | 112.7 | 47% | 0.471 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.4 | -41.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V56 Q57 E58 K63 K64 | V56-A60 WeakPolarHBondContact O-CB 3.35Å; V56-A60 PolarHBondContact O-N 3.25Å; Q57-A60 WeakPolarHBondContact O-CB 3.22Å; Q57-A60 PolarHBondContact O-N 2.97Å; E58-A60 VanDerWaalsContact C-N 3.34Å; E58-A60 PolarHBondContact O-N 3.38Å; A60-K63 PolarHBondContact O-N 2.97Å; A60-K64 PolarHBondContact O-N 3.45Å |
| 61 | L | 98.1 | Very high | 96.6 | Very high | 95 Ų | 95 | 109.3 Ų | 109.3 | 50% | 0.497 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.5 | -46.2 | 175.3 | -68.1 | 175.5 | 0 | 0 | 0 | 111.6 | Q57 E58 K63 K64 Q65 | Q57-L61 WeakPolarHBondContact O-CG 3.49Å; Q57-L61 PolarHBondContact O-N 3.37Å; E58-L61 PolarHBondContact O-N 2.93Å; L61-K63 VanDerWaalsContact C-N 3.32Å; L61-K63 PolarHBondContact O-N 2.92Å; L61-K64 WeakPolarHBondContact O-CB 3.47Å; L61-K64 PolarHBondContact O-N 3.2Å; L61-K64 VanDerWaalsContact O-N 3.13Å; L61-Q65 WeakPolarHBondContact O-CG 3.28Å; L61-Q65 PolarHBondContact O-N 3.4Å |
| 62 | A | 97.6 | Very high | 97 | Very high | 49 Ų | 49 | 105.4 Ų | 105.4 | 41% | 0.405 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.6 | -42.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E58 L59 K64 Q65 L66 | E58-A62 WeakPolarHBondContact O-CB 3.42Å; E58-A62 PolarHBondContact O-N 3.38Å; L59-A62 PolarHBondContact O-N 3.12Å; A62-K64 VanDerWaalsContact C-N 3.35Å; A62-K64 PolarHBondContact O-N 2.95Å; A62-Q65 PolarHBondContact O-N 3.47Å; A62-L66 WeakPolarHBondContact O-CB 3.41Å; A62-L66 PolarHBondContact O-N 3.48Å |
| 63 | K | 97.7 | Very high | 97.3 | Very high | 140 Ų | 140 | 102.4 Ų | 102.4 | 61% | 0.609 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.1 | -43.9 | 174.5 | -179.3 | 179.7 | 177.5 | -179.4 | 0 | 111.6 | L59 A60 L61 L66 L67 | L59-K63 WeakPolarHBondContact O-CB 3.37Å; L59-K63 PolarHBondContact O-N 3.3Å; A60-K63 PolarHBondContact O-N 2.97Å; L61-K63 VanDerWaalsContact C-N 3.32Å; L61-K63 PolarHBondContact O-N 2.92Å; K63-L66 PolarHBondContact O-N 3.08Å; K63-L67 HydrophobicContact CG-CD1 4.3Å; K63-L67 WeakPolarHBondContact O-CG 3.46Å; K63-L67 PolarHBondContact O-N 2.88Å |
| 64 | K | 97.8 | Very high | 97.6 | Very high | 125 Ų | 125 | 102 Ų | 102 | 54% | 0.543 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.3 | -45.8 | 177.9 | -176.1 | 178.5 | 177.8 | -179.2 | 0 | 111.2 | A60 L61 A62 L67 M68 | A60-K64 PolarHBondContact O-N 3.45Å; L61-K64 WeakPolarHBondContact O-CB 3.47Å; L61-K64 PolarHBondContact O-N 3.2Å; L61-K64 VanDerWaalsContact O-N 3.13Å; A62-K64 VanDerWaalsContact C-N 3.35Å; A62-K64 PolarHBondContact O-N 2.95Å; K64-L67 PolarHBondContact O-N 2.78Å; K64-M68 HydrophobicContact CD-CE 4.41Å; K64-M68 HydrophobicContact CG-CE 4.11Å; K64-M68 WeakPolarHBondContact O-CG 3.23Å; K64-M68 PolarHBondContact O-N 2.93Å; K64-M68 VanDerWaalsContact O-N 3.09Å |
