| 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 | 59.8 | Low | 67.6 | Low | 240 Ų | 240 | 131.1 Ų | 131.1 | 100% | 1.182 | 68% | 0.684 | S | S | * | * | 0 | 29.5 | 0 | -70.1 | -174.6 | 174.4 | 0 | 0 | 113.6 | |||||
| 2 | A | 59.8 | Low | 68.8 | Low | 76 Ų | 76 | 124.5 Ų | 124.5 | 63% | 0.628 | 66% | 0.657 | S | S | * | * | trans | -95.1 | -15.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | R4 T5 | A2-R4 VanDerWaalsContact C-N 3.34Å; A2-R4 PolarHBondContact O-N 3.27Å; A2-T5 PolarHBondContact O-OG1 3.22Å | ||
| 3 | G | 61.8 | Low | 70.1 | Confident | 63 Ų | 63 | 126.9 Ų | 126.9 | 65% | 0.649 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -76.7 | -12.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 4 | R | 63.8 | Low | 71.5 | Confident | 224 Ų | 224 | 121.6 Ų | 121.6 | 85% | 0.845 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -81.3 | -30.8 | -176.9 | -70.4 | -175.7 | 172.5 | -170.3 | -2.2 | 113 | A2 A8 | A2-R4 VanDerWaalsContact C-N 3.34Å; A2-R4 PolarHBondContact O-N 3.27Å; R4-A8 PolarHBondContact O-N 3.24Å |
| 5 | T | 64.3 | Low | 72.7 | Confident | 94 Ų | 94 | 120.5 Ų | 120.5 | 58% | 0.577 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -79.9 | -39.5 | -176.3 | 47.9 | 0 | 0 | 0 | 0 | 112.8 | A2 R7 A8 E9 | A2-T5 PolarHBondContact O-OG1 3.22Å; T5-R7 PolarHBondContact O-N 3.22Å; T5-A8 WeakPolarHBondContact O-CB 3.4Å; T5-A8 PolarHBondContact O-N 3.11Å; T5-A8 VanDerWaalsContact O-N 3.11Å; T5-E9 PolarHBondContact O-N 3.31Å |
| 6 | V | 68.2 | Low | 74 | Confident | 97 Ų | 97 | 117.8 Ų | 117.8 | 59% | 0.588 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -60.1 | -45.3 | 179 | -178.8 | 0 | 0 | 0 | 0 | 111.3 | A8 E9 T10 | V6-A8 VanDerWaalsContact C-N 3.3Å; V6-A8 PolarHBondContact O-N 3.48Å; V6-E9 PolarHBondContact O-N 3.21Å; V6-T10 PolarHBondContact O-N 3.36Å; V6-T10 PolarHBondContact O-OG1 3.3Å; V6-T10 VanDerWaalsContact O-OG1 3.09Å |
| 7 | R | 69.9 | Low | 75 | Confident | 211 Ų | 211 | 116.6 Ų | 116.6 | 80% | 0.796 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.5 | -33.1 | 176.6 | -173.3 | 174.5 | -178.4 | 155.5 | 1 | 112.8 | T5 R11 | T5-R7 PolarHBondContact O-N 3.22Å; R7-R11 WeakPolarHBondContact O-CB 3.33Å; R7-R11 PolarHBondContact O-N 3.06Å |
| 8 | A | 72.5 | Confident | 76.1 | Confident | 62 Ų | 62 | 115.7 Ų | 115.7 | 51% | 0.512 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -69.5 | -39.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | R4 T5 V6 R11 S12 | R4-A8 PolarHBondContact O-N 3.24Å; T5-A8 WeakPolarHBondContact O-CB 3.4Å; T5-A8 PolarHBondContact O-N 3.11Å; T5-A8 VanDerWaalsContact O-N 3.11Å; V6-A8 VanDerWaalsContact C-N 3.3Å; V6-A8 PolarHBondContact O-N 3.48Å; A8-R11 PolarHBondContact O-N 2.99Å; A8-S12 PolarHBondContact O-N 2.72Å; A8-S12 VanDerWaalsContact O-N 3.11Å |
