| 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 | 67.7 | Low | 88.6 | Confident | 186 Ų | 186 | 110.9 Ų | 110.9 | 92% | 0.916 | 60% | 0.596 | S | S | * | * | 0 | -80.3 | 0 | -63.4 | -89.9 | -102.7 | 0 | 0 | 111.9 | K3 E4 A5 | M1-K3 PolarHBondContact O-N 3.45Å; M1-E4 VanDerWaalsContact CA-OE2 3.27Å; M1-E4 WeakPolarHBondContact CA-OE2 3.35Å; M1-E4 PolarHBondContact N-OE2 3.38Å; M1-E4 PolarHBondContact O-N 3.39Å; M1-A5 PolarHBondContact O-N 2.8Å | |||
| 2 | A | 83.6 | Confident | 88.9 | Confident | 83 Ų | 83 | 110 Ų | 110 | 69% | 0.686 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -59.7 | -47.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | E4 A5 E6 | A2-E4 VanDerWaalsContact C-N 3.33Å; A2-E4 PolarHBondContact O-N 2.86Å; A2-A5 PolarHBondContact O-N 3.28Å; A2-E6 PolarHBondContact O-N 3.42Å |
| 3 | K | 87.5 | Confident | 89.3 | Confident | 178 Ų | 178 | 115.6 Ų | 115.6 | 77% | 0.774 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -62.5 | -35 | 176.8 | -73.2 | -171.3 | 175.6 | -176.5 | 0 | 113.8 | M1 E6 D7 | M1-K3 PolarHBondContact O-N 3.45Å; K3-E6 PolarHBondContact O-N 3.2Å; K3-D7 WeakPolarHBondContact O-CB 3.35Å; K3-D7 PolarHBondContact O-N 2.93Å |
| 4 | E | 91 | Very high | 89.5 | Confident | 132 Ų | 132 | 113.6 Ų | 113.6 | 62% | 0.617 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -71.8 | -38.1 | 178.9 | -67.3 | 159.4 | 155.9 | 0 | 0 | 111.1 | M1 A2 E6 L8 | M1-E4 VanDerWaalsContact CA-OE2 3.27Å; M1-E4 WeakPolarHBondContact CA-OE2 3.35Å; M1-E4 PolarHBondContact N-OE2 3.38Å; M1-E4 PolarHBondContact O-N 3.39Å; A2-E4 VanDerWaalsContact C-N 3.33Å; A2-E4 PolarHBondContact O-N 2.86Å; E4-E6 VanDerWaalsContact C-N 3.35Å; E4-L8 WeakPolarHBondContact O-CB 3.49Å; E4-L8 PolarHBondContact O-N 2.87Å |
| 5 | A | 90 | Very high | 89.9 | Confident | 62 Ų | 62 | 114.7 Ų | 114.7 | 51% | 0.512 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65.6 | -39.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | M1 A2 L8 A9 | M1-A5 PolarHBondContact O-N 2.8Å; A2-A5 PolarHBondContact O-N 3.28Å; A5-L8 PolarHBondContact O-N 3.47Å; A5-A9 VanDerWaalsContact O-CB 3.3Å; A5-A9 WeakPolarHBondContact O-CB 3.42Å; A5-A9 PolarHBondContact O-N 2.94Å |
| 6 | E | 90.9 | Very high | 90.2 | Very high | 133 Ų | 133 | 115.6 Ų | 115.6 | 62% | 0.621 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.7 | -40.9 | 176.4 | -168.1 | 174.5 | -169.4 | 0 | 0 | 112.5 | A2 K3 E4 A9 S10 | A2-E6 PolarHBondContact O-N 3.42Å; K3-E6 PolarHBondContact O-N 3.2Å; E4-E6 VanDerWaalsContact C-N 3.35Å; E6-A9 PolarHBondContact O-N 3.44Å; E6-S10 WeakPolarHBondContact O-CB 3.3Å; E6-S10 PolarHBondContact O-N 3.4Å; E6-S10 PolarHBondContact O-OG 2.99Å |
| 7 | D | 92 | Very high | 90.4 | Very high | 88 Ų | 88 | 116.4 Ų | 116.4 | 47% | 0.471 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62.5 | -45.8 | 172.3 | -179.2 | 61.3 | 0 | 0 | 0 | 111.4 | K3 A9 S10 R11 | K3-D7 WeakPolarHBondContact O-CB 3.35Å; K3-D7 PolarHBondContact O-N 2.93Å; D7-A9 PolarHBondContact O-N 3.25Å; D7-S10 PolarHBondContact O-N 2.96Å; D7-R11 WeakPolarHBondContact O-CB 3.2Å; D7-R11 VanDerWaalsContact O-CG 3.26Å; D7-R11 WeakPolarHBondContact O-CG 3.48Å; D7-R11 PolarHBondContact O-N 3.35Å; D7-R11 WeakPolarHBondContact OD2-CD 3.31Å; D7-R11 IonicContact OD2-NH1 3.93Å |
| 8 | L | 93 | Very high | 90.6 | Very high | 96 Ų | 96 | 117.3 Ų | 117.3 | 50% | 0.503 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.7 | -45.1 | 177.2 | -177.5 | 64.4 | 0 | 0 | 0 | 111.8 | E4 A5 S10 R11 L12 | E4-L8 WeakPolarHBondContact O-CB 3.49Å; E4-L8 PolarHBondContact O-N 2.87Å; A5-L8 PolarHBondContact O-N 3.47Å; L8-S10 VanDerWaalsContact C-N 3.33Å; L8-S10 PolarHBondContact O-N 3.43Å; L8-R11 PolarHBondContact O-N 3.46Å; L8-L12 HydrophobicContact CG-CD1 4.19Å; L8-L12 WeakPolarHBondContact O-CB 3.43Å; L8-L12 WeakPolarHBondContact O-CG 3.48Å; L8-L12 PolarHBondContact O-N 3.43Å |
| 9 | A | 92.7 | Very high | 90.9 | Very high | 58 Ų | 58 | 115.6 Ų | 115.6 | 48% | 0.479 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.2 | -42.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A5 E6 D7 L12 R13 | A5-A9 VanDerWaalsContact O-CB 3.3Å; A5-A9 WeakPolarHBondContact O-CB 3.42Å; A5-A9 PolarHBondContact O-N 2.94Å; E6-A9 PolarHBondContact O-N 3.44Å; D7-A9 PolarHBondContact O-N 3.25Å; A9-L12 PolarHBondContact O-N 2.95Å; A9-R13 WeakPolarHBondContact O-CB 3.44Å; A9-R13 PolarHBondContact O-N 3.3Å |
| 10 | S | 92.3 | Very high | 91.1 | Very high | 65 Ų | 65 | 114.8 Ų | 114.8 | 46% | 0.455 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.6 | -43.6 | 176.2 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | E6 D7 L8 R13 C14 | E6-S10 WeakPolarHBondContact O-CB 3.3Å; E6-S10 PolarHBondContact O-N 3.4Å; E6-S10 PolarHBondContact O-OG 2.99Å; D7-S10 PolarHBondContact O-N 2.96Å; L8-S10 VanDerWaalsContact C-N 3.33Å; L8-S10 PolarHBondContact O-N 3.43Å; S10-R13 PolarHBondContact O-N 3.42Å; S10-C14 PolarHBondContact O-N 3.03Å; S10-C14 PolarHBondContact O-SG 3.32Å |
| 11 | R | 93.5 | Very high | 91.3 | Very high | 139 Ų | 139 | 112.6 Ų | 112.6 | 53% | 0.525 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.8 | -39.3 | 176.4 | -71.8 | 171.9 | 65.7 | -168.7 | 0.8 | 112.7 | D7 L8 K15 | D7-R11 WeakPolarHBondContact O-CB 3.2Å; D7-R11 VanDerWaalsContact O-CG 3.26Å; D7-R11 WeakPolarHBondContact O-CG 3.48Å; D7-R11 PolarHBondContact O-N 3.35Å; D7-R11 WeakPolarHBondContact OD2-CD 3.31Å; D7-R11 IonicContact OD2-NH1 3.93Å; L8-R11 PolarHBondContact O-N 3.46Å; R11-K15 WeakPolarHBondContact O-CG 3.46Å; R11-K15 PolarHBondContact O-N 3.44Å |
| 12 | L | 93.1 | Very high | 92.6 | Very high | 100 Ų | 100 | 107.5 Ų | 107.5 | 52% | 0.524 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.5 | -44.4 | 175.1 | -76.6 | 171.4 | 0 | 0 | 0 | 111.1 | L8 A9 C14 K15 E16 | L8-L12 HydrophobicContact CG-CD1 4.19Å; L8-L12 WeakPolarHBondContact O-CB 3.43Å; L8-L12 WeakPolarHBondContact O-CG 3.48Å; L8-L12 PolarHBondContact O-N 3.43Å; A9-L12 PolarHBondContact O-N 2.95Å; L12-C14 PolarHBondContact O-N 2.97Å; L12-K15 WeakPolarHBondContact O-CB 3.48Å; L12-K15 PolarHBondContact O-N 3.46Å; L12-K15 VanDerWaalsContact O-N 3.13Å; L12-E16 WeakPolarHBondContact O-CB 3.38Å; L12-E16 PolarHBondContact O-N 3.4Å |
| 13 | R | 94.1 | Very high | 93.2 | Very high | 183 Ų | 183 | 106.4 Ų | 106.4 | 69% | 0.691 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.1 | -42.9 | 176.3 | -163.3 | 179.5 | -164.1 | -176.5 | 4.6 | 112.4 | A9 S10 K15 E16 M17 | A9-R13 WeakPolarHBondContact O-CB 3.44Å; A9-R13 PolarHBondContact O-N 3.3Å; S10-R13 PolarHBondContact O-N 3.42Å; R13-K15 VanDerWaalsContact C-N 3.33Å; R13-K15 PolarHBondContact O-N 2.9Å; R13-E16 PolarHBondContact O-N 3.08Å; R13-M17 WeakPolarHBondContact O-CG 3.43Å; R13-M17 PolarHBondContact O-N 3.34Å |
| 14 | C | 92.1 | Very high | 93.6 | Very high | 87 Ų | 87 | 100.9 Ų | 100.9 | 59% | 0.588 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.8 | -39.8 | 173.8 | -74.7 | 0 | 0 | 0 | 0 | 112.4 | S10 L12 F18 | S10-C14 PolarHBondContact O-N 3.03Å; S10-C14 PolarHBondContact O-SG 3.32Å; L12-C14 PolarHBondContact O-N 2.97Å; C14-F18 WeakPolarHBondContact O-CB 3.37Å; C14-F18 PolarHBondContact O-N 3.09Å; C14-F18 VanDerWaalsContact O-N 3.08Å |
| 15 | K | 94.7 | Very high | 93.7 | Very high | 131 Ų | 131 | 97.7 Ų | 97.7 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.9 | -40.7 | 175.8 | -76.5 | -179.2 | 176.9 | -173.1 | 0 | 112.2 | R11 L12 R13 F18 V19 | R11-K15 WeakPolarHBondContact O-CG 3.46Å; R11-K15 PolarHBondContact O-N 3.44Å; L12-K15 WeakPolarHBondContact O-CB 3.48Å; L12-K15 PolarHBondContact O-N 3.46Å; L12-K15 VanDerWaalsContact O-N 3.13Å; R13-K15 VanDerWaalsContact C-N 3.33Å; R13-K15 PolarHBondContact O-N 2.9Å; K15-F18 WeakPolarHBondContact O-CB 3.45Å; K15-F18 PolarHBondContact O-N 2.91Å; K15-V19 WeakPolarHBondContact O-CG2 3.46Å; K15-V19 PolarHBondContact O-N 2.82Å |
| 16 | E | 95.3 | Very high | 94 | Very high | 128 Ų | 128 | 98.2 Ų | 98.2 | 60% | 0.598 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.7 | -48.8 | 176.6 | -169.5 | 173.5 | -168.5 | 0 | 0 | 110.7 | L12 R13 F18 V19 D20 | L12-E16 WeakPolarHBondContact O-CB 3.38Å; L12-E16 PolarHBondContact O-N 3.4Å; R13-E16 PolarHBondContact O-N 3.08Å; E16-F18 VanDerWaalsContact C-N 3.26Å; E16-F18 PolarHBondContact O-N 3.33Å; E16-V19 PolarHBondContact O-N 3.26Å; E16-V19 VanDerWaalsContact O-N 3.13Å; E16-D20 PolarHBondContact O-N 3.4Å |
| 17 | M | 94.1 | Very high | 94.2 | Very high | 129 Ų | 129 | 98.1 Ų | 98.1 | 64% | 0.635 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.4 | -36.7 | 173.9 | -70.5 | -178.3 | 65.9 | 0 | 0 | 113.1 | R13 S21 | R13-M17 WeakPolarHBondContact O-CG 3.43Å; R13-M17 PolarHBondContact O-N 3.34Å; M17-S21 WeakPolarHBondContact O-CB 3.36Å; M17-S21 PolarHBondContact O-N 3Å |
| 18 | F | 94.1 | Very high | 94.2 | Very high | 134 Ų | 134 | 100.7 Ų | 100.7 | 59% | 0.588 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68.9 | -41.6 | 176.5 | -178.6 | -107.4 | 0 | 0 | 0 | 112.3 | C14 K15 E16 D20 S21 I22 | C14-F18 WeakPolarHBondContact O-CB 3.37Å; C14-F18 PolarHBondContact O-N 3.09Å; C14-F18 VanDerWaalsContact O-N 3.08Å; K15-F18 WeakPolarHBondContact O-CB 3.45Å; K15-F18 PolarHBondContact O-N 2.91Å; E16-F18 VanDerWaalsContact C-N 3.26Å; E16-F18 PolarHBondContact O-N 3.33Å; F18-D20 VanDerWaalsContact C-N 3.34Å; F18-S21 WeakPolarHBondContact O-CB 3.4Å; F18-S21 PolarHBondContact O-N 3.45Å; F18-I22 HydrophobicContact CD1-CD1 3.82Å; F18-I22 HydrophobicContact CE1-CD1 3.27Å; F18-I22 HydrophobicContact CE1-CG1 4.26Å; F18-I22 HydrophobicContact CE2-CD1 4.3Å; F18-I22 HydrophobicContact CZ-CD1 3.55Å; F18-I22 HydrophobicContact CZ-CG1 4.25Å; F18-I22 WeakPolarHBondContact O-CG1 3.48Å; F18-I22 PolarHBondContact O-N 3.02Å |
| 19 | V | 95.5 | Very high | 94.2 | Very high | 84 Ų | 84 | 101.8 Ų | 101.8 | 51% | 0.509 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 175.1 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | K15 E16 S21 I22 T23 | K15-V19 WeakPolarHBondContact O-CG2 3.46Å; K15-V19 PolarHBondContact O-N 2.82Å; E16-V19 PolarHBondContact O-N 3.26Å; E16-V19 VanDerWaalsContact O-N 3.13Å; V19-S21 VanDerWaalsContact C-N 3.35Å; V19-S21 PolarHBondContact O-N 2.91Å; V19-I22 PolarHBondContact O-N 3.47Å; V19-T23 WeakPolarHBondContact O-CB 3.46Å; V19-T23 PolarHBondContact O-N 2.83Å; V19-T23 PolarHBondContact O-OG1 2.99Å |
| 20 | D | 95.8 | Very high | 94.2 | Very high | 100 Ų | 100 | 104.5 Ų | 104.5 | 54% | 0.535 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 175.2 | -74.6 | -20.5 | 0 | 0 | 0 | 111.9 | E16 F18 T23 C24 | E16-D20 PolarHBondContact O-N 3.4Å; F18-D20 VanDerWaalsContact C-N 3.34Å; D20-T23 PolarHBondContact O-N 3.07Å; D20-C24 WeakPolarHBondContact O-CB 3.47Å; D20-C24 PolarHBondContact O-N 3.36Å |
| 21 | S | 94.6 | Very high | 94.3 | Very high | 68 Ų | 68 | 107.1 Ų | 107.1 | 48% | 0.476 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 175.4 | -178.4 | 0 | 0 | 0 | 0 | 112.5 | M17 F18 V19 C24 T25 | M17-S21 WeakPolarHBondContact O-CB 3.36Å; M17-S21 PolarHBondContact O-N 3Å; F18-S21 WeakPolarHBondContact O-CB 3.4Å; F18-S21 PolarHBondContact O-N 3.45Å; V19-S21 VanDerWaalsContact C-N 3.35Å; V19-S21 PolarHBondContact O-N 2.91Å; S21-C24 PolarHBondContact O-N 3.41Å; S21-T25 PolarHBondContact O-N 3.33Å; S21-T25 PolarHBondContact O-OG1 3.22Å |
| 22 | I | 95.3 | Very high | 94.1 | Very high | 79 Ų | 79 | 104 Ų | 104 | 41% | 0.405 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.3 | -46.5 | 174.5 | -71.8 | 176.7 | 0 | 0 | 0 | 110.2 | F18 V19 C24 T25 V26 | F18-I22 HydrophobicContact CD1-CD1 3.82Å; F18-I22 HydrophobicContact CE1-CD1 3.27Å; F18-I22 HydrophobicContact CE1-CG1 4.26Å; F18-I22 HydrophobicContact CE2-CD1 4.3Å; F18-I22 HydrophobicContact CZ-CD1 3.55Å; F18-I22 HydrophobicContact CZ-CG1 4.25Å; F18-I22 WeakPolarHBondContact O-CG1 3.48Å; F18-I22 PolarHBondContact O-N 3.02Å; V19-I22 PolarHBondContact O-N 3.47Å; I22-C24 VanDerWaalsContact C-N 3.29Å; I22-C24 PolarHBondContact O-N 2.9Å; I22-T25 WeakPolarHBondContact O-CB 3.46Å; I22-T25 PolarHBondContact O-N 2.86Å; I22-V26 HydrophobicContact CG2-CG2 4.12Å; I22-V26 WeakPolarHBondContact O-CG2 3.4Å; I22-V26 PolarHBondContact O-N 2.8Å |
| 23 | T | 96 | Very high | 94.1 | Very high | 60 Ų | 60 | 105.6 Ų | 105.6 | 37% | 0.368 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.9 | -41.9 | -179.7 | -59.5 | 0 | 0 | 0 | 0 | 111.3 | V19 D20 K27 | V19-T23 WeakPolarHBondContact O-CB 3.46Å; V19-T23 PolarHBondContact O-N 2.83Å; V19-T23 PolarHBondContact O-OG1 2.99Å; D20-T23 PolarHBondContact O-N 3.07Å; T23-K27 HydrophobicContact CG2-CD 4.5Å; T23-K27 WeakPolarHBondContact O-CB 3.36Å; T23-K27 WeakPolarHBondContact O-CG 3.46Å; T23-K27 PolarHBondContact O-N 3.49Å |
| 24 | C | 94.8 | Very high | 94.1 | Very high | 62 Ų | 62 | 100.5 Ų | 100.5 | 42% | 0.419 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 174 | -174.5 | 0 | 0 | 0 | 0 | 111.8 | D20 S21 I22 K27 K28 | D20-C24 WeakPolarHBondContact O-CB 3.47Å; D20-C24 PolarHBondContact O-N 3.36Å; S21-C24 PolarHBondContact O-N 3.41Å; I22-C24 VanDerWaalsContact C-N 3.29Å; I22-C24 PolarHBondContact O-N 2.9Å; C24-K27 PolarHBondContact O-N 2.97Å; C24-K28 WeakPolarHBondContact O-CG 3.34Å; C24-K28 PolarHBondContact O-N 3.3Å |