| 65 | Q | 97.6 | Very high | 97.7 | Very high | 132 Ų | 132 | 103.8 Ų | 103.8 | 62% | 0.617 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.6 | -45.3 | 177.2 | -70.5 | 174.8 | -16 | 0 | 0 | 111.7 | L61 A62 L67 M68 V69 | L61-Q65 WeakPolarHBondContact O-CG 3.28Å; L61-Q65 PolarHBondContact O-N 3.4Å; A62-Q65 PolarHBondContact O-N 3.47Å; Q65-L67 VanDerWaalsContact C-N 3.31Å; Q65-L67 PolarHBondContact O-N 3.27Å; Q65-M68 PolarHBondContact O-N 3.3Å; Q65-V69 WeakPolarHBondContact O-CG2 3.4Å; Q65-V69 PolarHBondContact O-N 3.49Å |
| 66 | L | 98.1 | Very high | 97.8 | Very high | 120 Ų | 120 | 103.6 Ų | 103.6 | 63% | 0.628 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -59.2 | -42.4 | 177.4 | -178.9 | 64.3 | 0 | 0 | 0 | 112 | A62 K63 V69 R70 | A62-L66 WeakPolarHBondContact O-CB 3.41Å; A62-L66 PolarHBondContact O-N 3.48Å; K63-L66 PolarHBondContact O-N 3.08Å; L66-V69 PolarHBondContact O-N 3.46Å; L66-R70 WeakPolarHBondContact O-CB 3.4Å; L66-R70 PolarHBondContact O-N 3.05Å |
| 67 | L | 98.4 | Very high | 97.9 | Very high | 86 Ų | 86 | 103.9 Ų | 103.9 | 45% | 0.45 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 176.8 | -74.5 | 173 | 0 | 0 | 0 | 111.9 | K63 K64 Q65 R70 Q71 | K63-L67 HydrophobicContact CG-CD1 4.3Å; K63-L67 WeakPolarHBondContact O-CG 3.46Å; K63-L67 PolarHBondContact O-N 2.88Å; K64-L67 PolarHBondContact O-N 2.78Å; Q65-L67 VanDerWaalsContact C-N 3.31Å; Q65-L67 PolarHBondContact O-N 3.27Å; L67-R70 PolarHBondContact O-N 3.33Å; L67-Q71 WeakPolarHBondContact O-CB 3.45Å; L67-Q71 VanDerWaalsContact O-CG 3.3Å; L67-Q71 WeakPolarHBondContact O-CG 3.39Å; L67-Q71 PolarHBondContact O-N 2.9Å |
| 68 | M | 98.1 | Very high | 98 | Very high | 104 Ų | 104 | 103.1 Ų | 103.1 | 51% | 0.512 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.8 | -46 | 176.7 | -72.1 | 175.9 | 170.5 | 0 | 0 | 111.7 | K64 Q65 R70 Q71 A72 | K64-M68 HydrophobicContact CD-CE 4.41Å; K64-M68 HydrophobicContact CG-CE 4.11Å; K64-M68 WeakPolarHBondContact O-CG 3.23Å; K64-M68 PolarHBondContact O-N 2.93Å; K64-M68 VanDerWaalsContact O-N 3.09Å; Q65-M68 PolarHBondContact O-N 3.3Å; M68-R70 VanDerWaalsContact C-N 3.34Å; M68-R70 PolarHBondContact O-N 2.92Å; M68-Q71 PolarHBondContact O-N 2.99Å; M68-A72 WeakPolarHBondContact O-CB 3.44Å; M68-A72 PolarHBondContact O-N 3.28Å |
| 69 | V | 98.2 | Very high | 98 | Very high | 102 Ų | 102 | 102.7 Ų | 102.7 | 62% | 0.618 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.3 | -43.6 | 177.6 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | Q65 L66 A72 A73 | Q65-V69 WeakPolarHBondContact O-CG2 3.4Å; Q65-V69 PolarHBondContact O-N 3.49Å; L66-V69 PolarHBondContact O-N 3.46Å; V69-A72 PolarHBondContact O-N 3.39Å; V69-A73 WeakPolarHBondContact O-CB 3.45Å; V69-A73 PolarHBondContact O-N 2.97Å |
| 70 | R | 98.2 | Very high | 97.9 | Very high | 182 Ų | 182 | 104 Ų | 104 | 69% | 0.687 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.9 | -42 | 178.8 | -173.5 | 173.9 | -177.8 | 170.9 | 0.9 | 112.2 | L66 L67 M68 A73 L74 | L66-R70 WeakPolarHBondContact O-CB 3.4Å; L66-R70 PolarHBondContact O-N 3.05Å; L67-R70 PolarHBondContact O-N 3.33Å; M68-R70 VanDerWaalsContact C-N 3.34Å; M68-R70 PolarHBondContact O-N 2.92Å; R70-A73 PolarHBondContact O-N 3.43Å; R70-L74 VanDerWaalsContact O-CB 3.3Å; R70-L74 WeakPolarHBondContact O-CB 3.42Å; R70-L74 PolarHBondContact O-N 3.26Å |