| 9 | E | 72.6 | Confident | 77.1 | Confident | 110 Ų | 110 | 116.3 Ų | 116.3 | 51% | 0.514 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.5 | -41.9 | 178.6 | -168 | 178.1 | 121.3 | 0 | 0 | 112.7 | T5 V6 R11 S12 R13 | T5-E9 PolarHBondContact O-N 3.31Å; V6-E9 PolarHBondContact O-N 3.21Å; E9-R11 PolarHBondContact O-N 2.89Å; E9-S12 PolarHBondContact O-N 2.81Å; E9-S12 PolarHBondContact O-OG 3.19Å; E9-R13 PolarHBondContact O-N 2.79Å; E9-R13 IonicContact OE1-CZ 3.49Å; E9-R13 IonicContact OE1-NE 2.78Å; E9-R13 IonicContact OE1-NH2 3.18Å; E9-R13 PolarHBondContact OE1-NH2 3Å |
| 10 | T | 76.3 | Confident | 78 | Confident | 96 Ų | 96 | 117.8 Ų | 117.8 | 59% | 0.589 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.5 | -34.6 | 175.6 | -46.5 | 0 | 0 | 0 | 0 | 111.7 | V6 A14 | V6-T10 PolarHBondContact O-N 3.36Å; V6-T10 PolarHBondContact O-OG1 3.3Å; V6-T10 VanDerWaalsContact O-OG1 3.09Å; T10-A14 PolarHBondContact O-N 3.18Å |
| 11 | R | 74.6 | Confident | 78.9 | Confident | 169 Ų | 169 | 116.1 Ų | 116.1 | 64% | 0.638 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -73.8 | -28.9 | 178.7 | -168.8 | 176.9 | -173.4 | -168.9 | 3.2 | 113 | R7 A8 E9 K15 | R7-R11 WeakPolarHBondContact O-CB 3.33Å; R7-R11 PolarHBondContact O-N 3.06Å; A8-R11 PolarHBondContact O-N 2.99Å; E9-R11 PolarHBondContact O-N 2.89Å; R11-K15 HydrophobicContact CG-CD 4.46Å; R11-K15 VanDerWaalsContact O-CG 3.31Å; R11-K15 WeakPolarHBondContact O-CG 3.47Å; R11-K15 PolarHBondContact O-N 2.82Å |
| 12 | S | 81.4 | Confident | 80.6 | Confident | 52 Ų | 52 | 109.7 Ų | 109.7 | 36% | 0.364 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -70.6 | -48.8 | 176.4 | 58.4 | 0 | 0 | 0 | 0 | 110.9 | A8 E9 A14 K15 D16 | A8-S12 PolarHBondContact O-N 2.72Å; A8-S12 VanDerWaalsContact O-N 3.11Å; E9-S12 PolarHBondContact O-N 2.81Å; E9-S12 PolarHBondContact O-OG 3.19Å; S12-A14 PolarHBondContact O-N 3.43Å; S12-K15 WeakPolarHBondContact O-CB 3.39Å; S12-K15 PolarHBondContact O-N 3.35Å; S12-D16 PolarHBondContact O-N 2.8Å |
| 13 | R | 85.9 | Confident | 82.2 | Confident | 156 Ų | 156 | 108 Ų | 108 | 59% | 0.589 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -54 | -51.1 | 180 | -66 | -173 | -166.9 | -161.7 | 6.2 | 112.7 | E9 K15 D16 D17 | E9-R13 PolarHBondContact O-N 2.79Å; E9-R13 IonicContact OE1-CZ 3.49Å; E9-R13 IonicContact OE1-NE 2.78Å; E9-R13 IonicContact OE1-NH2 3.18Å; E9-R13 PolarHBondContact OE1-NH2 3Å; R13-K15 VanDerWaalsContact C-N 3.26Å; R13-K15 PolarHBondContact O-N 3.27Å; R13-D16 PolarHBondContact O-N 2.88Å; R13-D17 PolarHBondContact O-N 3.42Å |