| 25 | T | 94.1 | Very high | 93.9 | Very high | 66 Ų | 66 | 98.9 Ų | 98.9 | 41% | 0.405 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.6 | -45.1 | 178.5 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | S21 I22 K27 K28 Q29 | S21-T25 PolarHBondContact O-N 3.33Å; S21-T25 PolarHBondContact O-OG1 3.22Å; I22-T25 WeakPolarHBondContact O-CB 3.46Å; I22-T25 PolarHBondContact O-N 2.86Å; T25-K27 PolarHBondContact O-N 2.91Å; T25-K28 PolarHBondContact O-N 3.06Å; T25-Q29 WeakPolarHBondContact O-CG 3.36Å; T25-Q29 PolarHBondContact O-N 2.92Å |
| 26 | V | 95.1 | Very high | 93.8 | Very high | 73 Ų | 73 | 97.2 Ų | 97.2 | 44% | 0.442 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 176.9 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | I22 K28 Q29 Q30 | I22-V26 HydrophobicContact CG2-CG2 4.12Å; I22-V26 WeakPolarHBondContact O-CG2 3.4Å; I22-V26 PolarHBondContact O-N 2.8Å; V26-K28 PolarHBondContact O-N 3.35Å; V26-Q29 PolarHBondContact O-N 3.13Å; V26-Q30 WeakPolarHBondContact O-CB 3.26Å; V26-Q30 PolarHBondContact O-N 3.26Å |
| 27 | K | 95.3 | Very high | 93.6 | Very high | 130 Ų | 130 | 97.2 Ų | 97.2 | 57% | 0.565 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.6 | -43.1 | 174.8 | -76.4 | 178.9 | 179.2 | 179.9 | 0 | 112.2 | T23 C24 T25 Q30 I31 | T23-K27 HydrophobicContact CG2-CD 4.5Å; T23-K27 WeakPolarHBondContact O-CB 3.36Å; T23-K27 WeakPolarHBondContact O-CG 3.46Å; T23-K27 PolarHBondContact O-N 3.49Å; C24-K27 PolarHBondContact O-N 2.97Å; T25-K27 PolarHBondContact O-N 2.91Å; K27-Q30 PolarHBondContact O-N 3.08Å; K27-I31 WeakPolarHBondContact O-CG1 3.27Å; K27-I31 PolarHBondContact O-N 3.21Å; K27-I31 VanDerWaalsContact O-N 3.09Å |
| 28 | K | 93.2 | Very high | 93.4 | Very high | 142 Ų | 142 | 97.8 Ų | 97.8 | 62% | 0.617 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.3 | -43.4 | 175.2 | -73.2 | 178.6 | -178.2 | 179.7 | 0 | 112 | C24 T25 V26 Q30 I31 S32 | C24-K28 WeakPolarHBondContact O-CG 3.34Å; C24-K28 PolarHBondContact O-N 3.3Å; T25-K28 PolarHBondContact O-N 3.06Å; V26-K28 PolarHBondContact O-N 3.35Å; K28-Q30 VanDerWaalsContact C-N 3.34Å; K28-I31 PolarHBondContact O-N 3.33Å; K28-S32 PolarHBondContact O-N 2.86Å; K28-S32 VanDerWaalsContact O-N 3.08Å |
| 29 | Q | 92.3 | Very high | 93.1 | Very high | 119 Ų | 119 | 98.3 Ų | 98.3 | 56% | 0.556 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.2 | -35.2 | 176.9 | -73.3 | 177.4 | -18.2 | 0 | 0 | 112.5 | T25 V26 S32 F33 | T25-Q29 WeakPolarHBondContact O-CG 3.36Å; T25-Q29 PolarHBondContact O-N 2.92Å; V26-Q29 PolarHBondContact O-N 3.13Å; Q29-S32 WeakPolarHBondContact CA-OG 3.49Å; Q29-S32 PolarHBondContact O-N 3.01Å; Q29-S32 PolarHBondContact O-OG 2.91Å; Q29-F33 VanDerWaalsContact O-CB 3.3Å; Q29-F33 WeakPolarHBondContact O-CB 3.36Å; Q29-F33 PolarHBondContact O-N 3.46Å |
| 30 | Q | 94 | Very high | 92.7 | Very high | 116 Ų | 116 | 101.3 Ų | 101.3 | 54% | 0.542 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66 | -39.9 | 175.6 | -174 | 174.7 | -8 | 0 | 0 | 111.4 | V26 K27 K28 F33 N34 | V26-Q30 WeakPolarHBondContact O-CB 3.26Å; V26-Q30 PolarHBondContact O-N 3.26Å; K27-Q30 PolarHBondContact O-N 3.08Å; K28-Q30 VanDerWaalsContact C-N 3.34Å; Q30-F33 PolarHBondContact O-N 3.13Å; Q30-N34 WeakPolarHBondContact O-CB 3.1Å; Q30-N34 VanDerWaalsContact O-CG 3.24Å; Q30-N34 PolarHBondContact O-N 3.45Å; Q30-N34 PolarHBondContact O-ND2 2.94Å |
| 31 | I | 93.3 | Very high | 92.1 | Very high | 120 Ų | 120 | 101 Ų | 101 | 62% | 0.615 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.9 | -46.7 | 174.5 | -66.1 | 163.8 | 0 | 0 | 0 | 110.6 | K27 K28 F33 N34 A35 | K27-I31 WeakPolarHBondContact O-CG1 3.27Å; K27-I31 PolarHBondContact O-N 3.21Å; K27-I31 VanDerWaalsContact O-N 3.09Å; K28-I31 PolarHBondContact O-N 3.33Å; I31-F33 VanDerWaalsContact C-N 3.34Å; I31-F33 PolarHBondContact O-N 3.03Å; I31-N34 PolarHBondContact O-N 2.98Å; I31-A35 PolarHBondContact O-N 3.38Å |
| 32 | S | 90.5 | Very high | 91.2 | Very high | 72 Ų | 72 | 105.4 Ų | 105.4 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.6 | -36.7 | 178.7 | 65.1 | 0 | 0 | 0 | 0 | 112.5 | K28 Q29 A35 L36 | K28-S32 PolarHBondContact O-N 2.86Å; K28-S32 VanDerWaalsContact O-N 3.08Å; Q29-S32 WeakPolarHBondContact CA-OG 3.49Å; Q29-S32 PolarHBondContact O-N 3.01Å; Q29-S32 PolarHBondContact O-OG 2.91Å; S32-A35 PolarHBondContact O-N 3.35Å; S32-L36 WeakPolarHBondContact O-CB 3.25Å; S32-L36 PolarHBondContact O-N 2.87Å |
| 33 | F | 92.5 | Very high | 90.5 | Very high | 134 Ų | 134 | 103.8 Ų | 103.8 | 59% | 0.588 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.4 | -41.7 | 175.4 | -173.1 | -97.3 | 0 | 0 | 0 | 112.1 | Q29 Q30 I31 L36 K37 | Q29-F33 VanDerWaalsContact O-CB 3.3Å; Q29-F33 WeakPolarHBondContact O-CB 3.36Å; Q29-F33 PolarHBondContact O-N 3.46Å; Q30-F33 PolarHBondContact O-N 3.13Å; I31-F33 VanDerWaalsContact C-N 3.34Å; I31-F33 PolarHBondContact O-N 3.03Å; F33-L36 PolarHBondContact O-N 3.3Å; F33-K37 WeakPolarHBondContact O-CB 3.38Å; F33-K37 PolarHBondContact O-N 3.42Å |
| 34 | N | 92.8 | Very high | 89.5 | Confident | 76 Ų | 76 | 108.8 Ų | 108.8 | 41% | 0.406 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 175.3 | -73.3 | -15.8 | 0 | 0 | 0 | 111.4 | Q30 I31 L36 K37 E38 | Q30-N34 WeakPolarHBondContact O-CB 3.1Å; Q30-N34 VanDerWaalsContact O-CG 3.24Å; Q30-N34 PolarHBondContact O-N 3.45Å; Q30-N34 PolarHBondContact O-ND2 2.94Å; I31-N34 PolarHBondContact O-N 2.98Å; N34-L36 VanDerWaalsContact C-N 3.34Å; N34-L36 PolarHBondContact O-N 3.48Å; N34-K37 WeakPolarHBondContact O-CB 3.39Å; N34-K37 PolarHBondContact O-N 2.88Å; N34-E38 WeakPolarHBondContact O-CG 3.47Å; N34-E38 PolarHBondContact O-N 3.48Å |
| 35 | A | 90 | Very high | 88.5 | Confident | 54 Ų | 54 | 107.8 Ų | 107.8 | 45% | 0.446 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.1 | -41 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I31 S32 K37 E38 Y39 | I31-A35 PolarHBondContact O-N 3.38Å; S32-A35 PolarHBondContact O-N 3.35Å; A35-K37 VanDerWaalsContact C-N 3.34Å; A35-K37 PolarHBondContact O-N 2.78Å; A35-E38 PolarHBondContact O-N 3.46Å; A35-Y39 WeakPolarHBondContact O-CB 3.39Å; A35-Y39 PolarHBondContact O-N 2.95Å |
| 36 | L | 91.3 | Very high | 87.4 | Confident | 96 Ų | 96 | 109.6 Ų | 109.6 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.1 | -37.9 | 176.4 | -172.5 | 68.2 | 0 | 0 | 0 | 112 | S32 F33 N34 Y39 W40 | S32-L36 WeakPolarHBondContact O-CB 3.25Å; S32-L36 PolarHBondContact O-N 2.87Å; F33-L36 PolarHBondContact O-N 3.3Å; N34-L36 VanDerWaalsContact C-N 3.34Å; N34-L36 PolarHBondContact O-N 3.48Å; L36-Y39 PolarHBondContact O-N 2.96Å; L36-W40 WeakPolarHBondContact O-CB 3.46Å; L36-W40 PolarHBondContact O-N 3.01Å |
| 37 | K | 91.7 | Very high | 86 | Confident | 127 Ų | 127 | 110.8 Ų | 110.8 | 55% | 0.552 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.3 | -43.1 | 176.6 | -171.2 | -179.3 | 179.8 | -176.6 | 0 | 111.5 | F33 N34 A35 W40 N41 | F33-K37 WeakPolarHBondContact O-CB 3.38Å; F33-K37 PolarHBondContact O-N 3.42Å; N34-K37 WeakPolarHBondContact O-CB 3.39Å; N34-K37 PolarHBondContact O-N 2.88Å; A35-K37 VanDerWaalsContact C-N 3.34Å; A35-K37 PolarHBondContact O-N 2.78Å; K37-W40 PolarHBondContact O-N 3.29Å; K37-N41 VanDerWaalsContact O-CG 3.3Å; K37-N41 PolarHBondContact O-N 2.93Å; K37-N41 PolarHBondContact O-ND2 3.42Å |
| 38 | E | 88.9 | Confident | 84.8 | Confident | 141 Ų | 141 | 108.8 Ų | 108.8 | 66% | 0.659 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.7 | -45 | 173.9 | -73.4 | 179.3 | 175.7 | 0 | 0 | 111.6 | N34 A35 W40 N41 Y42 | N34-E38 WeakPolarHBondContact O-CG 3.47Å; N34-E38 PolarHBondContact O-N 3.48Å; A35-E38 PolarHBondContact O-N 3.46Å; E38-W40 PolarHBondContact O-N 2.88Å; E38-N41 PolarHBondContact O-N 3.46Å; E38-Y42 PolarHBondContact O-N 2.68Å |
| 39 | Y | 88.5 | Confident | 83.5 | Confident | 146 Ų | 146 | 106.3 Ų | 106.3 | 57% | 0.573 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -58.8 | -44.8 | 174.4 | 177.5 | -100.5 | 0 | 0 | 0 | 112.2 | A35 L36 N41 Y42 V43 | A35-Y39 WeakPolarHBondContact O-CB 3.39Å; A35-Y39 PolarHBondContact O-N 2.95Å; L36-Y39 PolarHBondContact O-N 2.96Å; Y39-N41 VanDerWaalsContact C-N 3.35Å; Y39-N41 PolarHBondContact O-N 3.48Å; Y39-Y42 WeakPolarHBondContact O-CB 3.3Å; Y39-Y42 PolarHBondContact O-N 2.64Å; Y39-V43 HydrophobicContact CD1-CG2 4.15Å; Y39-V43 HydrophobicContact CE1-CG2 3.68Å; Y39-V43 HydrophobicContact CE2-CG2 4.07Å; Y39-V43 WeakPolarHBondContact O-CG2 3.37Å; Y39-V43 PolarHBondContact O-N 3.46Å |
| 40 | W | 86.7 | Confident | 81.7 | Confident | 147 Ų | 147 | 103.1 Ų | 103.1 | 56% | 0.557 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.4 | -39.3 | 177.1 | -103.5 | 103.6 | 0 | 0 | 0 | 113.1 | L36 K37 E38 Y42 V43 R44 | L36-W40 WeakPolarHBondContact O-CB 3.46Å; L36-W40 PolarHBondContact O-N 3.01Å; K37-W40 PolarHBondContact O-N 3.29Å; E38-W40 PolarHBondContact O-N 2.88Å; W40-Y42 VanDerWaalsContact C-N 3.33Å; W40-V43 PolarHBondContact O-N 3.05Å; W40-R44 WeakPolarHBondContact O-CB 3.47Å; W40-R44 PolarHBondContact O-N 3.31Å |
| 41 | N | 82.6 | Confident | 79.9 | Confident | 93 Ų | 93 | 100.6 Ų | 100.6 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 174.3 | -72.2 | -20.9 | 0 | 0 | 0 | 111.2 | K37 E38 Y39 R44 G45 | K37-N41 VanDerWaalsContact O-CG 3.3Å; K37-N41 PolarHBondContact O-N 2.93Å; K37-N41 PolarHBondContact O-ND2 3.42Å; E38-N41 PolarHBondContact O-N 3.46Å; Y39-N41 VanDerWaalsContact C-N 3.35Å; Y39-N41 PolarHBondContact O-N 3.48Å; N41-R44 PolarHBondContact O-N 3.3Å; N41-G45 PolarHBondContact O-N 3.22Å |
| 42 | Y | 77.7 | Confident | 78.2 | Confident | 160 Ų | 160 | 96.9 Ų | 96.9 | 63% | 0.627 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.6 | -47.6 | 174.2 | 178 | -97.2 | 0 | 0 | 0 | 112.1 | E38 Y39 W40 R44 G45 F46 | E38-Y42 PolarHBondContact O-N 2.68Å; Y39-Y42 WeakPolarHBondContact O-CB 3.3Å; Y39-Y42 PolarHBondContact O-N 2.64Å; W40-Y42 VanDerWaalsContact C-N 3.33Å; Y42-R44 VanDerWaalsContact C-N 3.34Å; Y42-R44 PolarHBondContact O-N 2.79Å; Y42-G45 PolarHBondContact O-N 3.44Å; Y42-F46 VanDerWaalsContact O-CB 3.31Å; Y42-F46 WeakPolarHBondContact O-CB 3.47Å; Y42-F46 PolarHBondContact O-N 2.93Å |
| 43 | V | 78.6 | Confident | 76.8 | Confident | 46 Ų | 46 | 103.8 Ų | 103.8 | 28% | 0.279 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 177.5 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | Y39 W40 F46 Q47 | Y39-V43 HydrophobicContact CD1-CG2 4.15Å; Y39-V43 HydrophobicContact CE1-CG2 3.68Å; Y39-V43 HydrophobicContact CE2-CG2 4.07Å; Y39-V43 WeakPolarHBondContact O-CG2 3.37Å; Y39-V43 PolarHBondContact O-N 3.46Å; W40-V43 PolarHBondContact O-N 3.05Å; V43-F46 PolarHBondContact O-N 3.45Å; V43-Q47 VanDerWaalsContact O-CB 3.25Å; V43-Q47 WeakPolarHBondContact O-CB 3.39Å; V43-Q47 PolarHBondContact O-N 2.88Å |
| 44 | R | 76.4 | Confident | 76 | Confident | 165 Ų | 165 | 103.3 Ų | 103.3 | 62% | 0.623 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.1 | -42.8 | 177.6 | -169.8 | -174.3 | -67.4 | -173.6 | -2 | 111.8 | W40 N41 Y42 Q47 A48 | W40-R44 WeakPolarHBondContact O-CB 3.47Å; W40-R44 PolarHBondContact O-N 3.31Å; N41-R44 PolarHBondContact O-N 3.3Å; Y42-R44 VanDerWaalsContact C-N 3.34Å; Y42-R44 PolarHBondContact O-N 2.79Å; R44-Q47 PolarHBondContact O-N 2.85Å; R44-A48 WeakPolarHBondContact O-CB 3.49Å; R44-A48 PolarHBondContact O-N 3.45Å |
| 45 | G | 73.5 | Confident | 75.3 | Confident | 40 Ų | 40 | 107 Ų | 107 | 41% | 0.412 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | N41 Y42 A48 A49 | N41-G45 PolarHBondContact O-N 3.22Å; Y42-G45 PolarHBondContact O-N 3.44Å; G45-A48 PolarHBondContact O-N 3.4Å; G45-A49 WeakPolarHBondContact O-CB 3.38Å; G45-A49 PolarHBondContact O-N 2.96Å |
| 46 | F | 71.1 | Confident | 74.9 | Confident | 104 Ų | 104 | 108.2 Ų | 108.2 | 46% | 0.456 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64 | -40.3 | 175.1 | -173.1 | -96 | 0 | 0 | 0 | 112.1 | Y42 V43 A49 S50 | Y42-F46 VanDerWaalsContact O-CB 3.31Å; Y42-F46 WeakPolarHBondContact O-CB 3.47Å; Y42-F46 PolarHBondContact O-N 2.93Å; V43-F46 PolarHBondContact O-N 3.45Å; F46-A49 PolarHBondContact O-N 3.48Å; F46-S50 WeakPolarHBondContact O-CB 3.35Å; F46-S50 PolarHBondContact O-N 3.2Å |
| 47 | Q | 65.9 | Low | 74.4 | Confident | 98 Ų | 98 | 107.1 Ų | 107.1 | 46% | 0.458 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -70.9 | -29.9 | 178.6 | -170.6 | 175.2 | 10.9 | 0 | 0 | 113.3 | V43 R44 S50 S52 | V43-Q47 VanDerWaalsContact O-CB 3.25Å; V43-Q47 WeakPolarHBondContact O-CB 3.39Å; V43-Q47 PolarHBondContact O-N 2.88Å; R44-Q47 PolarHBondContact O-N 2.85Å; Q47-S50 VanDerWaalsContact O-O 3.09Å; Q47-S52 PolarHBondContact O-OG 2.93Å |