| 71 | Q | 98.2 | Very high | 97.9 | Very high | 117 Ų | 117 | 105.4 Ų | 105.4 | 55% | 0.547 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.1 | -47.1 | 175.9 | -76.5 | 174.4 | -19.8 | 0 | 0 | 110.8 | L67 M68 A73 L74 H75 | L67-Q71 WeakPolarHBondContact O-CB 3.45Å; L67-Q71 VanDerWaalsContact O-CG 3.3Å; L67-Q71 WeakPolarHBondContact O-CG 3.39Å; L67-Q71 PolarHBondContact O-N 2.9Å; M68-Q71 PolarHBondContact O-N 2.99Å; Q71-A73 PolarHBondContact O-N 3.36Å; Q71-L74 PolarHBondContact O-N 2.87Å; Q71-H75 PolarHBondContact O-CD2 3.18Å; Q71-H75 PolarHBondContact O-N 2.98Å |
| 72 | A | 98.2 | Very high | 97.8 | Very high | 52 Ų | 52 | 105.1 Ų | 105.1 | 43% | 0.43 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.1 | -44.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | M68 V69 L74 H75 Q76 | M68-A72 WeakPolarHBondContact O-CB 3.44Å; M68-A72 PolarHBondContact O-N 3.28Å; V69-A72 PolarHBondContact O-N 3.39Å; A72-L74 VanDerWaalsContact C-N 3.32Å; A72-L74 PolarHBondContact O-N 2.84Å; A72-H75 PolarHBondContact O-N 3.4Å; A72-Q76 WeakPolarHBondContact O-CG 3.49Å; A72-Q76 PolarHBondContact O-N 3.32Å |
| 73 | A | 98.2 | Very high | 97.7 | Very high | 45 Ų | 45 | 108.2 Ų | 108.2 | 37% | 0.372 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V69 R70 Q71 Q76 L77 | V69-A73 WeakPolarHBondContact O-CB 3.45Å; V69-A73 PolarHBondContact O-N 2.97Å; R70-A73 PolarHBondContact O-N 3.43Å; Q71-A73 PolarHBondContact O-N 3.36Å; A73-Q76 PolarHBondContact O-N 2.94Å; A73-L77 WeakPolarHBondContact O-CG 3.33Å; A73-L77 PolarHBondContact O-N 2.95Å; A73-L77 VanDerWaalsContact O-N 3.11Å |
| 74 | L | 98.4 | Very high | 97.6 | Very high | 81 Ų | 81 | 106.4 Ų | 106.4 | 42% | 0.424 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.5 | -41.9 | 177.3 | -177.9 | 133.1 | 0 | 0 | 0 | 112 | R70 Q71 A72 Q76 L77 F78 | R70-L74 VanDerWaalsContact O-CB 3.3Å; R70-L74 WeakPolarHBondContact O-CB 3.42Å; R70-L74 PolarHBondContact O-N 3.26Å; Q71-L74 PolarHBondContact O-N 2.87Å; A72-L74 VanDerWaalsContact C-N 3.32Å; A72-L74 PolarHBondContact O-N 2.84Å; L74-Q76 VanDerWaalsContact C-N 3.33Å; L74-Q76 PolarHBondContact O-N 2.94Å; L74-L77 PolarHBondContact O-N 3.07Å; L74-F78 HydrophobicContact CD2-CD2 3.71Å; L74-F78 HydrophobicContact CD2-CE2 3.37Å; L74-F78 HydrophobicContact CD2-CZ 4.16Å; L74-F78 HydrophobicContact CG-CD2 4.26Å; L74-F78 HydrophobicContact CG-CE2 3.94Å; L74-F78 HydrophobicContact CG-CZ 4.31Å; L74-F78 PolarHBondContact O-N 3.43Å |
| 75 | H | 98.1 | Very high | 97.6 | Very high | 114 Ų | 114 | 106.1 Ų | 106.1 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.3 | -44.8 | 172.9 | -82.5 | -68.6 | 0 | 0 | 0 | 111.7 | Q71 A72 L77 F78 E79 | Q71-H75 PolarHBondContact O-CD2 3.18Å; Q71-H75 PolarHBondContact O-N 2.98Å; A72-H75 PolarHBondContact O-N 3.4Å; H75-L77 VanDerWaalsContact C-N 3.3Å; H75-L77 PolarHBondContact O-N 3.02Å; H75-F78 PolarHBondContact O-N 3.38Å; H75-E79 WeakPolarHBondContact O-CG 3.49Å; H75-E79 PolarHBondContact O-N 2.91Å |