| 14 | A | 89.6 | Confident | 83.7 | Confident | 53 Ų | 53 | 108.4 Ų | 108.4 | 44% | 0.438 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.3 | -36.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | T10 S12 I18 | T10-A14 PolarHBondContact O-N 3.18Å; S12-A14 PolarHBondContact O-N 3.43Å; A14-I18 WeakPolarHBondContact O-CD1 3.35Å; A14-I18 VanDerWaalsContact O-CG1 3.27Å; A14-I18 WeakPolarHBondContact O-CG1 3.39Å; A14-I18 PolarHBondContact O-N 3.34Å |
| 15 | K | 90.1 | Very high | 85.2 | Confident | 105 Ų | 105 | 101.2 Ų | 101.2 | 46% | 0.457 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71.9 | -36.2 | 176 | -74.2 | 177.2 | 174.4 | -172 | 0 | 112.3 | R11 S12 R13 K19 | R11-K15 HydrophobicContact CG-CD 4.46Å; R11-K15 VanDerWaalsContact O-CG 3.31Å; R11-K15 WeakPolarHBondContact O-CG 3.47Å; R11-K15 PolarHBondContact O-N 2.82Å; S12-K15 WeakPolarHBondContact O-CB 3.39Å; S12-K15 PolarHBondContact O-N 3.35Å; R13-K15 VanDerWaalsContact C-N 3.26Å; R13-K15 PolarHBondContact O-N 3.27Å; K15-K19 WeakPolarHBondContact O-CG 3.36Å; K15-K19 PolarHBondContact O-N 3.41Å; K15-K19 VanDerWaalsContact O-N 3.09Å |
| 16 | D | 92.7 | Very high | 86.6 | Confident | 76 Ų | 76 | 102 Ų | 102 | 41% | 0.406 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -72.9 | -34.8 | 178.4 | -64.7 | -45.9 | 0 | 0 | 0 | 111.7 | S12 R13 K19 K20 | S12-D16 PolarHBondContact O-N 2.8Å; R13-D16 PolarHBondContact O-N 2.88Å; D16-K19 PolarHBondContact O-N 2.7Å; D16-K19 IonicContact OD1-NZ 2.84Å; D16-K19 PolarHBondContact OD1-NZ 3.18Å; D16-K20 WeakPolarHBondContact O-CB 3.13Å; D16-K20 PolarHBondContact O-N 3.05Å |
| 17 | D | 92.1 | Very high | 87.7 | Confident | 98 Ų | 98 | 102 Ų | 102 | 52% | 0.524 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.4 | -45 | 171.3 | -70.3 | -29 | 0 | 0 | 0 | 111.3 | R13 K19 K20 V21 | R13-D17 PolarHBondContact O-N 3.42Å; D17-K19 PolarHBondContact O-N 3.41Å; D17-K20 WeakPolarHBondContact O-CB 3.39Å; D17-K20 PolarHBondContact O-N 3.02Å; D17-V21 WeakPolarHBondContact O-CG2 3.4Å; D17-V21 PolarHBondContact O-N 3.19Å |
| 18 | I | 94.1 | Very high | 88.9 | Confident | 101 Ų | 101 | 95.8 Ų | 95.8 | 52% | 0.518 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60 | -46.8 | 174.8 | -68.8 | 163.4 | 0 | 0 | 0 | 110.6 | A14 K20 V21 M22 | A14-I18 WeakPolarHBondContact O-CD1 3.35Å; A14-I18 VanDerWaalsContact O-CG1 3.27Å; A14-I18 WeakPolarHBondContact O-CG1 3.39Å; A14-I18 PolarHBondContact O-N 3.34Å; I18-K20 VanDerWaalsContact C-N 3.3Å; I18-K20 PolarHBondContact O-N 2.96Å; I18-V21 PolarHBondContact O-N 3.36Å; I18-M22 HydrophobicContact CG2-CE 4.43Å; I18-M22 HydrophobicContact CG2-CG 4.33Å; I18-M22 VanDerWaalsContact O-CG 3.28Å; I18-M22 WeakPolarHBondContact O-CG 3.11Å; I18-M22 PolarHBondContact O-N 2.95Å |