| 48 | A | 68.9 | Low | 74 | Confident | 88 Ų | 88 | 105.8 Ų | 105.8 | 73% | 0.727 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -78.6 | -37.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R44 G45 | R44-A48 WeakPolarHBondContact O-CB 3.49Å; R44-A48 PolarHBondContact O-N 3.45Å; G45-A48 PolarHBondContact O-N 3.4Å |
| 49 | A | 65.9 | Low | 73.9 | Confident | 90 Ų | 90 | 102 Ų | 102 | 74% | 0.744 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -76.4 | -36.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | G45 F46 | G45-A49 WeakPolarHBondContact O-CB 3.38Å; G45-A49 PolarHBondContact O-N 2.96Å; F46-A49 PolarHBondContact O-N 3.48Å |
| 50 | S | 55.3 | Low | 73.9 | Confident | 52 Ų | 52 | 98.8 Ų | 98.8 | 36% | 0.364 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 106.4 | 176.4 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | F46 Q47 S52 | F46-S50 WeakPolarHBondContact O-CB 3.35Å; F46-S50 PolarHBondContact O-N 3.2Å; Q47-S50 VanDerWaalsContact O-O 3.09Å; S50-S52 VanDerWaalsContact C-N 3.27Å; S50-S52 WeakPolarHBondContact O-CA 3.44Å; S50-S52 WeakPolarHBondContact O-CB 3.49Å; S50-S52 PolarHBondContact O-N 2.93Å |
| 51 | G | 56.6 | Low | 73.8 | Confident | 64 Ų | 64 | 96.1 Ų | 96.1 | 66% | 0.66 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.3 | 78.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | R53 N54 | G51-R53 PolarHBondContact O-N 3.07Å; G51-R53 VanDerWaalsContact O-N 3.07Å; G51-N54 PolarHBondContact O-N 2.86Å |
| 52 | S | 56.7 | Low | 74 | Confident | 41 Ų | 41 | 96.1 Ų | 96.1 | 29% | 0.287 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.2 | -9.1 | -161.3 | 55.4 | 0 | 0 | 0 | 0 | 114.7 | Q47 S50 N54 N56 | Q47-S52 PolarHBondContact O-OG 2.93Å; S50-S52 VanDerWaalsContact C-N 3.27Å; S50-S52 WeakPolarHBondContact O-CA 3.44Å; S50-S52 WeakPolarHBondContact O-CB 3.49Å; S50-S52 PolarHBondContact O-N 2.93Å; S52-N54 VanDerWaalsContact C-N 3.31Å; S52-N54 PolarHBondContact O-N 3.32Å; S52-N56 PolarHBondContact O-N 3.29Å; S52-N56 VanDerWaalsContact O-N 3.16Å |
| 53 | R | 61.8 | Low | 74.7 | Confident | 217 Ų | 217 | 96 Ų | 96 | 82% | 0.819 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60 | -42.8 | 173.2 | -161 | 172.7 | -174.1 | 175.6 | 0.8 | 111.1 | G51 T57 | G51-R53 PolarHBondContact O-N 3.07Å; G51-R53 VanDerWaalsContact O-N 3.07Å; R53-T57 WeakPolarHBondContact O-CB 3.29Å; R53-T57 PolarHBondContact O-N 3.01Å; R53-T57 PolarHBondContact O-OG1 3.46Å |
| 54 | N | 74.6 | Confident | 75.2 | Confident | 124 Ų | 124 | 99.6 Ų | 99.6 | 66% | 0.663 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -71.9 | -42.4 | -177.8 | -162.9 | 0.7 | 0 | 0 | 0 | 112.2 | G51 S52 T57 L58 | G51-N54 PolarHBondContact O-N 2.86Å; S52-N54 VanDerWaalsContact C-N 3.31Å; S52-N54 PolarHBondContact O-N 3.32Å; N54-T57 PolarHBondContact O-N 3.32Å; N54-L58 WeakPolarHBondContact O-CB 3.33Å; N54-L58 PolarHBondContact O-N 3.26Å |
| 55 | R | 78.4 | Confident | 75.8 | Confident | 154 Ų | 154 | 97.5 Ų | 97.5 | 58% | 0.581 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.4 | -43.6 | -179 | -175.2 | 178.5 | 177.2 | -178.9 | -0.1 | 112.7 | L58 I59 | R55-L58 PolarHBondContact O-N 3.43Å; R55-I59 HydrophobicContact CG-CD1 4.03Å; R55-I59 VanDerWaalsContact O-CG1 3.28Å; R55-I59 WeakPolarHBondContact O-CG1 3.38Å; R55-I59 PolarHBondContact O-N 3.36Å |
| 56 | N | 81.5 | Confident | 76.7 | Confident | 80 Ų | 80 | 98.7 Ų | 98.7 | 43% | 0.428 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68 | -42.7 | 179 | -71.9 | -14 | 0 | 0 | 0 | 111.1 | S52 L58 I59 D60 | S52-N56 PolarHBondContact O-N 3.29Å; S52-N56 VanDerWaalsContact O-N 3.16Å; N56-L58 VanDerWaalsContact C-N 3.32Å; N56-L58 PolarHBondContact O-N 3.46Å; N56-I59 PolarHBondContact O-N 3.4Å; N56-D60 PolarHBondContact O-N 3.3Å |
| 57 | T | 82.1 | Confident | 77.8 | Confident | 73 Ų | 73 | 99.5 Ų | 99.5 | 45% | 0.448 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.7 | -44 | 173.1 | -61.1 | 0 | 0 | 0 | 0 | 111.4 | R53 N54 I59 D60 E61 | R53-T57 WeakPolarHBondContact O-CB 3.29Å; R53-T57 PolarHBondContact O-N 3.01Å; R53-T57 PolarHBondContact O-OG1 3.46Å; N54-T57 PolarHBondContact O-N 3.32Å; T57-I59 PolarHBondContact O-N 3.49Å; T57-D60 PolarHBondContact O-N 2.99Å; T57-E61 HydrophobicContact CG2-CG 4.44Å; T57-E61 WeakPolarHBondContact O-CG 3.28Å; T57-E61 PolarHBondContact O-N 3.39Å |
| 58 | L | 82.7 | Confident | 79.1 | Confident | 99 Ų | 99 | 99.6 Ų | 99.6 | 52% | 0.518 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.4 | -42 | 176 | -177.2 | 66 | 0 | 0 | 0 | 112.5 | N54 R55 N56 D60 E61 L62 | N54-L58 WeakPolarHBondContact O-CB 3.33Å; N54-L58 PolarHBondContact O-N 3.26Å; R55-L58 PolarHBondContact O-N 3.43Å; N56-L58 VanDerWaalsContact C-N 3.32Å; N56-L58 PolarHBondContact O-N 3.46Å; L58-D60 VanDerWaalsContact C-N 3.33Å; L58-D60 PolarHBondContact O-N 2.87Å; L58-E61 PolarHBondContact O-N 3.46Å; L58-L62 HydrophobicContact CD1-CG 4.48Å; L58-L62 HydrophobicContact CG-CD1 4.11Å; L58-L62 WeakPolarHBondContact O-CB 3.29Å; L58-L62 VanDerWaalsContact O-CG 3.27Å; L58-L62 WeakPolarHBondContact O-CG 3.35Å; L58-L62 PolarHBondContact O-N 3.21Å |
| 59 | I | 87.1 | Confident | 80.3 | Confident | 60 Ų | 60 | 100.7 Ų | 100.7 | 31% | 0.308 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 176.5 | -70.4 | 165.6 | 0 | 0 | 0 | 110.9 | R55 N56 T57 L62 R63 | R55-I59 HydrophobicContact CG-CD1 4.03Å; R55-I59 VanDerWaalsContact O-CG1 3.28Å; R55-I59 WeakPolarHBondContact O-CG1 3.38Å; R55-I59 PolarHBondContact O-N 3.36Å; N56-I59 PolarHBondContact O-N 3.4Å; T57-I59 PolarHBondContact O-N 3.49Å; I59-L62 PolarHBondContact O-N 3.16Å; I59-R63 VanDerWaalsContact O-CG 3.3Å; I59-R63 WeakPolarHBondContact O-CG 3.33Å; I59-R63 PolarHBondContact O-N 3.43Å |
| 60 | D | 87.2 | Confident | 81.6 | Confident | 80 Ų | 80 | 100.2 Ų | 100.2 | 43% | 0.428 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.8 | -39.3 | 178.5 | -70.7 | -24.5 | 0 | 0 | 0 | 111.9 | N56 T57 L58 R63 K64 | N56-D60 PolarHBondContact O-N 3.3Å; T57-D60 PolarHBondContact O-N 2.99Å; L58-D60 VanDerWaalsContact C-N 3.33Å; L58-D60 PolarHBondContact O-N 2.87Å; D60-R63 PolarHBondContact O-N 2.97Å; D60-R63 IonicContact OD1-NH1 3.76Å; D60-K64 WeakPolarHBondContact O-CG 3.27Å; D60-K64 PolarHBondContact O-N 3.19Å |
| 61 | E | 84.9 | Confident | 83.4 | Confident | 91 Ų | 91 | 103.5 Ų | 103.5 | 43% | 0.425 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.2 | -43.5 | 173.5 | -68.2 | -50.8 | 132.2 | 0 | 0 | 111.8 | T57 L58 R63 K64 E65 | T57-E61 HydrophobicContact CG2-CG 4.44Å; T57-E61 WeakPolarHBondContact O-CG 3.28Å; T57-E61 PolarHBondContact O-N 3.39Å; L58-E61 PolarHBondContact O-N 3.46Å; E61-R63 VanDerWaalsContact C-N 3.28Å; E61-R63 PolarHBondContact O-N 3.37Å; E61-K64 WeakPolarHBondContact O-CB 3.4Å; E61-K64 PolarHBondContact O-N 2.94Å; E61-K64 VanDerWaalsContact O-N 3.15Å; E61-K64 IonicContact OE1-NZ 2.73Å; E61-K64 PolarHBondContact OE1-NZ 2.92Å; E61-K64 IonicContact OE2-NZ 3.88Å; E61-E65 WeakPolarHBondContact O-CB 3.39Å; E61-E65 PolarHBondContact O-N 3.45Å |
| 62 | L | 87.6 | Confident | 85.2 | Confident | 93 Ų | 93 | 104.7 Ų | 104.7 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.2 | -35.7 | 174.8 | -75.5 | 170.4 | 0 | 0 | 0 | 112.4 | L58 I59 S66 | L58-L62 HydrophobicContact CD1-CG 4.48Å; L58-L62 HydrophobicContact CG-CD1 4.11Å; L58-L62 WeakPolarHBondContact O-CB 3.29Å; L58-L62 VanDerWaalsContact O-CG 3.27Å; L58-L62 WeakPolarHBondContact O-CG 3.35Å; L58-L62 PolarHBondContact O-N 3.21Å; I59-L62 PolarHBondContact O-N 3.16Å; L62-S66 WeakPolarHBondContact O-CB 3.34Å; L62-S66 PolarHBondContact O-N 3.45Å |
| 63 | R | 91 | Very high | 87 | Confident | 158 Ų | 158 | 107.2 Ų | 107.2 | 60% | 0.596 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.8 | -43 | 174.3 | -77.1 | 171 | 173.4 | 173.9 | -3.7 | 111.8 | I59 D60 E61 S66 I67 | I59-R63 VanDerWaalsContact O-CG 3.3Å; I59-R63 WeakPolarHBondContact O-CG 3.33Å; I59-R63 PolarHBondContact O-N 3.43Å; D60-R63 PolarHBondContact O-N 2.97Å; D60-R63 IonicContact OD1-NH1 3.76Å; E61-R63 VanDerWaalsContact C-N 3.28Å; E61-R63 PolarHBondContact O-N 3.37Å; R63-S66 PolarHBondContact O-N 3.48Å; R63-I67 WeakPolarHBondContact O-CG1 3.31Å; R63-I67 PolarHBondContact O-N 3.35Å |
| 64 | K | 90.4 | Very high | 88.6 | Confident | 120 Ų | 120 | 103 Ų | 103 | 52% | 0.522 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 175.2 | -69.3 | 171.8 | -170.1 | 169.1 | 0 | 111.3 | D60 E61 S66 I67 L68 | D60-K64 WeakPolarHBondContact O-CG 3.27Å; D60-K64 PolarHBondContact O-N 3.19Å; E61-K64 WeakPolarHBondContact O-CB 3.4Å; E61-K64 PolarHBondContact O-N 2.94Å; E61-K64 VanDerWaalsContact O-N 3.15Å; E61-K64 IonicContact OE1-NZ 2.73Å; E61-K64 PolarHBondContact OE1-NZ 2.92Å; E61-K64 IonicContact OE2-NZ 3.88Å; K64-S66 VanDerWaalsContact C-N 3.34Å; K64-S66 PolarHBondContact O-N 3.47Å; K64-I67 PolarHBondContact O-N 2.95Å; K64-L68 PolarHBondContact O-N 2.94Å |
| 65 | E | 89.6 | Confident | 89.6 | Confident | 121 Ų | 121 | 100 Ų | 100 | 57% | 0.565 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62 | -42.5 | 177.5 | -171.7 | 178.4 | -177.1 | 0 | 0 | 111.2 | E61 I67 L68 M69 | E61-E65 WeakPolarHBondContact O-CB 3.39Å; E61-E65 PolarHBondContact O-N 3.45Å; E65-I67 PolarHBondContact O-N 3.45Å; E65-L68 PolarHBondContact O-N 2.9Å; E65-M69 WeakPolarHBondContact O-CB 3.45Å; E65-M69 PolarHBondContact O-N 3.23Å |
| 66 | S | 92.4 | Very high | 90.4 | Very high | 65 Ų | 65 | 96.8 Ų | 96.8 | 46% | 0.455 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62 | -40.7 | 175.4 | -177.9 | 0 | 0 | 0 | 0 | 112.8 | L62 R63 K64 M69 N70 | L62-S66 WeakPolarHBondContact O-CB 3.34Å; L62-S66 PolarHBondContact O-N 3.45Å; R63-S66 PolarHBondContact O-N 3.48Å; K64-S66 VanDerWaalsContact C-N 3.34Å; K64-S66 PolarHBondContact O-N 3.47Å; S66-M69 PolarHBondContact O-N 2.95Å; S66-N70 PolarHBondContact O-N 3Å; S66-N70 PolarHBondContact O-ND2 2.75Å |
| 67 | I | 93.5 | Very high | 91.2 | Very high | 121 Ų | 121 | 99.3 Ų | 99.3 | 62% | 0.621 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.5 | -44.6 | 174.5 | -67.5 | 164.7 | 0 | 0 | 0 | 110.4 | R63 K64 E65 N70 F71 | R63-I67 WeakPolarHBondContact O-CG1 3.31Å; R63-I67 PolarHBondContact O-N 3.35Å; K64-I67 PolarHBondContact O-N 2.95Å; E65-I67 PolarHBondContact O-N 3.45Å; I67-N70 PolarHBondContact O-N 3.49Å; I67-F71 PolarHBondContact O-N 2.78Å |
| 68 | L | 92.1 | Very high | 91.8 | Very high | 101 Ų | 101 | 101.9 Ų | 101.9 | 53% | 0.529 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 178.2 | -176.9 | 61.4 | 0 | 0 | 0 | 111.8 | K64 E65 F71 L72 | K64-L68 PolarHBondContact O-N 2.94Å; E65-L68 PolarHBondContact O-N 2.9Å; L68-F71 WeakPolarHBondContact O-CB 3.3Å; L68-F71 PolarHBondContact O-N 3.41Å; L68-L72 HydrophobicContact CG-CD1 4.24Å; L68-L72 WeakPolarHBondContact O-CG 3.49Å; L68-L72 PolarHBondContact O-N 3.45Å |
| 69 | M | 94.2 | Very high | 92.4 | Very high | 110 Ų | 110 | 100.4 Ų | 100.4 | 54% | 0.542 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.5 | -44.9 | 178.2 | -169.7 | 164.4 | 178.9 | 0 | 0 | 111.2 | E65 S66 F71 L72 E73 | E65-M69 WeakPolarHBondContact O-CB 3.45Å; E65-M69 PolarHBondContact O-N 3.23Å; S66-M69 PolarHBondContact O-N 2.95Å; M69-F71 VanDerWaalsContact C-N 3.32Å; M69-F71 PolarHBondContact O-N 3.2Å; M69-L72 PolarHBondContact O-N 3.49Å; M69-E73 WeakPolarHBondContact O-CG 3.14Å; M69-E73 PolarHBondContact O-N 2.89Å |
| 70 | N | 94.2 | Very high | 92.9 | Very high | 80 Ų | 80 | 106.4 Ų | 106.4 | 43% | 0.428 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.5 | -40.6 | 173.9 | -74.7 | -51 | 0 | 0 | 0 | 112.3 | S66 I67 E73 Q74 | S66-N70 PolarHBondContact O-N 3Å; S66-N70 PolarHBondContact O-ND2 2.75Å; I67-N70 PolarHBondContact O-N 3.49Å; N70-E73 PolarHBondContact O-N 3.07Å; N70-Q74 WeakPolarHBondContact O-CG 3.37Å; N70-Q74 PolarHBondContact O-N 3.19Å; N70-Q74 VanDerWaalsContact O-N 3.09Å |
| 71 | F | 93.2 | Very high | 93.3 | Very high | 122 Ų | 122 | 108.6 Ų | 108.6 | 54% | 0.535 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.5 | -45 | 175.4 | 176.1 | -95.8 | 0 | 0 | 0 | 111.9 | I67 L68 M69 E73 Q74 E75 | I67-F71 PolarHBondContact O-N 2.78Å; L68-F71 WeakPolarHBondContact O-CB 3.3Å; L68-F71 PolarHBondContact O-N 3.41Å; M69-F71 VanDerWaalsContact C-N 3.32Å; M69-F71 PolarHBondContact O-N 3.2Å; F71-E73 VanDerWaalsContact C-N 3.33Å; F71-E73 PolarHBondContact O-N 3.42Å; F71-Q74 PolarHBondContact O-N 2.73Å; F71-E75 PolarHBondContact O-N 2.86Å |
| 72 | L | 94.5 | Very high | 93.9 | Very high | 89 Ų | 89 | 107.9 Ų | 107.9 | 47% | 0.466 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.3 | -36.1 | 176.8 | -72.2 | 172.9 | 0 | 0 | 0 | 112.3 | L68 M69 E75 N76 | L68-L72 HydrophobicContact CG-CD1 4.24Å; L68-L72 WeakPolarHBondContact O-CG 3.49Å; L68-L72 PolarHBondContact O-N 3.45Å; M69-L72 PolarHBondContact O-N 3.49Å; L72-E75 PolarHBondContact O-N 3.15Å; L72-N76 VanDerWaalsContact O-CB 3.29Å; L72-N76 WeakPolarHBondContact O-CB 3.46Å; L72-N76 VanDerWaalsContact O-CG 3.28Å; L72-N76 PolarHBondContact O-N 3.04Å; L72-N76 PolarHBondContact O-ND2 3.34Å |