| 76 | Q | 98 | Very high | 97.4 | Very high | 116 Ų | 116 | 103.9 Ų | 103.9 | 54% | 0.542 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.2 | -36 | 177 | -73.2 | 179.9 | -7.1 | 0 | 0 | 113.2 | A72 A73 L74 K80 | A72-Q76 WeakPolarHBondContact O-CG 3.49Å; A72-Q76 PolarHBondContact O-N 3.32Å; A73-Q76 PolarHBondContact O-N 2.94Å; L74-Q76 VanDerWaalsContact C-N 3.33Å; L74-Q76 PolarHBondContact O-N 2.94Å; Q76-K80 WeakPolarHBondContact O-CG 3.47Å; Q76-K80 PolarHBondContact O-N 2.89Å |
| 77 | L | 98.2 | Very high | 97.3 | Very high | 103 Ų | 103 | 104.1 Ų | 104.1 | 54% | 0.539 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.8 | -47.3 | 175.5 | -72.5 | 171 | 0 | 0 | 0 | 110.8 | A73 L74 H75 E79 K80 E81 | A73-L77 WeakPolarHBondContact O-CG 3.33Å; A73-L77 PolarHBondContact O-N 2.95Å; A73-L77 VanDerWaalsContact O-N 3.11Å; L74-L77 PolarHBondContact O-N 3.07Å; H75-L77 VanDerWaalsContact C-N 3.3Å; H75-L77 PolarHBondContact O-N 3.02Å; L77-E79 VanDerWaalsContact C-N 3.33Å; L77-E79 PolarHBondContact O-N 3.06Å; L77-K80 PolarHBondContact O-N 3.43Å; L77-E81 WeakPolarHBondContact O-CG 3.26Å; L77-E81 PolarHBondContact O-N 2.92Å |
| 78 | F | 97.6 | Very high | 97.2 | Very high | 113 Ų | 113 | 103.9 Ų | 103.9 | 50% | 0.496 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.2 | -35.6 | 177.7 | -72.8 | -25 | 0 | 0 | 0 | 113.4 | L74 H75 K80 E81 H82 | L74-F78 HydrophobicContact CD2-CD2 3.71Å; L74-F78 HydrophobicContact CD2-CE2 3.37Å; L74-F78 HydrophobicContact CD2-CZ 4.16Å; L74-F78 HydrophobicContact CG-CD2 4.26Å; L74-F78 HydrophobicContact CG-CE2 3.94Å; L74-F78 HydrophobicContact CG-CZ 4.31Å; L74-F78 PolarHBondContact O-N 3.43Å; H75-F78 PolarHBondContact O-N 3.38Å; F78-K80 VanDerWaalsContact C-N 3.33Å; F78-K80 PolarHBondContact O-N 3.45Å; F78-E81 PolarHBondContact O-N 3.21Å; F78-H82 WeakPolarHBondContact O-CB 3.42Å; F78-H82 PolarHBondContact O-N 3.11Å |
| 79 | E | 96.9 | Very high | 97.1 | Very high | 116 Ų | 116 | 100.9 Ų | 100.9 | 54% | 0.542 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 174.2 | -76.8 | 173.1 | -177.2 | 0 | 0 | 111.7 | H75 L77 H82 Q83 | H75-E79 WeakPolarHBondContact O-CG 3.49Å; H75-E79 PolarHBondContact O-N 2.91Å; L77-E79 VanDerWaalsContact C-N 3.33Å; L77-E79 PolarHBondContact O-N 3.06Å; E79-H82 PolarHBondContact O-N 3.35Å; E79-Q83 VanDerWaalsContact O-CG 3.26Å; E79-Q83 WeakPolarHBondContact O-CG 3.42Å; E79-Q83 PolarHBondContact O-N 3.43Å |
| 80 | K | 97.6 | Very high | 96.9 | Very high | 135 Ų | 135 | 100.6 Ų | 100.6 | 59% | 0.587 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65 | -46.9 | 176.8 | -70.8 | 173.4 | -177.6 | 179.4 | 0 | 111.7 | Q76 L77 F78 H82 Q83 Q84 | Q76-K80 WeakPolarHBondContact O-CG 3.47Å; Q76-K80 PolarHBondContact O-N 2.89Å; L77-K80 PolarHBondContact O-N 3.43Å; F78-K80 VanDerWaalsContact C-N 3.33Å; F78-K80 PolarHBondContact O-N 3.45Å; K80-H82 VanDerWaalsContact C-N 3.34Å; K80-H82 PolarHBondContact O-N 2.98Å; K80-Q83 PolarHBondContact O-N 3.24Å; K80-Q84 PolarHBondContact O-N 3.16Å |