| 19 | K | 95 | Very high | 89.9 | Confident | 126 Ų | 126 | 102.9 Ų | 102.9 | 55% | 0.548 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.6 | -40.4 | 176.5 | -69.2 | 172.4 | -161.3 | 157 | 0 | 111.8 | K15 D16 D17 M22 A23 | K15-K19 WeakPolarHBondContact O-CG 3.36Å; K15-K19 PolarHBondContact O-N 3.41Å; K15-K19 VanDerWaalsContact O-N 3.09Å; D16-K19 PolarHBondContact O-N 2.7Å; D16-K19 IonicContact OD1-NZ 2.84Å; D16-K19 PolarHBondContact OD1-NZ 3.18Å; D17-K19 PolarHBondContact O-N 3.41Å; K19-M22 PolarHBondContact O-N 3.34Å; K19-A23 VanDerWaalsContact O-CB 3.3Å; K19-A23 WeakPolarHBondContact O-CB 3.17Å; K19-A23 PolarHBondContact O-N 2.83Å |
| 20 | K | 95.1 | Very high | 90.9 | Very high | 147 Ų | 147 | 102.1 Ų | 102.1 | 64% | 0.639 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.6 | -43.2 | 177.9 | -173.8 | -178.4 | 179 | -175.2 | 0 | 111 | D16 D17 I18 T24 | D16-K20 WeakPolarHBondContact O-CB 3.13Å; D16-K20 PolarHBondContact O-N 3.05Å; D17-K20 WeakPolarHBondContact O-CB 3.39Å; D17-K20 PolarHBondContact O-N 3.02Å; I18-K20 VanDerWaalsContact C-N 3.3Å; I18-K20 PolarHBondContact O-N 2.96Å; K20-T24 WeakPolarHBondContact O-CB 3.42Å; K20-T24 PolarHBondContact O-N 3.32Å; K20-T24 PolarHBondContact O-OG1 2.88Å |
| 21 | V | 96.6 | Very high | 91.9 | Very high | 83 Ų | 83 | 102.7 Ų | 102.7 | 50% | 0.503 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62 | -50 | 174.8 | 169.5 | 0 | 0 | 0 | 0 | 110.3 | D17 I18 A23 T24 I25 | D17-V21 WeakPolarHBondContact O-CG2 3.4Å; D17-V21 PolarHBondContact O-N 3.19Å; I18-V21 PolarHBondContact O-N 3.36Å; V21-A23 PolarHBondContact O-N 3.26Å; V21-T24 PolarHBondContact O-N 3.49Å; V21-T24 VanDerWaalsContact O-N 3.12Å; V21-I25 HydrophobicContact CG1-CD1 3.64Å; V21-I25 HydrophobicContact CG1-CG1 4.32Å; V21-I25 WeakPolarHBondContact O-CB 3.39Å; V21-I25 VanDerWaalsContact O-CG1 3.28Å; V21-I25 WeakPolarHBondContact O-CG1 3.45Å; V21-I25 PolarHBondContact O-N 2.77Å |
| 22 | M | 96.7 | Very high | 92.9 | Very high | 104 Ų | 104 | 97.8 Ų | 97.8 | 51% | 0.512 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59 | -46.1 | 178.2 | -67.3 | -60.2 | 176.8 | 0 | 0 | 111.9 | I18 K19 T24 I25 E26 | I18-M22 HydrophobicContact CG2-CE 4.43Å; I18-M22 HydrophobicContact CG2-CG 4.33Å; I18-M22 VanDerWaalsContact O-CG 3.28Å; I18-M22 WeakPolarHBondContact O-CG 3.11Å; I18-M22 PolarHBondContact O-N 2.95Å; K19-M22 PolarHBondContact O-N 3.34Å; M22-T24 VanDerWaalsContact C-N 3.3Å; M22-T24 PolarHBondContact O-N 3.18Å; M22-I25 PolarHBondContact O-N 3.42Å; M22-E26 WeakPolarHBondContact O-CB 3.5Å; M22-E26 WeakPolarHBondContact O-CG 3.39Å; M22-E26 PolarHBondContact O-N 3.08Å |