| 73 | E | 94.6 | Very high | 94.3 | Very high | 93 Ų | 93 | 108.6 Ų | 108.6 | 44% | 0.435 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.4 | -44.1 | 174.4 | -75.8 | 179.4 | 179.3 | 0 | 0 | 112.1 | M69 N70 F71 N76 Q77 | M69-E73 WeakPolarHBondContact O-CG 3.14Å; M69-E73 PolarHBondContact O-N 2.89Å; N70-E73 PolarHBondContact O-N 3.07Å; F71-E73 VanDerWaalsContact C-N 3.33Å; F71-E73 PolarHBondContact O-N 3.42Å; E73-N76 PolarHBondContact O-N 3.47Å; E73-Q77 WeakPolarHBondContact O-CG 3.33Å; E73-Q77 PolarHBondContact O-N 3.32Å |
| 74 | Q | 94.7 | Very high | 94.6 | Very high | 130 Ų | 130 | 105.1 Ų | 105.1 | 61% | 0.607 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.3 | -44.2 | 175 | -70.9 | 176.4 | 14.1 | 0 | 0 | 111.7 | N70 F71 N76 Q77 R78 | N70-Q74 WeakPolarHBondContact O-CG 3.37Å; N70-Q74 PolarHBondContact O-N 3.19Å; N70-Q74 VanDerWaalsContact O-N 3.09Å; F71-Q74 PolarHBondContact O-N 2.73Å; Q74-N76 PolarHBondContact O-N 2.88Å; Q74-Q77 PolarHBondContact O-N 2.84Å; Q74-R78 PolarHBondContact O-N 2.81Å |
| 75 | E | 95.5 | Very high | 94.9 | Very high | 60 Ų | 60 | 103.1 Ų | 103.1 | 28% | 0.28 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.7 | -39.4 | 178.2 | -175.8 | 59.2 | -169.4 | 0 | 0 | 111.7 | F71 L72 Q77 R78 L79 | F71-E75 PolarHBondContact O-N 2.86Å; L72-E75 PolarHBondContact O-N 3.15Å; E75-Q77 VanDerWaalsContact C-N 3.35Å; E75-Q77 PolarHBondContact O-N 3.35Å; E75-R78 WeakPolarHBondContact O-CB 3.33Å; E75-R78 PolarHBondContact O-N 2.92Å; E75-R78 IonicContact OE1-CZ 2.7Å; E75-R78 IonicContact OE1-NE 3.51Å; E75-R78 PolarHBondContact OE1-NE 3.44Å; E75-R78 IonicContact OE1-NH2 2.85Å; E75-R78 PolarHBondContact OE1-NH2 2.9Å; E75-R78 IonicContact OE2-CZ 2.67Å; E75-R78 IonicContact OE2-NE 2.66Å; E75-R78 PolarHBondContact OE2-NE 2.99Å; E75-R78 IonicContact OE2-NH2 3.31Å; E75-L79 HydrophobicContact CG-CD1 4.3Å; E75-L79 WeakPolarHBondContact O-CB 3.35Å; E75-L79 VanDerWaalsContact O-CG 3.31Å; E75-L79 WeakPolarHBondContact O-CG 3.31Å; E75-L79 PolarHBondContact O-N 3.32Å |
| 76 | N | 96.4 | Very high | 95.2 | Very high | 86 Ų | 86 | 102.9 Ų | 102.9 | 46% | 0.46 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -39.4 | 173.5 | -82.7 | -44.5 | 0 | 0 | 0 | 112.6 | L72 E73 Q74 R80 | L72-N76 VanDerWaalsContact O-CB 3.29Å; L72-N76 WeakPolarHBondContact O-CB 3.46Å; L72-N76 VanDerWaalsContact O-CG 3.28Å; L72-N76 PolarHBondContact O-N 3.04Å; L72-N76 PolarHBondContact O-ND2 3.34Å; E73-N76 PolarHBondContact O-N 3.47Å; Q74-N76 PolarHBondContact O-N 2.88Å; N76-R80 VanDerWaalsContact O-CG 3.27Å; N76-R80 WeakPolarHBondContact O-CG 3.48Å; N76-R80 PolarHBondContact O-N 3.49Å |
| 77 | Q | 96.8 | Very high | 95.4 | Very high | 134 Ų | 134 | 105.1 Ų | 105.1 | 63% | 0.626 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.3 | -44.6 | 173.8 | -72.4 | 175.7 | 7.4 | 0 | 0 | 111.1 | E73 Q74 E75 L79 R80 Q81 | E73-Q77 WeakPolarHBondContact O-CG 3.33Å; E73-Q77 PolarHBondContact O-N 3.32Å; Q74-Q77 PolarHBondContact O-N 2.84Å; E75-Q77 VanDerWaalsContact C-N 3.35Å; E75-Q77 PolarHBondContact O-N 3.35Å; Q77-L79 PolarHBondContact O-N 2.88Å; Q77-R80 PolarHBondContact O-N 2.99Å; Q77-Q81 PolarHBondContact O-N 3.22Å |
| 78 | R | 95 | Very high | 95.5 | Very high | 126 Ų | 126 | 102.9 Ų | 102.9 | 48% | 0.475 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60 | -45 | 176.7 | -166.7 | -171.5 | 74.2 | 81.3 | 0.4 | 112.1 | Q74 E75 Q81 L82 | Q74-R78 PolarHBondContact O-N 2.81Å; E75-R78 WeakPolarHBondContact O-CB 3.33Å; E75-R78 PolarHBondContact O-N 2.92Å; E75-R78 IonicContact OE1-CZ 2.7Å; E75-R78 IonicContact OE1-NE 3.51Å; E75-R78 PolarHBondContact OE1-NE 3.44Å; E75-R78 IonicContact OE1-NH2 2.85Å; E75-R78 PolarHBondContact OE1-NH2 2.9Å; E75-R78 IonicContact OE2-CZ 2.67Å; E75-R78 IonicContact OE2-NE 2.66Å; E75-R78 PolarHBondContact OE2-NE 2.99Å; E75-R78 IonicContact OE2-NH2 3.31Å; R78-Q81 PolarHBondContact O-N 3.31Å; R78-L82 PolarHBondContact O-N 2.95Å |
| 79 | L | 96.5 | Very high | 95.7 | Very high | 69 Ų | 69 | 100.3 Ų | 100.3 | 36% | 0.361 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.1 | -41 | 177.5 | -71.6 | 172.6 | 0 | 0 | 0 | 112 | E75 Q77 Q81 L82 I83 | E75-L79 HydrophobicContact CG-CD1 4.3Å; E75-L79 WeakPolarHBondContact O-CB 3.35Å; E75-L79 VanDerWaalsContact O-CG 3.31Å; E75-L79 WeakPolarHBondContact O-CG 3.31Å; E75-L79 PolarHBondContact O-N 3.32Å; Q77-L79 PolarHBondContact O-N 2.88Å; L79-Q81 VanDerWaalsContact C-N 3.32Å; L79-Q81 PolarHBondContact O-N 2.97Å; L79-L82 PolarHBondContact O-N 3.27Å; L79-I83 WeakPolarHBondContact O-CG1 3.48Å; L79-I83 PolarHBondContact O-N 3.04Å |
| 80 | R | 97.5 | Very high | 95.9 | Very high | 185 Ų | 185 | 100.8 Ų | 100.8 | 70% | 0.698 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.7 | -40.3 | 175.1 | -74.5 | 175 | -170.4 | -79.4 | -0.3 | 112.1 | N76 Q77 N84 | N76-R80 VanDerWaalsContact O-CG 3.27Å; N76-R80 WeakPolarHBondContact O-CG 3.48Å; N76-R80 PolarHBondContact O-N 3.49Å; Q77-R80 PolarHBondContact O-N 2.99Å; R80-N84 PolarHBondContact O-N 2.79Å; R80-N84 VanDerWaalsContact O-N 3.11Å |
| 81 | Q | 95.8 | Very high | 96 | Very high | 126 Ų | 126 | 102.9 Ų | 102.9 | 59% | 0.589 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.6 | -47.9 | 175.3 | -174.4 | 175.2 | -0.1 | 0 | 0 | 111.3 | Q77 R78 L79 I83 N84 D85 | Q77-Q81 PolarHBondContact O-N 3.22Å; R78-Q81 PolarHBondContact O-N 3.31Å; L79-Q81 VanDerWaalsContact C-N 3.32Å; L79-Q81 PolarHBondContact O-N 2.97Å; Q81-I83 VanDerWaalsContact C-N 3.32Å; Q81-I83 PolarHBondContact O-N 3.24Å; Q81-N84 WeakPolarHBondContact O-CB 3.39Å; Q81-N84 PolarHBondContact O-N 3.44Å; Q81-D85 PolarHBondContact O-N 3.21Å |
| 82 | L | 96.4 | Very high | 96.1 | Very high | 76 Ų | 76 | 102.2 Ų | 102.2 | 40% | 0.398 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.6 | -42.2 | 178.5 | -176.3 | 65.5 | 0 | 0 | 0 | 112.5 | R78 L79 N84 D85 Q86 | R78-L82 PolarHBondContact O-N 2.95Å; L79-L82 PolarHBondContact O-N 3.27Å; L82-N84 VanDerWaalsContact C-N 3.33Å; L82-N84 PolarHBondContact O-N 3.49Å; L82-D85 PolarHBondContact O-N 3.42Å; L82-Q86 WeakPolarHBondContact O-CG 3.34Å; L82-Q86 PolarHBondContact O-N 3.44Å |
| 83 | I | 96.7 | Very high | 96.2 | Very high | 109 Ų | 109 | 102.4 Ų | 102.4 | 56% | 0.559 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.3 | -41.7 | 175.8 | -70.6 | 167.9 | 0 | 0 | 0 | 110.9 | L79 Q81 Q86 K87 | L79-I83 WeakPolarHBondContact O-CG1 3.48Å; L79-I83 PolarHBondContact O-N 3.04Å; Q81-I83 VanDerWaalsContact C-N 3.32Å; Q81-I83 PolarHBondContact O-N 3.24Å; I83-Q86 PolarHBondContact O-N 3.41Å; I83-K87 WeakPolarHBondContact O-CB 3.28Å; I83-K87 PolarHBondContact O-N 2.9Å |
| 84 | N | 96.5 | Very high | 96.3 | Very high | 84 Ų | 84 | 101.7 Ų | 101.7 | 45% | 0.449 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 177.6 | -173.1 | 61.8 | 0 | 0 | 0 | 111.7 | R80 Q81 L82 K87 N88 | R80-N84 PolarHBondContact O-N 2.79Å; R80-N84 VanDerWaalsContact O-N 3.11Å; Q81-N84 WeakPolarHBondContact O-CB 3.39Å; Q81-N84 PolarHBondContact O-N 3.44Å; L82-N84 VanDerWaalsContact C-N 3.33Å; L82-N84 PolarHBondContact O-N 3.49Å; N84-K87 PolarHBondContact O-N 3.41Å; N84-N88 PolarHBondContact ND2-ND2 3.25Å; N84-N88 PolarHBondContact O-N 2.98Å; N84-N88 PolarHBondContact O-ND2 2.9Å |
| 85 | D | 96.7 | Very high | 96.4 | Very high | 79 Ų | 79 | 98 Ų | 98 | 42% | 0.422 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.7 | -44.2 | 177.5 | -66.2 | -17.2 | 0 | 0 | 0 | 111.4 | Q81 L82 K87 N88 A89 | Q81-D85 PolarHBondContact O-N 3.21Å; L82-D85 PolarHBondContact O-N 3.42Å; D85-K87 PolarHBondContact O-N 2.9Å; D85-N88 PolarHBondContact O-N 3.03Å; D85-A89 PolarHBondContact O-N 2.99Å |
| 86 | Q | 96.5 | Very high | 96.4 | Very high | 116 Ų | 116 | 102.9 Ų | 102.9 | 54% | 0.542 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 173.7 | -74.5 | -178.8 | -11.9 | 0 | 0 | 112.1 | L82 I83 N88 A89 M90 | L82-Q86 WeakPolarHBondContact O-CG 3.34Å; L82-Q86 PolarHBondContact O-N 3.44Å; I83-Q86 PolarHBondContact O-N 3.41Å; Q86-N88 VanDerWaalsContact C-N 3.3Å; Q86-N88 PolarHBondContact O-N 3.04Å; Q86-A89 PolarHBondContact O-N 2.9Å; Q86-M90 WeakPolarHBondContact O-CG 3.41Å; Q86-M90 PolarHBondContact O-N 2.85Å |
| 87 | K | 96.2 | Very high | 96.5 | Very high | 112 Ų | 112 | 105.8 Ų | 105.8 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.3 | -40.6 | 175.5 | -177.7 | 178.5 | 179.8 | 177.4 | 0 | 111.6 | I83 N84 D85 K91 | I83-K87 WeakPolarHBondContact O-CB 3.28Å; I83-K87 PolarHBondContact O-N 2.9Å; N84-K87 PolarHBondContact O-N 3.41Å; D85-K87 PolarHBondContact O-N 2.9Å; K87-K91 WeakPolarHBondContact O-CG 3.48Å; K87-K91 PolarHBondContact O-N 3.24Å; K87-K91 VanDerWaalsContact O-N 3.08Å |
| 88 | N | 95.4 | Very high | 96.4 | Very high | 73 Ų | 73 | 103.8 Ų | 103.8 | 39% | 0.39 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.5 | -41.5 | 177.2 | -68.3 | -26.5 | 0 | 0 | 0 | 111.8 | N84 D85 Q86 K91 L92 | N84-N88 PolarHBondContact ND2-ND2 3.25Å; N84-N88 PolarHBondContact O-N 2.98Å; N84-N88 PolarHBondContact O-ND2 2.9Å; D85-N88 PolarHBondContact O-N 3.03Å; Q86-N88 VanDerWaalsContact C-N 3.3Å; Q86-N88 PolarHBondContact O-N 3.04Å; N88-K91 PolarHBondContact O-N 2.96Å; N88-L92 PolarHBondContact O-N 2.98Å |
| 89 | A | 96.6 | Very high | 96.4 | Very high | 47 Ų | 47 | 102.5 Ų | 102.5 | 39% | 0.388 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.8 | -46.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D85 Q86 K91 L92 I93 | D85-A89 PolarHBondContact O-N 2.99Å; Q86-A89 PolarHBondContact O-N 2.9Å; A89-K91 PolarHBondContact O-N 3.31Å; A89-L92 WeakPolarHBondContact O-CB 3.29Å; A89-L92 PolarHBondContact O-N 2.8Å; A89-I93 WeakPolarHBondContact O-CG1 3.34Å; A89-I93 PolarHBondContact O-N 3.46Å |
| 90 | M | 97.3 | Very high | 96.3 | Very high | 120 Ų | 120 | 103.8 Ų | 103.8 | 59% | 0.591 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62 | -40.7 | 176.9 | -71.7 | -163.4 | -51.4 | 0 | 0 | 112.8 | Q86 L92 I93 T94 | Q86-M90 WeakPolarHBondContact O-CG 3.41Å; Q86-M90 PolarHBondContact O-N 2.85Å; M90-L92 VanDerWaalsContact C-N 3.31Å; M90-L92 PolarHBondContact O-N 3.42Å; M90-I93 PolarHBondContact O-N 2.89Å; M90-T94 WeakPolarHBondContact O-CB 3.41Å; M90-T94 PolarHBondContact O-N 3.48Å; M90-T94 PolarHBondContact O-OG1 2.87Å |
| 91 | K | 96.6 | Very high | 96.2 | Very high | 124 Ų | 124 | 99.5 Ų | 99.5 | 54% | 0.539 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 175 | -76.7 | 175.4 | 176.2 | -177.2 | 0 | 111.8 | K87 N88 A89 T94 S95 | K87-K91 WeakPolarHBondContact O-CG 3.48Å; K87-K91 PolarHBondContact O-N 3.24Å; K87-K91 VanDerWaalsContact O-N 3.08Å; N88-K91 PolarHBondContact O-N 2.96Å; A89-K91 PolarHBondContact O-N 3.31Å; K91-T94 PolarHBondContact O-N 3.36Å; K91-S95 WeakPolarHBondContact O-CB 3.44Å; K91-S95 PolarHBondContact O-N 3.09Å |
| 92 | L | 96.7 | Very high | 96.1 | Very high | 108 Ų | 108 | 97.6 Ų | 97.6 | 57% | 0.565 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.1 | -47.7 | 177.6 | -179.4 | 63.5 | 0 | 0 | 0 | 111.3 | N88 A89 M90 T94 S95 R96 | N88-L92 PolarHBondContact O-N 2.98Å; A89-L92 WeakPolarHBondContact O-CB 3.29Å; A89-L92 PolarHBondContact O-N 2.8Å; M90-L92 VanDerWaalsContact C-N 3.31Å; M90-L92 PolarHBondContact O-N 3.42Å; L92-T94 VanDerWaalsContact C-N 3.34Å; L92-T94 PolarHBondContact O-N 3.2Å; L92-S95 PolarHBondContact O-N 2.7Å; L92-R96 WeakPolarHBondContact O-CG 3.47Å; L92-R96 PolarHBondContact O-N 2.85Å |
| 93 | I | 95.6 | Very high | 96 | Very high | 94 Ų | 94 | 96.3 Ų | 96.3 | 48% | 0.482 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.9 | -49.2 | 177.1 | -69.2 | 167.5 | 0 | 0 | 0 | 110.1 | A89 M90 S95 R96 Y97 | A89-I93 WeakPolarHBondContact O-CG1 3.34Å; A89-I93 PolarHBondContact O-N 3.46Å; M90-I93 PolarHBondContact O-N 2.89Å; I93-S95 VanDerWaalsContact C-N 3.34Å; I93-S95 PolarHBondContact O-N 3.26Å; I93-R96 WeakPolarHBondContact O-CB 3.29Å; I93-R96 PolarHBondContact O-N 3.41Å; I93-R96 VanDerWaalsContact O-N 3.16Å; I93-Y97 HydrophobicContact CG2-CD2 3.6Å; I93-Y97 HydrophobicContact CG2-CE2 3.51Å; I93-Y97 VanDerWaalsContact O-CD2 3.28Å; I93-Y97 WeakPolarHBondContact O-CD2 3.36Å; I93-Y97 PolarHBondContact O-N 2.87Å |
| 94 | T | 97.4 | Very high | 95.8 | Very high | 78 Ų | 78 | 96.6 Ų | 96.6 | 48% | 0.479 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 179.3 | -54.7 | 0 | 0 | 0 | 0 | 111.5 | M90 K91 L92 R96 Y97 I98 | M90-T94 WeakPolarHBondContact O-CB 3.41Å; M90-T94 PolarHBondContact O-N 3.48Å; M90-T94 PolarHBondContact O-OG1 2.87Å; K91-T94 PolarHBondContact O-N 3.36Å; L92-T94 VanDerWaalsContact C-N 3.34Å; L92-T94 PolarHBondContact O-N 3.2Å; T94-R96 VanDerWaalsContact C-N 3.34Å; T94-R96 PolarHBondContact O-N 2.87Å; T94-Y97 PolarHBondContact O-N 2.96Å; T94-I98 HydrophobicContact CG2-CD1 4.09Å; T94-I98 WeakPolarHBondContact O-CG1 3.36Å; T94-I98 PolarHBondContact O-N 3.24Å |
| 95 | S | 96.6 | Very high | 95.6 | Very high | 53 Ų | 53 | 98.7 Ų | 98.7 | 37% | 0.371 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.8 | -42.2 | 175.9 | 179.9 | 0 | 0 | 0 | 0 | 112.3 | K91 L92 I93 I98 Q99 | K91-S95 WeakPolarHBondContact O-CB 3.44Å; K91-S95 PolarHBondContact O-N 3.09Å; L92-S95 PolarHBondContact O-N 2.7Å; I93-S95 VanDerWaalsContact C-N 3.34Å; I93-S95 PolarHBondContact O-N 3.26Å; S95-I98 PolarHBondContact O-N 3.37Å; S95-Q99 WeakPolarHBondContact O-CG 3.29Å; S95-Q99 PolarHBondContact O-N 3.48Å |