| 81 | E | 97.3 | Very high | 96.7 | Very high | 86 Ų | 86 | 99.7 Ų | 99.7 | 40% | 0.402 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 177 | -72.5 | 178 | 177.5 | 0 | 0 | 111.2 | L77 F78 Q83 Q84 Y85 | L77-E81 WeakPolarHBondContact O-CG 3.26Å; L77-E81 PolarHBondContact O-N 2.92Å; F78-E81 PolarHBondContact O-N 3.21Å; E81-Q83 PolarHBondContact O-N 3.45Å; E81-Q84 WeakPolarHBondContact O-CB 3.48Å; E81-Q84 PolarHBondContact O-N 2.95Å; E81-Y85 HydrophobicContact CB-CD2 4.4Å; E81-Y85 HydrophobicContact CB-CE2 4.16Å; E81-Y85 WeakPolarHBondContact O-CD2 3.38Å; E81-Y85 PolarHBondContact O-N 2.7Å |
| 82 | H | 95.6 | Very high | 96.5 | Very high | 90 Ų | 90 | 100.4 Ų | 100.4 | 42% | 0.417 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.9 | -45 | 177.9 | -173.6 | 72.2 | 0 | 0 | 0 | 111.7 | F78 E79 K80 Q84 Y85 Q86 F96 | F78-H82 WeakPolarHBondContact O-CB 3.42Å; F78-H82 PolarHBondContact O-N 3.11Å; E79-H82 PolarHBondContact O-N 3.35Å; K80-H82 VanDerWaalsContact C-N 3.34Å; K80-H82 PolarHBondContact O-N 2.98Å; H82-Q84 VanDerWaalsContact C-N 3.34Å; H82-Q84 PolarHBondContact O-N 2.77Å; H82-Y85 PolarHBondContact O-N 2.88Å; H82-Q86 VanDerWaalsContact O-CB 3.3Å; H82-Q86 WeakPolarHBondContact O-CB 3.4Å; H82-Q86 PolarHBondContact O-N 3.4Å; H82-F96 AromaticContact CE1-CD2 3.52Å; H82-F96 AromaticContact CE1-CE2 3.55Å; H82-F96 AromaticContact ND1-CE2 3.7Å; H82-F96 AromaticContact ND1-CZ 3.97Å |
| 83 | Q | 95.2 | Very high | 96.3 | Very high | 114 Ų | 114 | 101.4 Ų | 101.4 | 53% | 0.533 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61 | -43.7 | 175.6 | -73.8 | 172.6 | 8.5 | 0 | 0 | 111.8 | E79 K80 E81 Q86 Q87 | E79-Q83 VanDerWaalsContact O-CG 3.26Å; E79-Q83 WeakPolarHBondContact O-CG 3.42Å; E79-Q83 PolarHBondContact O-N 3.43Å; K80-Q83 PolarHBondContact O-N 3.24Å; E81-Q83 PolarHBondContact O-N 3.45Å; Q83-Q86 PolarHBondContact O-N 3.44Å; Q83-Q87 WeakPolarHBondContact O-CG 3.41Å; Q83-Q87 PolarHBondContact O-N 3.24Å; Q83-Q87 VanDerWaalsContact O-N 3.11Å |
| 84 | Q | 96.5 | Very high | 96.1 | Very high | 102 Ų | 102 | 105 Ų | 105 | 48% | 0.477 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.1 | -52.6 | 176.7 | -178.9 | -177.9 | -21.7 | 0 | 0 | 111 | K80 E81 H82 Q86 Q87 E88 | K80-Q84 PolarHBondContact O-N 3.16Å; E81-Q84 WeakPolarHBondContact O-CB 3.48Å; E81-Q84 PolarHBondContact O-N 2.95Å; H82-Q84 VanDerWaalsContact C-N 3.34Å; H82-Q84 PolarHBondContact O-N 2.77Å; Q84-Q86 VanDerWaalsContact C-N 3.27Å; Q84-Q86 PolarHBondContact O-N 3.48Å; Q84-Q87 WeakPolarHBondContact O-CB 3.46Å; Q84-Q87 PolarHBondContact O-N 3.41Å; Q84-Q87 VanDerWaalsContact O-N 3.11Å; Q84-E88 WeakPolarHBondContact CG-OE1 3.34Å; Q84-E88 PolarHBondContact NE2-OE1 3.38Å; Q84-E88 PolarHBondContact O-N 3.49Å |