| 23 | A | 93.4 | Very high | 93.6 | Very high | 41 Ų | 41 | 100.9 Ų | 100.9 | 34% | 0.339 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64 | -34.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K19 V21 K27 | K19-A23 VanDerWaalsContact O-CB 3.3Å; K19-A23 WeakPolarHBondContact O-CB 3.17Å; K19-A23 PolarHBondContact O-N 2.83Å; V21-A23 PolarHBondContact O-N 3.26Å; A23-K27 VanDerWaalsContact O-CG 3.26Å; A23-K27 WeakPolarHBondContact O-CG 3.16Å; A23-K27 PolarHBondContact O-N 2.65Å |
| 24 | T | 93.6 | Very high | 94.1 | Very high | 71 Ų | 71 | 100 Ų | 100 | 44% | 0.436 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.7 | -41.9 | 176 | -57 | 0 | 0 | 0 | 0 | 110.9 | K20 V21 M22 K27 V28 | K20-T24 WeakPolarHBondContact O-CB 3.42Å; K20-T24 PolarHBondContact O-N 3.32Å; K20-T24 PolarHBondContact O-OG1 2.88Å; V21-T24 PolarHBondContact O-N 3.49Å; V21-T24 VanDerWaalsContact O-N 3.12Å; M22-T24 VanDerWaalsContact C-N 3.3Å; M22-T24 PolarHBondContact O-N 3.18Å; T24-K27 WeakPolarHBondContact O-CB 3.48Å; T24-K27 PolarHBondContact O-N 2.78Å; T24-V28 WeakPolarHBondContact O-CG2 3.32Å; T24-V28 PolarHBondContact O-N 3.44Å |
| 25 | I | 94.9 | Very high | 94.4 | Very high | 74 Ų | 74 | 103.5 Ų | 103.5 | 38% | 0.379 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60 | -48 | 173.3 | -70.3 | 168.4 | 0 | 0 | 0 | 110 | V21 M22 K27 V28 R29 | V21-I25 HydrophobicContact CG1-CD1 3.64Å; V21-I25 HydrophobicContact CG1-CG1 4.32Å; V21-I25 WeakPolarHBondContact O-CB 3.39Å; V21-I25 VanDerWaalsContact O-CG1 3.28Å; V21-I25 WeakPolarHBondContact O-CG1 3.45Å; V21-I25 PolarHBondContact O-N 2.77Å; M22-I25 PolarHBondContact O-N 3.42Å; I25-K27 VanDerWaalsContact C-N 3.29Å; I25-K27 PolarHBondContact O-N 2.95Å; I25-V28 PolarHBondContact O-N 3.1Å; I25-R29 HydrophobicContact CG2-CG 4.22Å; I25-R29 WeakPolarHBondContact O-CB 3.41Å; I25-R29 VanDerWaalsContact O-CG 3.23Å; I25-R29 WeakPolarHBondContact O-CG 3.46Å; I25-R29 PolarHBondContact O-N 3.23Å |
| 26 | E | 92.9 | Very high | 94.6 | Very high | 109 Ų | 109 | 101 Ų | 101 | 51% | 0.509 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58 | -40.4 | 176.9 | -76.9 | 178 | -178.3 | 0 | 0 | 112.1 | M22 R29 R30 | M22-E26 WeakPolarHBondContact O-CB 3.5Å; M22-E26 WeakPolarHBondContact O-CG 3.39Å; M22-E26 PolarHBondContact O-N 3.08Å; E26-R29 PolarHBondContact O-N 3.38Å; E26-R30 WeakPolarHBondContact O-CG 3.43Å; E26-R30 PolarHBondContact O-N 3.22Å |