| 96 | R | 96.5 | Very high | 95.4 | Very high | 162 Ų | 162 | 104.2 Ų | 104.2 | 61% | 0.611 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.8 | -42 | 175.1 | -69.5 | -66 | -169.1 | -179.1 | 4.5 | 112.3 | L92 I93 T94 Q99 Q100 | L92-R96 WeakPolarHBondContact O-CG 3.47Å; L92-R96 PolarHBondContact O-N 2.85Å; I93-R96 WeakPolarHBondContact O-CB 3.29Å; I93-R96 PolarHBondContact O-N 3.41Å; I93-R96 VanDerWaalsContact O-N 3.16Å; T94-R96 VanDerWaalsContact C-N 3.34Å; T94-R96 PolarHBondContact O-N 2.87Å; R96-Q99 PolarHBondContact O-N 3.1Å; R96-Q100 WeakPolarHBondContact O-CB 3.38Å; R96-Q100 PolarHBondContact O-N 2.65Å |
| 97 | Y | 96.8 | Very high | 95.2 | Very high | 146 Ų | 146 | 103.9 Ų | 103.9 | 57% | 0.573 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.9 | -42.1 | 175.9 | -87.6 | -72.6 | 0 | 0 | 0 | 112.3 | I93 T94 Q100 L101 | I93-Y97 HydrophobicContact CG2-CD2 3.6Å; I93-Y97 HydrophobicContact CG2-CE2 3.51Å; I93-Y97 VanDerWaalsContact O-CD2 3.28Å; I93-Y97 WeakPolarHBondContact O-CD2 3.36Å; I93-Y97 PolarHBondContact O-N 2.87Å; T94-Y97 PolarHBondContact O-N 2.96Å; Y97-Q100 PolarHBondContact O-N 2.9Å; Y97-L101 WeakPolarHBondContact O-CG 3.49Å; Y97-L101 PolarHBondContact O-N 2.81Å |
| 98 | I | 95 | Very high | 95 | Very high | 92 Ų | 92 | 102.3 Ų | 102.3 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.4 | -47.4 | 175.2 | -67.8 | 165.7 | 0 | 0 | 0 | 110.4 | T94 S95 Q100 L101 D102 | T94-I98 HydrophobicContact CG2-CD1 4.09Å; T94-I98 WeakPolarHBondContact O-CG1 3.36Å; T94-I98 PolarHBondContact O-N 3.24Å; S95-I98 PolarHBondContact O-N 3.37Å; I98-Q100 VanDerWaalsContact C-N 3.3Å; I98-Q100 PolarHBondContact O-N 3.49Å; I98-L101 PolarHBondContact O-N 2.87Å; I98-D102 PolarHBondContact O-N 3.45Å |
| 99 | Q | 95.1 | Very high | 94.7 | Very high | 99 Ų | 99 | 101 Ų | 101 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.7 | -40.1 | 176.9 | -71.4 | 172.7 | -0.7 | 0 | 0 | 112.5 | S95 R96 D102 A103 | S95-Q99 WeakPolarHBondContact O-CG 3.29Å; S95-Q99 PolarHBondContact O-N 3.48Å; R96-Q99 PolarHBondContact O-N 3.1Å; Q99-D102 PolarHBondContact O-N 3.29Å; Q99-A103 WeakPolarHBondContact O-CB 3.44Å; Q99-A103 PolarHBondContact O-N 3.02Å |
| 100 | Q | 95.6 | Very high | 94.3 | Very high | 97 Ų | 97 | 106 Ų | 106 | 45% | 0.453 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.3 | -42 | 177.8 | -173.2 | 178.2 | 0.1 | 0 | 0 | 111.5 | R96 Y97 I98 A103 F104 | R96-Q100 WeakPolarHBondContact O-CB 3.38Å; R96-Q100 PolarHBondContact O-N 2.65Å; Y97-Q100 PolarHBondContact O-N 2.9Å; I98-Q100 VanDerWaalsContact C-N 3.3Å; I98-Q100 PolarHBondContact O-N 3.49Å; Q100-A103 PolarHBondContact O-N 2.97Å; Q100-F104 HydrophobicContact CG-CD2 3.91Å; Q100-F104 HydrophobicContact CG-CE2 3.49Å; Q100-F104 VanDerWaalsContact CG-CE2 3.49Å; Q100-F104 HydrophobicContact CG-CZ 4.26Å; Q100-F104 WeakPolarHBondContact O-CD2 3.24Å; Q100-F104 PolarHBondContact O-N 3.48Å |
| 101 | L | 94.7 | Very high | 93.7 | Very high | 95 Ų | 95 | 105.7 Ų | 105.7 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.6 | -46.6 | 173.2 | -72.6 | 172.5 | 0 | 0 | 0 | 110.9 | Y97 I98 A103 F104 H105 | Y97-L101 WeakPolarHBondContact O-CG 3.49Å; Y97-L101 PolarHBondContact O-N 2.81Å; I98-L101 PolarHBondContact O-N 2.87Å; L101-A103 VanDerWaalsContact C-N 3.29Å; L101-A103 PolarHBondContact O-N 3.24Å; L101-F104 PolarHBondContact O-N 3.03Å; L101-F104 VanDerWaalsContact O-N 3.17Å; L101-H105 PolarHBondContact O-N 3.25Å; L101-H105 PolarHBondContact O-ND1 3.49Å |
| 102 | D | 94.3 | Very high | 93.1 | Very high | 86 Ų | 86 | 105.4 Ų | 105.4 | 46% | 0.46 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.9 | -40.3 | 177.1 | -76 | -20.6 | 0 | 0 | 0 | 112.1 | I98 Q99 H105 R106 | I98-D102 PolarHBondContact O-N 3.45Å; Q99-D102 PolarHBondContact O-N 3.29Å; D102-H105 PolarHBondContact O-N 2.94Å; D102-R106 WeakPolarHBondContact O-CG 3.39Å; D102-R106 PolarHBondContact O-N 3.46Å |
| 103 | A | 94 | Very high | 92.5 | Very high | 48 Ų | 48 | 109.3 Ų | 109.3 | 40% | 0.397 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q99 Q100 L101 H105 R106 L107 | Q99-A103 WeakPolarHBondContact O-CB 3.44Å; Q99-A103 PolarHBondContact O-N 3.02Å; Q100-A103 PolarHBondContact O-N 2.97Å; L101-A103 VanDerWaalsContact C-N 3.29Å; L101-A103 PolarHBondContact O-N 3.24Å; A103-H105 PolarHBondContact O-N 3.42Å; A103-R106 PolarHBondContact O-N 2.98Å; A103-L107 WeakPolarHBondContact O-CG 3.27Å; A103-L107 PolarHBondContact O-N 2.9Å |
| 104 | F | 93.1 | Very high | 91.7 | Very high | 115 Ų | 115 | 108.1 Ų | 108.1 | 50% | 0.504 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 175.4 | -74.5 | -51.5 | 0 | 0 | 0 | 112.7 | Q100 L101 R106 L107 N108 | Q100-F104 HydrophobicContact CG-CD2 3.91Å; Q100-F104 HydrophobicContact CG-CE2 3.49Å; Q100-F104 VanDerWaalsContact CG-CE2 3.49Å; Q100-F104 HydrophobicContact CG-CZ 4.26Å; Q100-F104 WeakPolarHBondContact O-CD2 3.24Å; Q100-F104 PolarHBondContact O-N 3.48Å; L101-F104 PolarHBondContact O-N 3.03Å; L101-F104 VanDerWaalsContact O-N 3.17Å; F104-R106 VanDerWaalsContact C-N 3.31Å; F104-R106 PolarHBondContact O-N 3.11Å; F104-L107 PolarHBondContact O-N 2.67Å; F104-N108 VanDerWaalsContact O-CB 3.29Å; F104-N108 WeakPolarHBondContact O-CB 3.31Å; F104-N108 PolarHBondContact O-N 3.34Å |
| 105 | H | 92 | Very high | 90.8 | Very high | 129 Ų | 129 | 109.1 Ų | 109.1 | 60% | 0.597 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61 | -41.5 | 175.5 | -76.6 | 88.4 | 0 | 0 | 0 | 111.5 | L101 D102 A103 A109 | L101-H105 PolarHBondContact O-N 3.25Å; L101-H105 PolarHBondContact O-ND1 3.49Å; D102-H105 PolarHBondContact O-N 2.94Å; A103-H105 PolarHBondContact O-N 3.42Å; H105-A109 VanDerWaalsContact O-CB 3.29Å; H105-A109 WeakPolarHBondContact O-CB 3.45Å; H105-A109 PolarHBondContact O-N 2.88Å |
| 106 | R | 92.1 | Very high | 89.9 | Confident | 194 Ų | 194 | 116.7 Ų | 116.7 | 73% | 0.732 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.2 | -44.7 | 176.1 | -70.8 | 175.1 | -174 | -146.7 | 2.6 | 112.3 | D102 A103 F104 A109 Y110 | D102-R106 WeakPolarHBondContact O-CG 3.39Å; D102-R106 PolarHBondContact O-N 3.46Å; A103-R106 PolarHBondContact O-N 2.98Å; F104-R106 VanDerWaalsContact C-N 3.31Å; F104-R106 PolarHBondContact O-N 3.11Å; R106-A109 PolarHBondContact O-N 3.31Å; R106-Y110 PolarHBondContact O-N 3.11Å |
| 107 | L | 92.1 | Very high | 89 | Confident | 110 Ų | 110 | 112.8 Ų | 112.8 | 58% | 0.576 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62 | -46.6 | 177.2 | -72.8 | 170.3 | 0 | 0 | 0 | 111.6 | A103 F104 A109 Y110 E111 | A103-L107 WeakPolarHBondContact O-CG 3.27Å; A103-L107 PolarHBondContact O-N 2.9Å; F104-L107 PolarHBondContact O-N 2.67Å; L107-A109 VanDerWaalsContact C-N 3.35Å; L107-A109 PolarHBondContact O-N 3.48Å; L107-Y110 WeakPolarHBondContact O-CB 3.48Å; L107-Y110 PolarHBondContact O-N 3.31Å; L107-Y110 VanDerWaalsContact O-N 3.16Å; L107-E111 PolarHBondContact O-N 2.99Å |
| 108 | N | 92.1 | Very high | 87.8 | Confident | 78 Ų | 78 | 111.8 Ų | 111.8 | 42% | 0.417 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.9 | -38.5 | 178 | -167.2 | -14 | 0 | 0 | 0 | 111.6 | F104 Y110 E111 K112 | F104-N108 VanDerWaalsContact O-CB 3.29Å; F104-N108 WeakPolarHBondContact O-CB 3.31Å; F104-N108 PolarHBondContact O-N 3.34Å; N108-Y110 VanDerWaalsContact C-N 3.32Å; N108-Y110 PolarHBondContact O-N 3.31Å; N108-E111 PolarHBondContact O-N 2.99Å; N108-K112 WeakPolarHBondContact O-CB 3.27Å; N108-K112 WeakPolarHBondContact O-CG 3.22Å; N108-K112 PolarHBondContact O-N 3.45Å; N108-K112 WeakPolarHBondContact OD1-CE 3.49Å |
| 109 | A | 89.4 | Confident | 86.1 | Confident | 46 Ų | 46 | 112 Ų | 112 | 38% | 0.38 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.8 | -38.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | H105 R106 L107 R113 | H105-A109 VanDerWaalsContact O-CB 3.29Å; H105-A109 WeakPolarHBondContact O-CB 3.45Å; H105-A109 PolarHBondContact O-N 2.88Å; R106-A109 PolarHBondContact O-N 3.31Å; L107-A109 VanDerWaalsContact C-N 3.35Å; L107-A109 PolarHBondContact O-N 3.48Å; A109-R113 WeakPolarHBondContact O-CG 3.45Å; A109-R113 PolarHBondContact O-N 3.06Å |
| 110 | Y | 86.7 | Confident | 84.1 | Confident | 152 Ų | 152 | 112.6 Ų | 112.6 | 60% | 0.596 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.2 | -46.3 | 174.7 | 179.7 | -103.2 | 0 | 0 | 0 | 111.8 | R106 L107 N108 K112 R113 I114 | R106-Y110 PolarHBondContact O-N 3.11Å; L107-Y110 WeakPolarHBondContact O-CB 3.48Å; L107-Y110 PolarHBondContact O-N 3.31Å; L107-Y110 VanDerWaalsContact O-N 3.16Å; N108-Y110 VanDerWaalsContact C-N 3.32Å; N108-Y110 PolarHBondContact O-N 3.31Å; Y110-K112 PolarHBondContact O-N 3.43Å; Y110-R113 WeakPolarHBondContact O-CB 3.48Å; Y110-R113 PolarHBondContact O-N 3.15Å; Y110-R113 VanDerWaalsContact O-N 3.07Å; Y110-I114 HydrophobicContact CD1-CD1 3.79Å; Y110-I114 HydrophobicContact CE1-CD1 3.22Å; Y110-I114 HydrophobicContact CE1-CG1 4.19Å; Y110-I114 HydrophobicContact CE2-CD1 4.46Å; Y110-I114 PolarHBondContact O-N 3.47Å |
| 111 | E | 85.7 | Confident | 82.1 | Confident | 114 Ų | 114 | 115.9 Ų | 115.9 | 53% | 0.533 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -58.8 | -45.1 | 176.1 | -172.8 | 178.4 | -172.8 | 0 | 0 | 112 | L107 N108 R113 I114 L115 | L107-E111 PolarHBondContact O-N 2.99Å; N108-E111 PolarHBondContact O-N 2.99Å; E111-R113 VanDerWaalsContact C-N 3.26Å; E111-R113 PolarHBondContact O-N 2.93Å; E111-I114 PolarHBondContact O-N 2.9Å; E111-I114 VanDerWaalsContact O-N 3.15Å; E111-L115 HydrophobicContact CG-CD1 4.17Å; E111-L115 WeakPolarHBondContact O-CG 3.41Å; E111-L115 PolarHBondContact O-N 3.03Å |
| 112 | K | 84.5 | Confident | 80.1 | Confident | 118 Ų | 118 | 115.3 Ų | 115.3 | 51% | 0.513 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -58.1 | -36.3 | 173.9 | -76.4 | 179.6 | -176.5 | -179.3 | 0 | 112.8 | N108 Y110 R116 | N108-K112 WeakPolarHBondContact O-CB 3.27Å; N108-K112 WeakPolarHBondContact O-CG 3.22Å; N108-K112 PolarHBondContact O-N 3.45Å; N108-K112 WeakPolarHBondContact OD1-CE 3.49Å; Y110-K112 PolarHBondContact O-N 3.43Å; K112-R116 WeakPolarHBondContact O-CG 3.37Å; K112-R116 PolarHBondContact O-N 3.41Å; K112-R116 VanDerWaalsContact O-N 3.08Å |
| 113 | R | 82.7 | Confident | 78.2 | Confident | 189 Ų | 189 | 118.1 Ų | 118.1 | 71% | 0.713 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69 | -42.5 | 176.2 | -73.5 | 175.7 | -175.6 | -178.4 | 1.4 | 111.5 | A109 Y110 E111 R116 A117 | A109-R113 WeakPolarHBondContact O-CG 3.45Å; A109-R113 PolarHBondContact O-N 3.06Å; Y110-R113 WeakPolarHBondContact O-CB 3.48Å; Y110-R113 PolarHBondContact O-N 3.15Å; Y110-R113 VanDerWaalsContact O-N 3.07Å; E111-R113 VanDerWaalsContact C-N 3.26Å; E111-R113 PolarHBondContact O-N 2.93Å; R113-R116 PolarHBondContact O-N 2.99Å; R113-A117 WeakPolarHBondContact O-CB 3.3Å; R113-A117 PolarHBondContact O-N 3.36Å |
| 114 | I | 78.8 | Confident | 76.4 | Confident | 69 Ų | 69 | 120.5 Ų | 120.5 | 35% | 0.354 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61.6 | -48 | 175 | -67.3 | 174.7 | 0 | 0 | 0 | 110.7 | Y110 E111 R116 A117 N118 | Y110-I114 HydrophobicContact CD1-CD1 3.79Å; Y110-I114 HydrophobicContact CE1-CD1 3.22Å; Y110-I114 HydrophobicContact CE1-CG1 4.19Å; Y110-I114 HydrophobicContact CE2-CD1 4.46Å; Y110-I114 PolarHBondContact O-N 3.47Å; E111-I114 PolarHBondContact O-N 2.9Å; E111-I114 VanDerWaalsContact O-N 3.15Å; I114-R116 VanDerWaalsContact C-N 3.29Å; I114-R116 PolarHBondContact O-N 2.91Å; I114-A117 PolarHBondContact O-N 2.93Å; I114-A117 VanDerWaalsContact O-N 3.09Å; I114-N118 WeakPolarHBondContact CG2-ND2 3.34Å; I114-N118 WeakPolarHBondContact O-CB 3.48Å; I114-N118 PolarHBondContact O-N 3.17Å |
| 115 | L | 78 | Confident | 74.6 | Confident | 100 Ų | 100 | 118.4 Ų | 118.4 | 52% | 0.524 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -57.7 | -41.9 | 178.1 | -77.1 | 165 | 0 | 0 | 0 | 111.7 | E111 K119 | E111-L115 HydrophobicContact CG-CD1 4.17Å; E111-L115 WeakPolarHBondContact O-CG 3.41Å; E111-L115 PolarHBondContact O-N 3.03Å; L115-K119 PolarHBondContact O-N 3.46Å |
| 116 | R | 78 | Confident | 73.5 | Confident | 211 Ų | 211 | 115 Ų | 115 | 80% | 0.796 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.4 | -36.4 | 175 | -75.6 | 179.4 | -176.2 | -174.3 | 0.8 | 113.1 | K112 R113 I114 | K112-R116 WeakPolarHBondContact O-CG 3.37Å; K112-R116 PolarHBondContact O-N 3.41Å; K112-R116 VanDerWaalsContact O-N 3.08Å; R113-R116 PolarHBondContact O-N 2.99Å; I114-R116 VanDerWaalsContact C-N 3.29Å; I114-R116 PolarHBondContact O-N 2.91Å |
| 117 | A | 78.5 | Confident | 72.5 | Confident | 80 Ų | 80 | 112.1 Ų | 112.1 | 66% | 0.661 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -72.1 | -32.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R113 I114 | R113-A117 WeakPolarHBondContact O-CB 3.3Å; R113-A117 PolarHBondContact O-N 3.36Å; I114-A117 PolarHBondContact O-N 2.93Å; I114-A117 VanDerWaalsContact O-N 3.09Å |