| 85 | Y | 96.3 | Very high | 95.8 | Very high | 118 Ų | 118 | 104.9 Ų | 104.9 | 46% | 0.463 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.3 | -34.4 | -179.9 | -70.5 | -50.2 | 0 | 0 | 0 | 112.8 | E81 H82 Q87 E88 L89 | E81-Y85 HydrophobicContact CB-CD2 4.4Å; E81-Y85 HydrophobicContact CB-CE2 4.16Å; E81-Y85 WeakPolarHBondContact O-CD2 3.38Å; E81-Y85 PolarHBondContact O-N 2.7Å; H82-Y85 PolarHBondContact O-N 2.88Å; Y85-Q87 VanDerWaalsContact C-N 3.31Å; Y85-Q87 PolarHBondContact O-N 2.97Å; Y85-E88 PolarHBondContact O-N 3.04Å; Y85-L89 WeakPolarHBondContact O-CB 3.45Å; Y85-L89 VanDerWaalsContact O-CG 3.26Å; Y85-L89 WeakPolarHBondContact O-CG 3.46Å; Y85-L89 PolarHBondContact O-N 3.01Å |
| 86 | Q | 95.1 | Very high | 95.6 | Very high | 86 Ų | 86 | 103.5 Ų | 103.5 | 40% | 0.402 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.6 | -39.1 | 176.1 | -169.9 | 166.5 | 9.6 | 0 | 0 | 111.4 | H82 Q83 Q84 N90 F96 | H82-Q86 VanDerWaalsContact O-CB 3.3Å; H82-Q86 WeakPolarHBondContact O-CB 3.4Å; H82-Q86 PolarHBondContact O-N 3.4Å; Q83-Q86 PolarHBondContact O-N 3.44Å; Q84-Q86 VanDerWaalsContact C-N 3.27Å; Q84-Q86 PolarHBondContact O-N 3.48Å; Q86-N90 WeakPolarHBondContact O-CB 3.45Å; Q86-N90 PolarHBondContact O-N 3.27Å; Q86-N90 PolarHBondContact O-ND2 2.91Å; Q86-F96 HydrophobicContact CB-CD2 4.27Å; Q86-F96 HydrophobicContact CB-CE2 3.98Å; Q86-F96 HydrophobicContact CG-CD2 4.46Å |
| 87 | Q | 95 | Very high | 95.2 | Very high | 124 Ų | 124 | 107 Ų | 107 | 58% | 0.579 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.6 | -45.4 | 174 | -68.8 | 173.6 | 9.9 | 0 | 0 | 111.6 | Q83 Q84 Y85 N90 Q91 | Q83-Q87 WeakPolarHBondContact O-CG 3.41Å; Q83-Q87 PolarHBondContact O-N 3.24Å; Q83-Q87 VanDerWaalsContact O-N 3.11Å; Q84-Q87 WeakPolarHBondContact O-CB 3.46Å; Q84-Q87 PolarHBondContact O-N 3.41Å; Q84-Q87 VanDerWaalsContact O-N 3.11Å; Y85-Q87 VanDerWaalsContact C-N 3.31Å; Y85-Q87 PolarHBondContact O-N 2.97Å; Q87-N90 PolarHBondContact O-N 3.31Å; Q87-Q91 WeakPolarHBondContact O-CG 3.49Å; Q87-Q91 PolarHBondContact O-N 3.38Å |
| 88 | E | 96.3 | Very high | 94.7 | Very high | 82 Ų | 82 | 108.4 Ų | 108.4 | 38% | 0.383 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 177.6 | -69.3 | 174.6 | -169.3 | 0 | 0 | 111.8 | Q84 Y85 Q91 M92 | Q84-E88 WeakPolarHBondContact CG-OE1 3.34Å; Q84-E88 PolarHBondContact NE2-OE1 3.38Å; Q84-E88 PolarHBondContact O-N 3.49Å; Y85-E88 PolarHBondContact O-N 3.04Å; E88-Q91 WeakPolarHBondContact O-CB 3.28Å; E88-Q91 PolarHBondContact O-N 3.22Å; E88-M92 PolarHBondContact O-N 3.4Å |
| 89 | L | 95.7 | Very high | 94.4 | Very high | 41 Ų | 41 | 108.6 Ų | 108.6 | 22% | 0.215 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -63 | -44.1 | 176.4 | -74.1 | 172.6 | 0 | 0 | 0 | 111.7 | Y85 Q91 M92 G93 K94 F96 | Y85-L89 WeakPolarHBondContact O-CB 3.45Å; Y85-L89 VanDerWaalsContact O-CG 3.26Å; Y85-L89 WeakPolarHBondContact O-CG 3.46Å; Y85-L89 PolarHBondContact O-N 3.01Å; L89-Q91 VanDerWaalsContact C-N 3.28Å; L89-Q91 PolarHBondContact O-N 3.42Å; L89-M92 CarbonylContact O-C 3.07Å; L89-M92 