| 27 | K | 91.3 | Very high | 94.7 | Very high | 97 Ų | 97 | 101.2 Ų | 101.2 | 42% | 0.422 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 175 | -74.4 | 170.5 | -173.2 | -179.3 | 0 | 112.4 | A23 T24 I25 R29 R30 W31 | A23-K27 VanDerWaalsContact O-CG 3.26Å; A23-K27 WeakPolarHBondContact O-CG 3.16Å; A23-K27 PolarHBondContact O-N 2.65Å; T24-K27 WeakPolarHBondContact O-CB 3.48Å; T24-K27 PolarHBondContact O-N 2.78Å; I25-K27 VanDerWaalsContact C-N 3.29Å; I25-K27 PolarHBondContact O-N 2.95Å; K27-R29 VanDerWaalsContact C-N 3.32Å; K27-R30 PolarHBondContact O-N 3.25Å; K27-W31 PolarHBondContact O-NE1 3.13Å |
| 28 | V | 94.5 | Very high | 94.8 | Very high | 82 Ų | 82 | 99.4 Ų | 99.4 | 50% | 0.497 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.2 | -35.6 | 179.6 | 176 | 0 | 0 | 0 | 0 | 111.2 | T24 I25 R30 W31 | T24-V28 WeakPolarHBondContact O-CG2 3.32Å; T24-V28 PolarHBondContact O-N 3.44Å; I25-V28 PolarHBondContact O-N 3.1Å; V28-R30 PolarHBondContact O-N 2.87Å; V28-W31 WeakPolarHBondContact O-CB 3.46Å; V28-W31 PolarHBondContact O-N 3.07Å |
| 29 | R | 94.6 | Very high | 94.6 | Very high | 210 Ų | 210 | 97.8 Ų | 97.8 | 79% | 0.792 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.4 | -20.2 | 177.3 | -73.1 | 174.7 | 89.1 | 147.1 | 10.2 | 113.9 | I25 E26 K27 | I25-R29 HydrophobicContact CG2-CG 4.22Å; I25-R29 WeakPolarHBondContact O-CB 3.41Å; I25-R29 VanDerWaalsContact O-CG 3.23Å; I25-R29 WeakPolarHBondContact O-CG 3.46Å; I25-R29 PolarHBondContact O-N 3.23Å; E26-R29 PolarHBondContact O-N 3.38Å; K27-R29 VanDerWaalsContact C-N 3.32Å |
| 30 | R | 94.1 | Very high | 94.2 | Very high | 95 Ų | 95 | 99.8 Ų | 99.8 | 36% | 0.358 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -0.6 | 175.6 | -67.3 | 176.1 | -175.8 | 170.8 | 0.2 | 113.1 | E26 K27 V28 E32 V51 D53 E56 | E26-R30 WeakPolarHBondContact O-CG 3.43Å; E26-R30 PolarHBondContact O-N 3.22Å; K27-R30 PolarHBondContact O-N 3.25Å; V28-R30 PolarHBondContact O-N 2.87Å; R30-E32 PolarHBondContact O-N 2.79Å; R30-V51 WeakPolarHBondContact O-CB 3.45Å; R30-V51 WeakPolarHBondContact O-CG2 3.23Å; R30-D53 IonicContact CZ-OD2 3.84Å; R30-D53 IonicContact NE-OD2 3.94Å; R30-D53 IonicContact NH1-OD2 2.96Å; R30-D53 PolarHBondContact NH1-OD2 3.28Å; R30-E56 IonicContact NH1-OE2 3.69Å; R30-E56 PolarHBondContact NH1-OE2 2.91Å |
| 31 | W | 96 | Very high | 94 | Very high | 108 Ų | 108 | 96 Ų | 96 | 41% | 0.409 | 48% | 0.484 | S | S | . | . | trans | -65 | 135 | 178.6 | -72.9 | 24 | 0 | 0 | 0 | 109.9 | K27 V28 W48 V49 P50 | K27-W31 PolarHBondContact O-NE1 3.13Å; V28-W31 WeakPolarHBondContact O-CB 3.46Å; V28-W31 PolarHBondContact O-N 3.07Å; W31-W48 HydrophobicContact CB-CB 4.38Å; W31-W48 HydrophobicContact CB-CE3 4.16Å; W31-W48 HydrophobicContact CD2-CB 4.5Å; W31-W48 HydrophobicContact CE3-CB 3.56Å; W31-W48 HydrophobicContact CZ3-CB 4.24Å; W31-W48 WeakPolarHBondContact O-CZ3 3.28Å; W31-V49 WeakPolarHBondContact CA-O 3.49Å; W31-P50 HydrophobicContact CZ2-CG 4.01Å | ||