| 118 | N | 71.3 | Confident | 71.7 | Confident | 125 Ų | 125 | 114.1 Ų | 114.1 | 67% | 0.668 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -96.8 | -0.9 | -173.7 | -74.1 | -21.3 | 0 | 0 | 0 | 114.8 | I114 P120 | I114-N118 WeakPolarHBondContact CG2-ND2 3.34Å; I114-N118 WeakPolarHBondContact O-CB 3.48Å; I114-N118 PolarHBondContact O-N 3.17Å; N118-P120 WeakPolarHBondContact O-CD 3.36Å |
| 119 | K | 59.9 | Low | 71.1 | Confident | 98 Ų | 98 | 116.2 Ų | 116.2 | 43% | 0.426 | 59% | 0.586 | S | S | . | * | trans | -85.8 | 109.7 | -179.7 | -151.7 | 175.4 | -173 | -175.4 | 0 | 110 | L115 M121 D126 | L115-K119 PolarHBondContact O-N 3.46Å; K119-M121 PolarHBondContact O-N 3.33Å; K119-D126 IonicContact NZ-OD1 3.67Å; K119-D126 PolarHBondContact NZ-OD1 2.93Å | ||
| 120 | P | 52.8 | Low | 70.8 | Confident | 110 Ų | 110 | 118.4 Ų | 118.4 | 71% | 0.714 | 59% | 0.591 | S | S | * | * | trans | -64.3 | 132.4 | 168.7 | 26.8 | -32.1 | 0 | 0 | 0 | 108.6 | N118 S122 | N118-P120 WeakPolarHBondContact O-CD 3.36Å; P120-S122 VanDerWaalsContact C-N 3.26Å; P120-S122 PolarHBondContact O-N 3.48Å | ||
| 121 | M | 52.7 | Low | 70.6 | Confident | 167 Ų | 167 | 115.7 Ų | 115.7 | 82% | 0.823 | 59% | 0.587 | S | S | * | * | trans | -65.5 | 78.5 | -175.1 | -155 | -174.5 | -166 | 0 | 0 | 110.6 | K119 | K119-M121 PolarHBondContact O-N 3.33Š| ||
| 122 | S | 53.3 | Low | 70.6 | Confident | 83 Ų | 83 | 113.5 Ų | 113.5 | 58% | 0.58 | 58% | 0.584 | S | S | * | * | trans | -115.9 | 103.7 | 169.4 | -173.7 | 0 | 0 | 0 | 0 | 108.2 | P120 S124 | P120-S122 VanDerWaalsContact C-N 3.26Å; P120-S122 PolarHBondContact O-N 3.48Å; S122-S124 VanDerWaalsContact C-N 3.33Å; S122-S124 PolarHBondContact O-N 2.95Å | ||
| 123 | Q | 55.4 | Low | 70.7 | Confident | 145 Ų | 145 | 111.3 Ų | 111.3 | 68% | 0.678 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 2.7 | -154.1 | -70 | 172.6 | -12.4 | 0 | 0 | 116.3 | ||
| 124 | S | 54.4 | Low | 70.8 | Confident | 98 Ų | 98 | 105.1 Ų | 105.1 | 69% | 0.685 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -32.4 | -177.6 | 56.9 | 0 | 0 | 0 | 0 | 114.1 | S122 D126 | S122-S124 VanDerWaalsContact C-N 3.33Å; S122-S124 PolarHBondContact O-N 2.95Å; S124-D126 VanDerWaalsContact C-N 3.34Å |
| 125 | C | 56.9 | Low | 71.4 | Confident | 71 Ų | 71 | 106.2 Ų | 106.2 | 48% | 0.48 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -79.1 | -17.2 | -178.3 | -168.1 | 0 | 0 | 0 | 0 | 113 | Y129 | C125-Y129 WeakPolarHBondContact O-CB 3.43Å; C125-Y129 PolarHBondContact O-N 3.08Å |
| 126 | D | 68 | Low | 71.9 | Confident | 56 Ų | 56 | 107.6 Ų | 107.6 | 30% | 0.299 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.2 | -36.1 | -179.9 | -80.6 | -27.6 | 0 | 0 | 0 | 112.5 | K119 S124 I130 | K119-D126 IonicContact NZ-OD1 3.67Å; K119-D126 PolarHBondContact NZ-OD1 2.93Å; S124-D126 VanDerWaalsContact C-N 3.34Å; D126-I130 HydrophobicContact CB-CD1 4.36Å; D126-I130 WeakPolarHBondContact O-CB 3.44Å; D126-I130 WeakPolarHBondContact O-CD1 3.46Å; D126-I130 WeakPolarHBondContact O-CG1 3.41Å; D126-I130 PolarHBondContact O-N 3.47Å |
| 127 | L | 71.4 | Confident | 72.5 | Confident | 135 Ų | 135 | 101.3 Ų | 101.3 | 71% | 0.707 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -69.1 | -45.3 | -177.3 | -163.5 | 73.5 | 0 | 0 | 0 | 111.7 | I130 N131 | L127-I130 PolarHBondContact O-N 3.22Å; L127-N131 VanDerWaalsContact O-CB 3.23Å; L127-N131 WeakPolarHBondContact O-CB 3.36Å; L127-N131 PolarHBondContact O-N 3.19Å |
| 128 | E | 76.1 | Confident | 73 | Confident | 151 Ų | 151 | 102.6 Ų | 102.6 | 71% | 0.706 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65 | -41.5 | 178 | -70.7 | -176.1 | 167.8 | 0 | 0 | 112.3 | N131 S132 | E128-N131 PolarHBondContact O-N 2.71Å; E128-S132 VanDerWaalsContact O-CB 3.28Å; E128-S132 WeakPolarHBondContact O-CB 3.38Å; E128-S132 PolarHBondContact O-N 2.81Å |
| 129 | Y | 79.6 | Confident | 73.8 | Confident | 122 Ų | 122 | 100.2 Ų | 100.2 | 48% | 0.478 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.3 | -42.1 | 176.8 | -179.2 | -104.1 | 0 | 0 | 0 | 112.1 | C125 N131 S132 L133 | C125-Y129 WeakPolarHBondContact O-CB 3.43Å; C125-Y129 PolarHBondContact O-N 3.08Å; Y129-N131 VanDerWaalsContact C-N 3.34Å; Y129-S132 WeakPolarHBondContact O-CB 3.36Å; Y129-S132 PolarHBondContact O-N 2.87Å; Y129-L133 HydrophobicContact CD1-CD1 3.85Å; Y129-L133 HydrophobicContact CD1-CG 4.4Å; Y129-L133 HydrophobicContact CE1-CD1 3.26Å; Y129-L133 HydrophobicContact CE1-CG 3.97Å; Y129-L133 HydrophobicContact CE2-CG 4.43Å; Y129-L133 WeakPolarHBondContact O-CB 3.21Å; Y129-L133 WeakPolarHBondContact O-CG 3.49Å; Y129-L133 PolarHBondContact O-N 3.31Å |
| 130 | I | 81.5 | Confident | 75.2 | Confident | 92 Ų | 92 | 101.9 Ų | 101.9 | 47% | 0.472 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 173.9 | -71.3 | 167.1 | 0 | 0 | 0 | 109.8 | D126 L127 S132 L133 V134 | D126-I130 HydrophobicContact CB-CD1 4.36Å; D126-I130 WeakPolarHBondContact O-CB 3.44Å; D126-I130 WeakPolarHBondContact O-CD1 3.46Å; D126-I130 WeakPolarHBondContact O-CG1 3.41Å; D126-I130 PolarHBondContact O-N 3.47Å; L127-I130 PolarHBondContact O-N 3.22Å; I130-S132 VanDerWaalsContact C-N 3.34Å; I130-S132 PolarHBondContact O-N 3.43Å; I130-L133 PolarHBondContact O-N 3.03Å; I130-V134 HydrophobicContact CG2-CG2 4.23Å; I130-V134 WeakPolarHBondContact O-CB 3.39Å; I130-V134 VanDerWaalsContact O-CG2 3.24Å; I130-V134 WeakPolarHBondContact O-CG2 3.36Å; I130-V134 PolarHBondContact O-N 2.95Å |
| 131 | N | 82.7 | Confident | 76.9 | Confident | 95 Ų | 95 | 101.1 Ų | 101.1 | 51% | 0.508 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65 | -39.5 | 179.2 | -149.6 | 23.9 | 0 | 0 | 0 | 111.4 | L127 E128 Y129 V134 N135 | L127-N131 VanDerWaalsContact O-CB 3.23Å; L127-N131 WeakPolarHBondContact O-CB 3.36Å; L127-N131 PolarHBondContact O-N 3.19Å; E128-N131 PolarHBondContact O-N 2.71Å; Y129-N131 VanDerWaalsContact C-N 3.34Å; N131-V134 PolarHBondContact O-N 3.36Å; N131-N135 WeakPolarHBondContact O-CB 3.46Å; N131-N135 PolarHBondContact O-N 3.28Å; N131-N135 PolarHBondContact O-ND2 2.76Å |
| 132 | S | 85.9 | Confident | 78.6 | Confident | 68 Ų | 68 | 97.4 Ų | 97.4 | 48% | 0.476 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.2 | -47.1 | 170.5 | 161 | 0 | 0 | 0 | 0 | 112.2 | E128 Y129 I130 N135 F136 | E128-S132 VanDerWaalsContact O-CB 3.28Å; E128-S132 WeakPolarHBondContact O-CB 3.38Å; E128-S132 PolarHBondContact O-N 2.81Å; Y129-S132 WeakPolarHBondContact O-CB 3.36Å; Y129-S132 PolarHBondContact O-N 2.87Å; I130-S132 VanDerWaalsContact C-N 3.34Å; I130-S132 PolarHBondContact O-N 3.43Å; S132-N135 PolarHBondContact O-N 3.4Å; S132-F136 WeakPolarHBondContact O-CB 3.3Å; S132-F136 PolarHBondContact O-N 3.43Å |
| 133 | L | 86.2 | Confident | 80.2 | Confident | 73 Ų | 73 | 97.7 Ų | 97.7 | 38% | 0.382 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 176.1 | -79.9 | 177.5 | 0 | 0 | 0 | 112.2 | Y129 I130 N135 F136 V137 | Y129-L133 HydrophobicContact CD1-CD1 3.85Å; Y129-L133 HydrophobicContact CD1-CG 4.4Å; Y129-L133 HydrophobicContact CE1-CD1 3.26Å; Y129-L133 HydrophobicContact CE1-CG 3.97Å; Y129-L133 HydrophobicContact CE2-CG 4.43Å; Y129-L133 WeakPolarHBondContact O-CB 3.21Å; Y129-L133 WeakPolarHBondContact O-CG 3.49Å; Y129-L133 PolarHBondContact O-N 3.31Å; I130-L133 PolarHBondContact O-N 3.03Å; L133-N135 VanDerWaalsContact C-N 3.35Å; L133-F136 PolarHBondContact O-N 3.32Å; L133-V137 WeakPolarHBondContact O-CB 3.33Å; L133-V137 VanDerWaalsContact O-CG2 3.26Å; L133-V137 WeakPolarHBondContact O-CG2 3.19Å; L133-V137 PolarHBondContact O-N 2.88Å |
| 134 | V | 85.7 | Confident | 81.7 | Confident | 59 Ų | 59 | 94 Ų | 94 | 36% | 0.358 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 176 | 170.3 | 0 | 0 | 0 | 0 | 109.9 | I130 N131 F136 V137 H138 | I130-V134 HydrophobicContact CG2-CG2 4.23Å; I130-V134 WeakPolarHBondContact O-CB 3.39Å; I130-V134 VanDerWaalsContact O-CG2 3.24Å; I130-V134 WeakPolarHBondContact O-CG2 3.36Å; I130-V134 PolarHBondContact O-N 2.95Å; N131-V134 PolarHBondContact O-N 3.36Å; V134-F136 PolarHBondContact O-N 2.76Å; V134-V137 PolarHBondContact O-N 2.91Å; V134-H138 PolarHBondContact O-N 3.38Å; V134-H138 PolarHBondContact O-ND1 3.05Å |
| 135 | N | 90.3 | Very high | 83.2 | Confident | 91 Ų | 91 | 94.7 Ų | 94.7 | 49% | 0.487 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 175.6 | -71.6 | -19.2 | 0 | 0 | 0 | 112.2 | N131 S132 L133 H138 S139 | N131-N135 WeakPolarHBondContact O-CB 3.46Å; N131-N135 PolarHBondContact O-N 3.28Å; N131-N135 PolarHBondContact O-ND2 2.76Å; S132-N135 PolarHBondContact O-N 3.4Å; L133-N135 VanDerWaalsContact C-N 3.35Å; N135-H138 PolarHBondContact O-N 3.46Å; N135-S139 WeakPolarHBondContact O-CB 3.41Å; N135-S139 PolarHBondContact O-N 2.95Å; N135-S139 PolarHBondContact O-OG 2.93Å |
| 136 | F | 90.4 | Very high | 84.7 | Confident | 130 Ų | 130 | 95.1 Ų | 95.1 | 57% | 0.57 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.7 | -45.5 | 174.6 | 174.6 | -96.4 | 0 | 0 | 0 | 111.7 | S132 L133 V134 H138 S139 F140 | S132-F136 WeakPolarHBondContact O-CB 3.3Å; S132-F136 PolarHBondContact O-N 3.43Å; L133-F136 PolarHBondContact O-N 3.32Å; V134-F136 PolarHBondContact O-N 2.76Å; F136-H138 VanDerWaalsContact C-N 3.33Å; F136-H138 PolarHBondContact O-N 3.2Å; F136-S139 PolarHBondContact O-N 2.89Å; F136-F140 VanDerWaalsContact O-CB 3.24Å; F136-F140 WeakPolarHBondContact O-CB 3.48Å; F136-F140 PolarHBondContact O-N 3.23Å |
| 137 | V | 90.5 | Very high | 85.5 | Confident | 78 Ų | 78 | 94.1 Ų | 94.1 | 47% | 0.473 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 177.2 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | L133 V134 F140 Q141 | L133-V137 WeakPolarHBondContact O-CB 3.33Å; L133-V137 VanDerWaalsContact O-CG2 3.26Å; L133-V137 WeakPolarHBondContact O-CG2 3.19Å; L133-V137 PolarHBondContact O-N 2.88Å; V134-V137 PolarHBondContact O-N 2.91Å; V137-F140 PolarHBondContact O-N 2.88Å; V137-Q141 VanDerWaalsContact O-CB 3.28Å; V137-Q141 WeakPolarHBondContact O-CB 3.34Å; V137-Q141 PolarHBondContact O-N 3.34Å |
| 138 | H | 88 | Confident | 86.3 | Confident | 107 Ų | 107 | 92.7 Ų | 92.7 | 50% | 0.495 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.7 | -46.8 | 176.2 | -75.2 | 48.6 | 0 | 0 | 0 | 110.8 | V134 N135 F136 F140 Q141 D142 | V134-H138 PolarHBondContact O-N 3.38Å; V134-H138 PolarHBondContact O-ND1 3.05Å; N135-H138 PolarHBondContact O-N 3.46Å; F136-H138 VanDerWaalsContact C-N 3.33Å; F136-H138 PolarHBondContact O-N 3.2Å; H138-F140 VanDerWaalsContact C-N 3.32Å; H138-F140 PolarHBondContact O-N 3.42Å; H138-Q141 PolarHBondContact O-N 3.42Å; H138-D142 WeakPolarHBondContact O-CB 3.46Å; H138-D142 PolarHBondContact O-N 3.42Å |
| 139 | S | 88.7 | Confident | 86.8 | Confident | 76 Ų | 76 | 92.1 Ų | 92.1 | 53% | 0.531 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.1 | -39.9 | 177.5 | -57.5 | 0 | 0 | 0 | 0 | 112 | N135 F136 C143 | N135-S139 WeakPolarHBondContact O-CB 3.41Å; N135-S139 PolarHBondContact O-N 2.95Å; N135-S139 PolarHBondContact O-OG 2.93Å; F136-S139 PolarHBondContact O-N 2.89Å; S139-C143 WeakPolarHBondContact O-CB 3.36Å; S139-C143 PolarHBondContact O-N 2.96Å |
| 140 | F | 89.3 | Confident | 87.2 | Confident | 132 Ų | 132 | 88.2 Ų | 88.2 | 58% | 0.579 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -67 | -42.6 | 175.6 | -178.1 | -93.2 | 0 | 0 | 0 | 111.6 | F136 V137 H138 C143 S144 | F136-F140 VanDerWaalsContact O-CB 3.24Å; F136-F140 WeakPolarHBondContact O-CB 3.48Å; F136-F140 PolarHBondContact O-N 3.23Å; V137-F140 PolarHBondContact O-N 2.88Å; H138-F140 VanDerWaalsContact C-N 3.32Å; H138-F140 PolarHBondContact O-N 3.42Å; F140-C143 PolarHBondContact O-N 3.23Å; F140-S144 VanDerWaalsContact O-CB 3.26Å; F140-S144 WeakPolarHBondContact O-CB 3.28Å; F140-S144 PolarHBondContact O-N 3.43Å |
| 141 | Q | 88.3 | Confident | 87.5 | Confident | 94 Ų | 94 | 87.3 Ų | 87.3 | 44% | 0.439 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.6 | -39.6 | 178.1 | -170.2 | 174.7 | 4.4 | 0 | 0 | 111.6 | V137 H138 S144 K145 | V137-Q141 VanDerWaalsContact O-CB 3.28Å; V137-Q141 WeakPolarHBondContact O-CB 3.34Å; V137-Q141 PolarHBondContact O-N 3.34Å; H138-Q141 PolarHBondContact O-N 3.42Å; Q141-S144 PolarHBondContact O-N 3.47Å; Q141-K145 HydrophobicContact CG-CD 4.48Å; Q141-K145 WeakPolarHBondContact O-CB 3.26Å; Q141-K145 WeakPolarHBondContact O-CG 3.28Å; Q141-K145 PolarHBondContact O-N 2.81Å |
| 142 | D | 88.9 | Confident | 87.9 | Confident | 89 Ų | 89 | 87.5 Ų | 87.5 | 48% | 0.476 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67 | -44.6 | 174.3 | -75.1 | -14.9 | 0 | 0 | 0 | 111.4 | H138 S144 K145 N146 | H138-D142 WeakPolarHBondContact O-CB 3.46Å; H138-D142 PolarHBondContact O-N 3.42Å; D142-S144 VanDerWaalsContact C-N 3.31Å; D142-S144 PolarHBondContact O-N 2.85Å; D142-K145 PolarHBondContact O-N 2.93Å; D142-N146 WeakPolarHBondContact O-CB 3.34Å; D142-N146 PolarHBondContact O-N 3.49Å; D142-N146 PolarHBondContact O-ND2 2.94Å |