WeakPolarHBondContact O-CA 3.3Å; L89-M92 WeakPolarHBondContact O-CB 3.42Å; L89-M92 PolarHBondContact O-N 2.96Å; L89-G93 PolarHBondContact O-N 3.05Å; L89-G93 VanDerWaalsContact O-N 3.12Å; L89-K94 CarbonylContact C-O 3.43Å; L89-K94 HydrophobicContact CB-CB 4.36Å; L89-K94 WeakPolarHBondContact CB-O 3.46Å; L89-K94 HydrophobicContact CD2-CB 3.93Å; L89-K94 CarbonylContact O-C 3.6Å; L89-K94 PolarHBondContact O-N 2.91Å; L89-F96 HydrophobicContact CD1-CD1 3.92Å; L89-F96 HydrophobicContact CD1-CD2 3.81Å; L89-F96 HydrophobicContact CD1-CE1 3.82Å; L89-F96 HydrophobicContact CD1-CE2 3.71Å; L89-F96 HydrophobicContact CD1-CG 3.92Å; L89-F96 HydrophobicContact CD1-CZ 3.72Å |
| 90 | N | 93.6 | Very high | 93.9 | Very high | 95 Ų | 95 | 114.4 Ų | 114.4 | 51% | 0.508 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61 | -37.6 | 178.3 | -72.8 | -19.6 | 0 | 0 | 0 | 111.8 | Q86 Q87 M92 G93 K94 | Q86-N90 WeakPolarHBondContact O-CB 3.45Å; Q86-N90 PolarHBondContact O-N 3.27Å; Q86-N90 PolarHBondContact O-ND2 2.91Å; Q87-N90 PolarHBondContact O-N 3.31Å; N90-M92 PolarHBondContact O-N 3.11Å; N90-G93 PolarHBondContact O-N 3.29Å; N90-K94 PolarHBondContact N-O 3.2Å |
| 91 | Q | 94.6 | Very high | 92.4 | Very high | 164 Ų | 164 | 119.8 Ų | 119.8 | 77% | 0.766 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.7 | -32.3 | 173.8 | -69.7 | 171.4 | 19.1 | 0 | 0 | 112.2 | Q87 E88 L89 G93 | Q87-Q91 WeakPolarHBondContact O-CG 3.49Å; Q87-Q91 PolarHBondContact O-N 3.38Å; E88-Q91 WeakPolarHBondContact O-CB 3.28Å; E88-Q91 PolarHBondContact O-N 3.22Å; L89-Q91 VanDerWaalsContact C-N 3.28Å; L89-Q91 PolarHBondContact O-N 3.42Å; Q91-G93 VanDerWaalsContact C-N 3.28Å |
| 92 | M | 95.1 | Very high | 92.2 | Very high | 132 Ų | 132 | 121.5 Ų | 121.5 | 65% | 0.65 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | 0.9 | 174.3 | -61.4 | -175.3 | 73.1 | 0 | 0 | 113.6 | E88 L89 N90 K94 | E88-M92 PolarHBondContact O-N 3.4Å; L89-M92 CarbonylContact O-C 3.07Å; L89-M92 WeakPolarHBondContact O-CA 3.3Å; L89-M92 WeakPolarHBondContact O-CB 3.42Å; L89-M92 PolarHBondContact O-N 2.96Å; N90-M92 PolarHBondContact O-N 3.11Å; M92-K94 HydrophobicContact CB-CG 4.39Å; M92-K94 PolarHBondContact O-N 3.04Å |
| 93 | G | 92.8 | Very high | 92 | Very high | 73 Ų | 73 | 123.1 Ų | 123.1 | 75% | 0.753 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.3 | 19.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | L89 N90 Q91 | L89-G93 PolarHBondContact O-N 3.05Å; L89-G93 VanDerWaalsContact O-N 3.12Å; N90-G93 PolarHBondContact O-N 3.29Å; Q91-G93 VanDerWaalsContact C-N 3.28Å |
| 94 | K | 94.7 | Very high | 91.8 | Very high | 121 Ų | 121 | 123.6 Ų | 123.6 | 53% | 0.526 | 59% | 0.594 | S | S | . | * | trans | -107.4 | 163.6 | 177.4 | -64.4 | -178.5 | -178.6 | 179.2 | 0 | 110.1 | L89 N90 M92 | L89-K94 CarbonylContact C-O 3.43Å; L89-K94 HydrophobicContact CB-CB 4.36Å; L89-K94 WeakPolarHBondContact CB-O 3.46Å; L89-K94 HydrophobicContact CD2-CB 3.93Å; L89-K94 CarbonylContact O-C 3.6Å; L89-K94 PolarHBondContact O-N 2.91Å; N90-K94 PolarHBondContact N-O 3.2Å; M92-K94 HydrophobicContact CB-CG 4.39Å; M92-K94 PolarHBondContact O-N 3.04Å | ||