| 143 | C | 85.9 | Confident | 88.3 | Confident | 89 Ų | 89 | 90.3 Ų | 90.3 | 60% | 0.601 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60.1 | -41.5 | 173.8 | -175.1 | 0 | 0 | 0 | 0 | 111.6 | S139 F140 G147 | S139-C143 WeakPolarHBondContact O-CB 3.36Å; S139-C143 PolarHBondContact O-N 2.96Å; F140-C143 PolarHBondContact O-N 3.23Å; C143-G147 WeakPolarHBondContact O-CA 3.35Å; C143-G147 PolarHBondContact O-N 3.16Å |
| 144 | S | 88 | Confident | 88.6 | Confident | 69 Ų | 69 | 92.3 Ų | 92.3 | 48% | 0.483 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.8 | -44.2 | 177.5 | 179.2 | 0 | 0 | 0 | 0 | 112.1 | F140 Q141 D142 L148 | F140-S144 VanDerWaalsContact O-CB 3.26Å; F140-S144 WeakPolarHBondContact O-CB 3.28Å; F140-S144 PolarHBondContact O-N 3.43Å; Q141-S144 PolarHBondContact O-N 3.47Å; D142-S144 VanDerWaalsContact C-N 3.31Å; D142-S144 PolarHBondContact O-N 2.85Å; S144-L148 VanDerWaalsContact O-CB 3.3Å; S144-L148 WeakPolarHBondContact O-CB 3.47Å; S144-L148 PolarHBondContact O-N 2.97Å |
| 145 | K | 85.8 | Confident | 88.9 | Confident | 111 Ų | 111 | 95 Ų | 95 | 48% | 0.483 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.4 | -42 | 177.6 | -74.1 | 176.7 | -178.4 | 174.1 | 0 | 112.6 | Q141 D142 R149 | Q141-K145 HydrophobicContact CG-CD 4.48Å; Q141-K145 WeakPolarHBondContact O-CB 3.26Å; Q141-K145 WeakPolarHBondContact O-CG 3.28Å; Q141-K145 PolarHBondContact O-N 2.81Å; D142-K145 PolarHBondContact O-N 2.93Å; K145-R149 PolarHBondContact O-N 2.86Å |
| 146 | N | 86.7 | Confident | 89 | Confident | 81 Ų | 81 | 97.7 Ų | 97.7 | 43% | 0.433 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -72.2 | -38.3 | 179.3 | -65.9 | -19.7 | 0 | 0 | 0 | 111.1 | D142 R149 A150 | D142-N146 WeakPolarHBondContact O-CB 3.34Å; D142-N146 PolarHBondContact O-N 3.49Å; D142-N146 PolarHBondContact O-ND2 2.94Å; N146-R149 PolarHBondContact O-N 2.83Å; N146-R149 PolarHBondContact OD1-NH2 3.4Å; N146-A150 WeakPolarHBondContact O-CB 3.33Å; N146-A150 PolarHBondContact O-N 3.45Å |
| 147 | G | 86.2 | Confident | 89.2 | Confident | 34 Ų | 34 | 95.5 Ų | 95.5 | 35% | 0.351 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.8 | -39.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | C143 C151 | C143-G147 WeakPolarHBondContact O-CA 3.35Å; C143-G147 PolarHBondContact O-N 3.16Å; G147-C151 WeakPolarHBondContact O-CB 3.2Å; G147-C151 PolarHBondContact O-N 2.8Å; G147-C151 PolarHBondContact O-SG 3.4Å; G147-C151 VanDerWaalsContact O-SG 3.36Å |
| 148 | L | 86.5 | Confident | 89.4 | Confident | 105 Ų | 105 | 98.2 Ų | 98.2 | 55% | 0.55 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.1 | -47.4 | 174.1 | -173.3 | 66.3 | 0 | 0 | 0 | 111.5 | S144 A150 C151 E152 | S144-L148 VanDerWaalsContact O-CB 3.3Å; S144-L148 WeakPolarHBondContact O-CB 3.47Å; S144-L148 PolarHBondContact O-N 2.97Å; L148-A150 PolarHBondContact O-N 3.29Å; L148-C151 WeakPolarHBondContact O-CB 3.37Å; L148-C151 PolarHBondContact O-N 3.03Å; L148-C151 VanDerWaalsContact O-N 3.17Å; L148-E152 WeakPolarHBondContact O-CG 3.33Å; L148-E152 PolarHBondContact O-N 3.33Å |
| 149 | R | 87.1 | Confident | 89.6 | Confident | 139 Ų | 139 | 94.7 Ų | 94.7 | 53% | 0.525 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.2 | -45.3 | 175.4 | -79.9 | -170.9 | -74.4 | -178.6 | -3.3 | 112.6 | K145 N146 C151 E152 E153 | K145-R149 PolarHBondContact O-N 2.86Å; N146-R149 PolarHBondContact O-N 2.83Å; N146-R149 PolarHBondContact OD1-NH2 3.4Å; R149-C151 VanDerWaalsContact C-N 3.28Å; R149-C151 PolarHBondContact O-N 3.2Å; R149-E152 PolarHBondContact O-N 2.87Å; R149-E152 VanDerWaalsContact O-N 3.15Å; R149-E153 WeakPolarHBondContact O-CG 3.24Å; R149-E153 PolarHBondContact O-N 3.47Å |
| 150 | A | 87.5 | Confident | 89.9 | Confident | 41 Ų | 41 | 96.3 Ų | 96.3 | 34% | 0.339 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.2 | -37.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | N146 L148 I154 | N146-A150 WeakPolarHBondContact O-CB 3.33Å; N146-A150 PolarHBondContact O-N 3.45Å; L148-A150 PolarHBondContact O-N 3.29Å; A150-I154 WeakPolarHBondContact O-CB 3.36Å; A150-I154 WeakPolarHBondContact O-CD1 3.45Å; A150-I154 WeakPolarHBondContact O-CG1 3.35Å; A150-I154 PolarHBondContact O-N 3.39Å |
| 151 | C | 88.8 | Confident | 90.2 | Very high | 73 Ų | 73 | 93.4 Ų | 93.4 | 49% | 0.493 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.3 | -40.9 | 173.8 | -78 | 0 | 0 | 0 | 0 | 112.5 | G147 L148 R149 I154 L155 | G147-C151 WeakPolarHBondContact O-CB 3.2Å; G147-C151 PolarHBondContact O-N 2.8Å; G147-C151 PolarHBondContact O-SG 3.4Å; G147-C151 VanDerWaalsContact O-SG 3.36Å; L148-C151 WeakPolarHBondContact O-CB 3.37Å; L148-C151 PolarHBondContact O-N 3.03Å; L148-C151 VanDerWaalsContact O-N 3.17Å; R149-C151 VanDerWaalsContact C-N 3.28Å; R149-C151 PolarHBondContact O-N 3.2Å; C151-I154 PolarHBondContact O-N 2.88Å; C151-L155 WeakPolarHBondContact O-CB 3.47Å; C151-L155 VanDerWaalsContact O-CG 3.3Å; C151-L155 WeakPolarHBondContact O-CG 3.26Å; C151-L155 PolarHBondContact O-N 3.38Å |
| 152 | E | 91.7 | Very high | 90.5 | Very high | 98 Ų | 98 | 92.8 Ų | 92.8 | 46% | 0.458 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.3 | -46.6 | 175.5 | -72.3 | 170.5 | 165.3 | 0 | 0 | 111 | L148 R149 I154 L155 E156 | L148-E152 WeakPolarHBondContact O-CG 3.33Å; L148-E152 PolarHBondContact O-N 3.33Å; R149-E152 PolarHBondContact O-N 2.87Å; R149-E152 VanDerWaalsContact O-N 3.15Å; E152-I154 PolarHBondContact O-N 2.89Å; E152-L155 PolarHBondContact O-N 3.27Å; E152-L155 VanDerWaalsContact O-N 3.11Å; E152-E156 WeakPolarHBondContact O-CG 3.24Å; E152-E156 PolarHBondContact O-N 2.73Å |
| 153 | E | 92.8 | Very high | 90.6 | Very high | 127 Ų | 127 | 95 Ų | 95 | 59% | 0.593 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58.9 | -43.6 | 175.5 | -71.5 | 170 | -173.8 | 0 | 0 | 112.1 | R149 L155 E156 E157 | R149-E153 WeakPolarHBondContact O-CG 3.24Å; R149-E153 PolarHBondContact O-N 3.47Å; E153-L155 VanDerWaalsContact C-N 3.33Å; E153-L155 PolarHBondContact O-N 2.94Å; E153-E156 PolarHBondContact O-N 3.43Å; E153-E157 WeakPolarHBondContact O-CB 3.18Å; E153-E157 PolarHBondContact O-N 2.78Å |
| 154 | I | 93 | Very high | 91 | Very high | 115 Ų | 115 | 94.6 Ų | 94.6 | 59% | 0.59 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.3 | -37.9 | 175.9 | -70.5 | 165.9 | 0 | 0 | 0 | 111.4 | A150 C151 E152 K158 | A150-I154 WeakPolarHBondContact O-CB 3.36Å; A150-I154 WeakPolarHBondContact O-CD1 3.45Å; A150-I154 WeakPolarHBondContact O-CG1 3.35Å; A150-I154 PolarHBondContact O-N 3.39Å; C151-I154 PolarHBondContact O-N 2.88Å; E152-I154 PolarHBondContact O-N 2.89Å; I154-K158 WeakPolarHBondContact O-CB 3.45Å; I154-K158 PolarHBondContact O-N 3.23Å |
| 155 | L | 92.1 | Very high | 91.1 | Very high | 115 Ų | 115 | 95.6 Ų | 95.6 | 60% | 0.602 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -69.7 | -40.7 | 178.2 | -76 | 171.8 | 0 | 0 | 0 | 112 | C151 E152 E153 K158 G159 | C151-L155 WeakPolarHBondContact O-CB 3.47Å; C151-L155 VanDerWaalsContact O-CG 3.3Å; C151-L155 WeakPolarHBondContact O-CG 3.26Å; C151-L155 PolarHBondContact O-N 3.38Å; E152-L155 PolarHBondContact O-N 3.27Å; E152-L155 VanDerWaalsContact O-N 3.11Å; E153-L155 VanDerWaalsContact C-N 3.33Å; E153-L155 PolarHBondContact O-N 2.94Å; L155-K158 PolarHBondContact O-N 3.34Å; L155-G159 PolarHBondContact O-N 3.45Å |
| 156 | E | 93.3 | Very high | 91.3 | Very high | 149 Ų | 149 | 93 Ų | 93 | 70% | 0.696 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.3 | -47.4 | 173.7 | -73.9 | -176.7 | 177.6 | 0 | 0 | 111.2 | E152 E153 K158 G159 R160 | E152-E156 WeakPolarHBondContact O-CG 3.24Å; E152-E156 PolarHBondContact O-N 2.73Å; E153-E156 PolarHBondContact O-N 3.43Å; E156-K158 PolarHBondContact O-N 2.89Å; E156-G159 WeakPolarHBondContact O-CA 3.5Å; E156-G159 PolarHBondContact O-N 3.36Å; E156-G159 VanDerWaalsContact O-N 3.1Å; E156-R160 PolarHBondContact O-N 3.38Å |
| 157 | E | 94.2 | Very high | 91.4 | Very high | 83 Ų | 83 | 91.7 Ų | 91.7 | 39% | 0.388 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.2 | -41.7 | 178.3 | -178.9 | 60.7 | -172 | 0 | 0 | 111.6 | E153 G159 R160 L161 | E153-E157 WeakPolarHBondContact O-CB 3.18Å; E153-E157 PolarHBondContact O-N 2.78Å; E157-G159 VanDerWaalsContact C-N 3.29Å; E157-G159 PolarHBondContact O-N 2.87Å; E157-R160 WeakPolarHBondContact O-CB 3.46Å; E157-R160 PolarHBondContact O-N 3.33Å; E157-R160 IonicContact OE1-CZ 3.92Å; E157-R160 IonicContact OE1-NE 3.59Å; E157-R160 IonicContact OE1-NH2 3.65Å; E157-R160 PolarHBondContact OE1-NH2 3.3Å; E157-R160 IonicContact OE2-CZ 3.72Å; E157-R160 IonicContact OE2-NE 3.51Å; E157-R160 PolarHBondContact OE2-NE 2.87Å; E157-R160 IonicContact OE2-NH2 2.8Å; E157-L161 HydrophobicContact CG-CD1 4.18Å; E157-L161 WeakPolarHBondContact O-CB 3.29Å; E157-L161 WeakPolarHBondContact O-CG 3.33Å; E157-L161 PolarHBondContact O-N 3.24Å |
| 158 | K | 94.4 | Very high | 91.4 | Very high | 136 Ų | 136 | 94.2 Ų | 94.2 | 59% | 0.591 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.2 | -40.8 | 172.2 | -177.6 | -178.4 | 176.3 | -176.8 | 0 | 111.4 | I154 L155 E156 T162 | I154-K158 WeakPolarHBondContact O-CB 3.45Å; I154-K158 PolarHBondContact O-N 3.23Å; L155-K158 PolarHBondContact O-N 3.34Å; E156-K158 PolarHBondContact O-N 2.89Å; K158-T162 VanDerWaalsContact O-CB 3.27Å; K158-T162 WeakPolarHBondContact O-CB 3.46Å; K158-T162 PolarHBondContact O-N 2.93Å; K158-T162 PolarHBondContact O-OG1 3.28Å |
| 159 | G | 93.3 | Very high | 91.3 | Very high | 32 Ų | 32 | 95.3 Ų | 95.3 | 33% | 0.33 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.5 | -48 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | L155 E156 E157 T162 M163 | L155-G159 PolarHBondContact O-N 3.45Å; E156-G159 WeakPolarHBondContact O-CA 3.5Å; E156-G159 PolarHBondContact O-N 3.36Å; E156-G159 VanDerWaalsContact O-N 3.1Å; E157-G159 VanDerWaalsContact C-N 3.29Å; E157-G159 PolarHBondContact O-N 2.87Å; G159-T162 WeakPolarHBondContact O-CB 3.28Å; G159-T162 PolarHBondContact O-N 3.03Å; G159-M163 PolarHBondContact O-N 3.39Å |
| 160 | R | 95 | Very high | 91 | Very high | 111 Ų | 111 | 95 Ų | 95 | 42% | 0.419 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.7 | -51.8 | 175.9 | -168.5 | -171.1 | 71.4 | 72.5 | 1.8 | 111.7 | E156 E157 T162 M163 E164 | E156-R160 PolarHBondContact O-N 3.38Å; E157-R160 WeakPolarHBondContact O-CB 3.46Å; E157-R160 PolarHBondContact O-N 3.33Å; E157-R160 IonicContact OE1-CZ 3.92Å; E157-R160 IonicContact OE1-NE 3.59Å; E157-R160 IonicContact OE1-NH2 3.65Å; E157-R160 PolarHBondContact OE1-NH2 3.3Å; E157-R160 IonicContact OE2-CZ 3.72Å; E157-R160 IonicContact OE2-NE 3.51Å; E157-R160 PolarHBondContact OE2-NE 2.87Å; E157-R160 IonicContact OE2-NH2 2.8Å; R160-T162 VanDerWaalsContact C-N 3.27Å; R160-T162 PolarHBondContact O-N 3.43Å; R160-M163 PolarHBondContact O-N 2.8Å; R160-E164 IonicContact CZ-OE2 3.68Å; R160-E164 IonicContact NH1-OE2 3.4Å; R160-E164 PolarHBondContact NH1-OE2 2.96Å; R160-E164 IonicContact NH2-OE2 2.81Å; R160-E164 WeakPolarHBondContact O-CB 3.49Å; R160-E164 PolarHBondContact O-N 3.5Å |
| 161 | L | 94.5 | Very high | 90.8 | Very high | 70 Ų | 70 | 99 Ų | 99 | 37% | 0.366 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.8 | -30.9 | 177.6 | -71.9 | 172.9 | 0 | 0 | 0 | 112.6 | E157 N165 | E157-L161 HydrophobicContact CG-CD1 4.18Å; E157-L161 WeakPolarHBondContact O-CB 3.29Å; E157-L161 WeakPolarHBondContact O-CG 3.33Å; E157-L161 PolarHBondContact O-N 3.24Å; L161-N165 VanDerWaalsContact O-CB 3.24Å; L161-N165 WeakPolarHBondContact O-CB 3.23Å; L161-N165 VanDerWaalsContact O-CG 3.26Å; L161-N165 PolarHBondContact O-N 3.37Å; L161-N165 PolarHBondContact O-ND2 2.85Å |
| 162 | T | 94.5 | Very high | 90.3 | Very high | 82 Ų | 82 | 102.3 Ų | 102.3 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.7 | -42.9 | 176.1 | -60.8 | 0 | 0 | 0 | 0 | 110.8 | K158 G159 R160 A166 | K158-T162 VanDerWaalsContact O-CB 3.27Å; K158-T162 WeakPolarHBondContact O-CB 3.46Å; K158-T162 PolarHBondContact O-N 2.93Å; K158-T162 PolarHBondContact O-OG1 3.28Å; G159-T162 WeakPolarHBondContact O-CB 3.28Å; G159-T162 PolarHBondContact O-N 3.03Å; R160-T162 VanDerWaalsContact C-N 3.27Å; R160-T162 PolarHBondContact O-N 3.43Å; T162-A166 WeakPolarHBondContact O-CB 3.36Å; T162-A166 PolarHBondContact O-N 3.31Å |
| 163 | M | 91.9 | Very high | 89.4 | Confident | 134 Ų | 134 | 102.6 Ų | 102.6 | 66% | 0.66 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.1 | -41.4 | 174.5 | -66.8 | -173.4 | -62.1 | 0 | 0 | 112 | G159 R160 A166 S167 | G159-M163 PolarHBondContact O-N 3.39Å; R160-M163 PolarHBondContact O-N 2.8Å; M163-A166 WeakPolarHBondContact O-CB 3.48Å; M163-A166 PolarHBondContact O-N 2.87Å; M163-S167 PolarHBondContact O-N 2.97Å; M163-S167 PolarHBondContact O-OG 2.83Å |