| 95 | A | 92.7 | Very high | 91.5 | Very high | 78 Ų | 78 | 124.9 Ų | 124.9 | 65% | 0.645 | 60% | 0.601 | S | S | * | * | trans | -142.3 | 161.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 96 | F | 92.6 | Very high | 91.2 | Very high | 84 Ų | 84 | 125.3 Ų | 125.3 | 37% | 0.368 | 61% | 0.609 | S | S | . | * | trans | -64.3 | 140.9 | 171.7 | -76.4 | -69.9 | 0 | 0 | 0 | 111.1 | H82 Q86 L89 | H82-F96 AromaticContact CE1-CD2 3.52Å; H82-F96 AromaticContact CE1-CE2 3.55Å; H82-F96 AromaticContact ND1-CE2 3.7Å; H82-F96 AromaticContact ND1-CZ 3.97Å; Q86-F96 HydrophobicContact CB-CD2 4.27Å; Q86-F96 HydrophobicContact CB-CE2 3.98Å; Q86-F96 HydrophobicContact CG-CD2 4.46Å; L89-F96 HydrophobicContact CD1-CD1 3.92Å; L89-F96 HydrophobicContact CD1-CD2 3.81Å; L89-F96 HydrophobicContact CD1-CE1 3.82Å; L89-F96 HydrophobicContact CD1-CE2 3.71Å; L89-F96 HydrophobicContact CD1-CG 3.92Å; L89-F96 HydrophobicContact CD1-CZ 3.72Å | ||
| 97 | Y | 90.5 | Very high | 91 | Very high | 191 Ų | 191 | 127.9 Ų | 127.9 | 75% | 0.749 | 62% | 0.623 | S | S | * | * | trans | -72.8 | 133.4 | 170.9 | -179.5 | -110.2 | 0 | 0 | 0 | 109.9 | E99 | Y97-E99 HydrophobicContact CD1-CG 4.16Å; Y97-E99 HydrophobicContact CE1-CB 4.46Å; Y97-E99 HydrophobicContact CE1-CG 3.26Å | ||
| 98 | I | 88.3 | Confident | 90.7 | Very high | 131 Ų | 131 | 128.2 Ų | 128.2 | 67% | 0.672 | 63% | 0.626 | S | S | * | * | trans | -128.9 | 111.9 | 177.6 | -58.2 | 173.7 | 0 | 0 | 0 | 106.9 | R100 | I98-R100 PolarHBondContact O-N 3.41Š| ||
| 99 | E | 89.9 | Confident | 90.3 | Very high | 117 Ų | 117 | 131.8 Ų | 131.8 | 55% | 0.547 | 65% | 0.645 | S | S | . | * | trans | -66.2 | 120.5 | 170.3 | -69.8 | -175.7 | 165.3 | 0 | 0 | 109 | Y97 F101 | Y97-E99 HydrophobicContact CD1-CG 4.16Å; Y97-E99 HydrophobicContact CE1-CB 4.46Å; Y97-E99 HydrophobicContact CE1-CG 3.26Å; E99-F101 HydrophobicContact CB-CD2 4.3Å; E99-F101 HydrophobicContact CB-CE2 3.77Å; E99-F101 HydrophobicContact CB-CZ 4.27Å; E99-F101 WeakPolarHBondContact OE2-CE2 3.34Å; E99-F101 VanDerWaalsContact OE2-CZ 3.26Å; E99-F101 WeakPolarHBondContact OE2-CZ 3.41Å | ||
| 100 | R | 86 | Confident | 89.8 | Confident | 238 Ų | 238 | 139.3 Ų | 139.3 | 90% | 0.898 | 68% | 0.681 | S | S | * | * | trans | -97.5 | 106.9 | 169.9 | -65.3 | -173.7 | -179.1 | -170.2 | 0.3 | 107.3 | I98 | I98-R100 PolarHBondContact O-N 3.41Š| ||
| 101 | F | 66.9 | Low | 89.5 | Confident | 248 Ų | 248 | 143.4 Ų | 143.4 | 100% | 1.088 | 70% | 0.697 | S | S | * | * | trans | -87.3 | 0 | 167.8 | -67 | -77.6 | 0 | 0 | 0 | 110.2 | E99 | E99-F101 HydrophobicContact CB-CD2 4.3Å; E99-F101 HydrophobicContact CB-CE2 3.77Å; E99-F101 HydrophobicContact CB-CZ 4.27Å; E99-F101 WeakPolarHBondContact OE2-CE2 3.34Å; E99-F101 VanDerWaalsContact OE2-CZ 3.26Å; E99-F101 WeakPolarHBondContact OE2-CZ 3.41Å |
Retrieved 101 of 101 residues in 371.1 ms
(Link to these results)