| 164 | E | 93.6 | Very high | 87.7 | Confident | 81 Ų | 81 | 98.4 Ų | 98.4 | 38% | 0.379 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.6 | -44.6 | 175.5 | -173.2 | 177.5 | 168.9 | 0 | 0 | 111.6 | R160 A166 S167 L168 | R160-E164 IonicContact CZ-OE2 3.68Å; R160-E164 IonicContact NH1-OE2 3.4Å; R160-E164 PolarHBondContact NH1-OE2 2.96Å; R160-E164 IonicContact NH2-OE2 2.81Å; R160-E164 WeakPolarHBondContact O-CB 3.49Å; R160-E164 PolarHBondContact O-N 3.5Å; E164-A166 VanDerWaalsContact C-N 3.3Å; E164-A166 PolarHBondContact O-N 3.17Å; E164-S167 PolarHBondContact O-N 3.3Å; E164-S167 PolarHBondContact O-OG 3.47Å; E164-L168 HydrophobicContact CG-CD1 4.27Å; E164-L168 WeakPolarHBondContact O-CB 3.44Å; E164-L168 VanDerWaalsContact O-CG 3.29Å; E164-L168 WeakPolarHBondContact O-CG 3.39Å; E164-L168 PolarHBondContact O-N 3.37Å |
| 165 | N | 91 | Very high | 86.1 | Confident | 90 Ų | 90 | 98.9 Ų | 98.9 | 48% | 0.481 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.3 | -35.3 | 174.4 | -79.3 | -44.9 | 0 | 0 | 0 | 112.2 | L161 Q169 | L161-N165 VanDerWaalsContact O-CB 3.24Å; L161-N165 WeakPolarHBondContact O-CB 3.23Å; L161-N165 VanDerWaalsContact O-CG 3.26Å; L161-N165 PolarHBondContact O-N 3.37Å; L161-N165 PolarHBondContact O-ND2 2.85Å; N165-Q169 WeakPolarHBondContact O-CB 3.08Å; N165-Q169 VanDerWaalsContact O-CG 3.29Å; N165-Q169 WeakPolarHBondContact O-CG 3.19Å; N165-Q169 PolarHBondContact O-N 2.88Å |
| 166 | A | 89.3 | Confident | 84.5 | Confident | 56 Ų | 56 | 98.4 Ų | 98.4 | 46% | 0.463 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.9 | -43.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | T162 M163 E164 Q169 E170 | T162-A166 WeakPolarHBondContact O-CB 3.36Å; T162-A166 PolarHBondContact O-N 3.31Å; M163-A166 WeakPolarHBondContact O-CB 3.48Å; M163-A166 PolarHBondContact O-N 2.87Å; E164-A166 VanDerWaalsContact C-N 3.3Å; E164-A166 PolarHBondContact O-N 3.17Å; A166-Q169 PolarHBondContact O-N 3.21Å; A166-E170 PolarHBondContact O-N 3.46Å |
| 167 | S | 88.9 | Confident | 82.6 | Confident | 54 Ų | 54 | 98 Ų | 98 | 38% | 0.378 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.3 | -38.8 | 176.7 | 65.5 | 0 | 0 | 0 | 0 | 112.4 | M163 E164 Q169 E170 I171 | M163-S167 PolarHBondContact O-N 2.97Å; M163-S167 PolarHBondContact O-OG 2.83Å; E164-S167 PolarHBondContact O-N 3.3Å; E164-S167 PolarHBondContact O-OG 3.47Å; S167-Q169 VanDerWaalsContact C-N 3.32Å; S167-Q169 PolarHBondContact O-N 3.38Å; S167-E170 WeakPolarHBondContact O-CB 3.34Å; S167-E170 PolarHBondContact O-N 3.39Å; S167-I171 WeakPolarHBondContact O-CG1 3.42Å; S167-I171 PolarHBondContact O-N 2.9Å |
| 168 | L | 86.8 | Confident | 80.5 | Confident | 88 Ų | 88 | 95.1 Ų | 95.1 | 46% | 0.461 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 172.3 | -72.2 | 174.6 | 0 | 0 | 0 | 111.7 | E164 I171 L172 | E164-L168 HydrophobicContact CG-CD1 4.27Å; E164-L168 WeakPolarHBondContact O-CB 3.44Å; E164-L168 VanDerWaalsContact O-CG 3.29Å; E164-L168 WeakPolarHBondContact O-CG 3.39Å; E164-L168 PolarHBondContact O-N 3.37Å; L168-I171 PolarHBondContact O-N 3.38Å; L168-L172 VanDerWaalsContact O-CB 3.31Å; L168-L172 WeakPolarHBondContact O-CB 3.29Å; L168-L172 PolarHBondContact O-N 2.82Å |
| 169 | Q | 84.3 | Confident | 78.5 | Confident | 128 Ų | 128 | 93.8 Ų | 93.8 | 60% | 0.598 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.3 | -37.4 | 173.8 | -80.4 | -174.4 | 1.3 | 0 | 0 | 112.4 | N165 A166 S167 I171 L172 N173 | N165-Q169 WeakPolarHBondContact O-CB 3.08Å; N165-Q169 VanDerWaalsContact O-CG 3.29Å; N165-Q169 WeakPolarHBondContact O-CG 3.19Å; N165-Q169 PolarHBondContact O-N 2.88Å; A166-Q169 PolarHBondContact O-N 3.21Å; S167-Q169 VanDerWaalsContact C-N 3.32Å; S167-Q169 PolarHBondContact O-N 3.38Å; Q169-I171 VanDerWaalsContact C-N 3.32Å; Q169-L172 PolarHBondContact O-N 3.44Å; Q169-N173 WeakPolarHBondContact O-CA 3.39Å; Q169-N173 VanDerWaalsContact O-CB 3.28Å; Q169-N173 WeakPolarHBondContact O-CB 3.34Å; Q169-N173 PolarHBondContact O-N 2.88Å |
| 170 | E | 81.3 | Confident | 76.7 | Confident | 131 Ų | 131 | 95 Ų | 95 | 61% | 0.612 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.8 | -37.4 | 174.3 | -168.4 | 178.7 | -176.2 | 0 | 0 | 111.9 | A166 S167 N173 | A166-E170 PolarHBondContact O-N 3.46Å; S167-E170 WeakPolarHBondContact O-CB 3.34Å; S167-E170 PolarHBondContact O-N 3.39Å; E170-N173 CarbonylContact O-C 3.27Å; E170-N173 VanDerWaalsContact O-C 3.27Å; E170-N173 VanDerWaalsContact O-O 3.13Å |
| 171 | I | 82.3 | Confident | 74.8 | Confident | 127 Ų | 127 | 94.6 Ų | 94.6 | 65% | 0.651 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -70.5 | -44.1 | 174.8 | -65.9 | 162.7 | 0 | 0 | 0 | 111.4 | S167 L168 Q169 P174 | S167-I171 WeakPolarHBondContact O-CG1 3.42Å; S167-I171 PolarHBondContact O-N 2.9Å; L168-I171 PolarHBondContact O-N 3.38Å; Q169-I171 VanDerWaalsContact C-N 3.32Å; I171-P174 WeakPolarHBondContact O-CD 3.47Å |
| 172 | L | 77.3 | Confident | 73.1 | Confident | 142 Ų | 142 | 95.5 Ų | 95.5 | 74% | 0.743 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -73.5 | -32.4 | -177.2 | -153.4 | 82.8 | 0 | 0 | 0 | 112.1 | L168 Q169 P174 | L168-L172 VanDerWaalsContact O-CB 3.31Å; L168-L172 WeakPolarHBondContact O-CB 3.29Å; L168-L172 PolarHBondContact O-N 2.82Å; Q169-L172 PolarHBondContact O-N 3.44Å; L172-P174 WeakPolarHBondContact O-CD 3.49Å |
| 173 | N | 73 | Confident | 71.4 | Confident | 103 Ų | 103 | 98 Ų | 98 | 55% | 0.551 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -109.2 | 73.3 | 171.2 | -68.9 | -37.8 | 0 | 0 | 0 | 109.4 | Q169 E170 L175 | Q169-N173 WeakPolarHBondContact O-CA 3.39Å; Q169-N173 VanDerWaalsContact O-CB 3.28Å; Q169-N173 WeakPolarHBondContact O-CB 3.34Å; Q169-N173 PolarHBondContact O-N 2.88Å; E170-N173 CarbonylContact O-C 3.27Å; E170-N173 VanDerWaalsContact O-C 3.27Å; E170-N173 VanDerWaalsContact O-O 3.13Å; N173-L175 PolarHBondContact O-N 2.88Å |
| 174 | P | 58 | Low | 69.7 | Low | 40 Ų | 40 | 96.2 Ų | 96.2 | 26% | 0.26 | 52% | 0.522 | S | S | . | . | trans | -58.3 | 132.2 | 174.4 | 22.2 | -27.4 | 0 | 0 | 0 | 108.1 | I171 L172 K179 | I171-P174 WeakPolarHBondContact O-CD 3.47Å; L172-P174 WeakPolarHBondContact O-CD 3.49Å; P174-K179 HydrophobicContact CG-CG 3.83Å | ||
| 175 | L | 59.1 | Low | 67.9 | Low | 125 Ų | 125 | 99.8 Ų | 99.8 | 65% | 0.654 | 54% | 0.537 | S | S | * | . | trans | -36.7 | 143.3 | 162.9 | -81.9 | 148.8 | 0 | 0 | 0 | 108.9 | N173 L177 G178 | N173-L175 PolarHBondContact O-N 2.88Å; L175-L177 CarbonylContact O-C 3.6Å; L175-L177 PolarHBondContact O-N 3.16Å; L175-G178 PolarHBondContact O-N 3.33Å | ||
| 176 | P | 58.5 | Low | 66.5 | Low | 104 Ų | 104 | 99.4 Ų | 99.4 | 68% | 0.675 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -50.9 | -21.1 | -169.6 | 12.8 | -27.1 | 0 | 0 | 0 | 115.7 | ||
| 177 | L | 53.1 | Low | 65.3 | Low | 141 Ų | 141 | 100.9 Ų | 100.9 | 74% | 0.738 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.3 | -33.5 | 170.4 | -81.6 | 100.6 | 0 | 0 | 0 | 114.6 | L175 L181 | L175-L177 CarbonylContact O-C 3.6Å; L175-L177 PolarHBondContact O-N 3.16Å; L177-L181 PolarHBondContact O-N 3Å |
| 178 | G | 51.1 | Low | 63.6 | Low | 22 Ų | 22 | 106.2 Ų | 106.2 | 23% | 0.227 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -78.6 | -32.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L175 A180 L181 V182 | L175-G178 PolarHBondContact O-N 3.33Å; G178-A180 VanDerWaalsContact C-N 3.31Å; G178-A180 PolarHBondContact O-N 2.97Å; G178-L181 PolarHBondContact O-N 3.24Å; G178-V182 WeakPolarHBondContact O-CG2 3.32Å; G178-V182 PolarHBondContact O-N 3.25Å |
| 179 | K | 51.9 | Low | 62.5 | Low | 109 Ų | 109 | 107.6 Ų | 107.6 | 47% | 0.474 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.4 | -42.5 | 172.6 | -69.7 | -168.8 | 178.6 | -177.6 | 0 | 111.3 | P174 L181 V182 E183 | P174-K179 HydrophobicContact CG-CG 3.83Å; K179-L181 PolarHBondContact O-N 3.43Å; K179-V182 PolarHBondContact O-N 2.87Å; K179-E183 WeakPolarHBondContact O-CB 3.49Å; K179-E183 VanDerWaalsContact O-CG 3.31Å; K179-E183 WeakPolarHBondContact O-CG 3.41Å; K179-E183 PolarHBondContact O-N 3.08Å |
| 180 | A | 55.7 | Low | 61 | Low | 56 Ų | 56 | 108.1 Ų | 108.1 | 46% | 0.463 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -60.8 | -43 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G178 E184 | G178-A180 VanDerWaalsContact C-N 3.31Å; G178-A180 PolarHBondContact O-N 2.97Å; A180-E184 WeakPolarHBondContact O-CB 3.48Å; A180-E184 PolarHBondContact O-N 3.44Å |
| 181 | L | 55.8 | Low | 59.5 | Low | 104 Ų | 104 | 111.7 Ų | 111.7 | 55% | 0.545 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -74.7 | -32.5 | -179.7 | -77.5 | 163.8 | 0 | 0 | 0 | 114 | L177 G178 K179 K185 | L177-L181 PolarHBondContact O-N 3Å; G178-L181 PolarHBondContact O-N 3.24Å; K179-L181 PolarHBondContact O-N 3.43Å; L181-K185 PolarHBondContact O-N 2.89Å |
| 182 | V | 58 | Low | 58.4 | Low | 89 Ų | 89 | 111 Ų | 111 | 54% | 0.539 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -72.9 | -41.4 | 174.8 | 174.1 | 0 | 0 | 0 | 0 | 110.4 | G178 K179 E184 K185 V186 | G178-V182 WeakPolarHBondContact O-CG2 3.32Å; G178-V182 PolarHBondContact O-N 3.25Å; K179-V182 PolarHBondContact O-N 2.87Å; V182-E184 VanDerWaalsContact C-N 3.31Å; V182-E184 PolarHBondContact O-N 3.15Å; V182-K185 PolarHBondContact O-N 3.29Å; V182-V186 HydrophobicContact CG1-CG2 4.35Å; V182-V186 VanDerWaalsContact O-CG2 3.29Å; V182-V186 WeakPolarHBondContact O-CG2 3.45Å; V182-V186 PolarHBondContact O-N 3.05Å |
| 183 | E | 58.1 | Low | 57.4 | Low | 133 Ų | 133 | 109.3 Ų | 109.3 | 62% | 0.621 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -60.7 | -40.7 | 171.7 | -74.5 | 173.8 | -179.2 | 0 | 0 | 111.1 | K179 K185 V186 V187 | K179-E183 WeakPolarHBondContact O-CB 3.49Å; K179-E183 VanDerWaalsContact O-CG 3.31Å; K179-E183 WeakPolarHBondContact O-CG 3.41Å; K179-E183 PolarHBondContact O-N 3.08Å; E183-K185 PolarHBondContact O-N 2.99Å; E183-V186 PolarHBondContact O-N 3.18Å; E183-V187 VanDerWaalsContact O-CG2 3.29Å; E183-V187 WeakPolarHBondContact O-CG2 3.13Å; E183-V187 PolarHBondContact O-N 2.66Å |
| 184 | E | 57.4 | Low | 56.5 | Low | 98 Ų | 98 | 109.7 Ų | 109.7 | 46% | 0.458 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.4 | -34.9 | 176.7 | -156.1 | -166.5 | 148.9 | 0 | 0 | 113.4 | A180 V182 R188 | A180-E184 WeakPolarHBondContact O-CB 3.48Å; A180-E184 PolarHBondContact O-N 3.44Å; V182-E184 VanDerWaalsContact C-N 3.31Å; V182-E184 PolarHBondContact O-N 3.15Å; E184-R188 PolarHBondContact O-N 3.29Å; E184-R188 IonicContact OE1-CZ 3.89Å; E184-R188 IonicContact OE1-NH2 2.86Å; E184-R188 PolarHBondContact OE1-NH2 3.36Å |
| 185 | K | 55.3 | Low | 56.4 | Low | 156 Ų | 156 | 113.8 Ų | 113.8 | 68% | 0.678 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -75.5 | -35.8 | 175.3 | -86.1 | -172.1 | 175.2 | -177.5 | 0 | 113.5 | L181 V182 E183 V187 R188 V189 | L181-K185 PolarHBondContact O-N 2.89Å; V182-K185 PolarHBondContact O-N 3.29Å; E183-K185 PolarHBondContact O-N 2.99Å; K185-V187 VanDerWaalsContact C-N 3.27Å; K185-V187 PolarHBondContact O-N 3.07Å; K185-R188 PolarHBondContact O-N 3.35Å; K185-V189 PolarHBondContact O-N 2.96Å |
| 186 | V | 61.9 | Low | 56.3 | Low | 82 Ų | 82 | 113.1 Ų | 113.1 | 50% | 0.497 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.5 | -32.9 | 176.3 | 171.3 | 0 | 0 | 0 | 0 | 111 | V182 E183 N190 | V182-V186 HydrophobicContact CG1-CG2 4.35Å; V182-V186 VanDerWaalsContact O-CG2 3.29Å; V182-V186 WeakPolarHBondContact O-CG2 3.45Å; V182-V186 PolarHBondContact O-N 3.05Å; E183-V186 PolarHBondContact O-N 3.18Å; V186-N190 PolarHBondContact O-ND2 3.4Å |
| 187 | V | 62.8 | Low | 56.1 | Low | 87 Ų | 87 | 113.7 Ų | 113.7 | 53% | 0.527 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.7 | -43.2 | 172.9 | 173.4 | 0 | 0 | 0 | 0 | 111.4 | E183 K185 V189 N190 | E183-V187 VanDerWaalsContact O-CG2 3.29Å; E183-V187 WeakPolarHBondContact O-CG2 3.13Å; E183-V187 PolarHBondContact O-N 2.66Å; K185-V187 VanDerWaalsContact C-N 3.27Å; K185-V187 PolarHBondContact O-N 3.07Å; V187-V189 PolarHBondContact O-N 3.09Å; V187-N190 PolarHBondContact O-N 2.77Å |
| 188 | R | 53.9 | Low | 56.4 | Low | 165 Ų | 165 | 111.7 Ų | 111.7 | 62% | 0.623 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -73.3 | -13.6 | -178.5 | -82.3 | -162.3 | -104.1 | -170.1 | -10.7 | 116.7 | E184 K185 | E184-R188 PolarHBondContact O-N 3.29Å; E184-R188 IonicContact OE1-CZ 3.89Å; E184-R188 IonicContact OE1-NH2 2.86Å; E184-R188 PolarHBondContact OE1-NH2 3.36Å; K185-R188 PolarHBondContact O-N 3.35Å |
| 189 | V | 64.2 | Low | 56.8 | Low | 118 Ų | 118 | 118.6 Ų | 118.6 | 72% | 0.715 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -93.3 | -18.4 | 175.9 | 175.5 | 0 | 0 | 0 | 0 | 111.8 | K185 V187 | K185-V189 PolarHBondContact O-N 2.96Å; V187-V189 PolarHBondContact O-N 3.09Å |
| 190 | N | 52.7 | Low | 57.2 | Low | 138 Ų | 138 | 119.4 Ų | 119.4 | 74% | 0.738 | 61% | 0.614 | S | S | * | * | trans | -97.5 | 4.3 | 177.5 | -72 | -30.7 | 0 | 0 | 0 | 113.3 | V186 V187 | V186-N190 PolarHBondContact O-ND2 3.4Å; V187-N190 PolarHBondContact O-N 2.77Å | ||
| 191 | E | 50.1 | Low | 57.3 | Low | 207 Ų | 207 | 125.2 Ų | 125.2 | 97% | 0.967 | 63% | 0.628 | S | S | * | * | trans | -99.7 | 0 | 165.5 | -71.4 | -178.1 | 163.1 | 0 | 0 | 110 |
Retrieved 191 of 191 residues in 137.2 ms
(Link to these results)