| 32 | E | 95.7 | Very high | 93.6 | Very high | 65 Ų | 65 | 97.6 Ų | 97.6 | 30% | 0.304 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 142.7 | 178.9 | 67.2 | 178 | -171.6 | 0 | 0 | 110.5 | R30 R34 W48 V49 V51 | R30-E32 PolarHBondContact O-N 2.79Å; E32-R34 HydrophobicContact CG-CG 3.67Å; E32-R34 PolarHBondContact O-N 2.9Å; E32-R34 WeakPolarHBondContact OE1-CG 3.46Å; E32-R34 IonicContact OE1-CZ 3.51Å; E32-R34 IonicContact OE1-NE 2.65Å; E32-R34 PolarHBondContact OE1-NE 3.27Å; E32-R34 IonicContact OE1-NH2 3.5Å; E32-R34 PolarHBondContact OE1-NH2 3.14Å; E32-R34 IonicContact OE2-CZ 3.42Å; E32-R34 IonicContact OE2-NE 3.92Å; E32-R34 PolarHBondContact OE2-NE 2.78Å; E32-R34 IonicContact OE2-NH2 3.04Å; E32-R34 PolarHBondContact OE2-NH2 3.46Å; E32-W48 WeakPolarHBondContact O-CA 3.26Å; E32-V49 PolarHBondContact N-O 2.84Å; E32-V49 PolarHBondContact O-N 3.2Å; E32-V51 HydrophobicContact CB-CG2 3.56Å; E32-V51 HydrophobicContact CG-CG2 3.18Å |
| 33 | K | 96.8 | Very high | 93.4 | Very high | 117 Ų | 117 | 97.9 Ų | 97.9 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 111.3 | 175.5 | -172.4 | 176.8 | 177.5 | -179.8 | 0 | 108.4 | F46 W48 | K33-F46 HydrophobicContact CD-CB 4.21Å; K33-F46 HydrophobicContact CD-CD1 4.12Å; K33-F46 HydrophobicContact CD-CG 4.14Å; K33-F46 HydrophobicContact CG-CB 3.87Å; K33-F46 HydrophobicContact CG-CD1 3.56Å; K33-F46 HydrophobicContact CG-CE1 4.2Å; K33-F46 HydrophobicContact CG-CG 3.91Å; K33-W48 HydrophobicContact CB-CD2 4.4Å; K33-W48 HydrophobicContact CB-CE3 4.09Å; K33-W48 HydrophobicContact CB-CH2 4.2Å; K33-W48 HydrophobicContact CB-CZ3 3.99Å |
| 34 | R | 95.6 | Very high | 93.5 | Very high | 138 Ų | 138 | 102.9 Ų | 102.9 | 52% | 0.521 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 147.4 | -179.8 | -71.4 | -79.6 | -174.8 | -170.2 | -8.5 | 111.1 | E32 V36 F46 K47 V49 | E32-R34 HydrophobicContact CG-CG 3.67Å; E32-R34 PolarHBondContact O-N 2.9Å; E32-R34 WeakPolarHBondContact OE1-CG 3.46Å; E32-R34 IonicContact OE1-CZ 3.51Å; E32-R34 IonicContact OE1-NE 2.65Å; E32-R34 PolarHBondContact OE1-NE 3.27Å; E32-R34 IonicContact OE1-NH2 3.5Å; E32-R34 PolarHBondContact OE1-NH2 3.14Å; E32-R34 IonicContact OE2-CZ 3.42Å; E32-R34 IonicContact OE2-NE 3.92Å; E32-R34 PolarHBondContact OE2-NE 2.78Å; E32-R34 IonicContact OE2-NH2 3.04Å; E32-R34 PolarHBondContact OE2-NH2 3.46Å; R34-V36 PolarHBondContact O-N 3.04Å; R34-F46 WeakPolarHBondContact O-CA 3.3Å; R34-K47 PolarHBondContact N-O 2.96Å; R34-K47 PolarHBondContact O-N 2.88Å; R34-V49 HydrophobicContact CB-CG2 4.03Å |
| 35 | W | 96 | Very high | 93.6 | Very high | 127 Ų | 127 | 104.3 Ų | 104.3 | 48% | 0.481 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 115.4 | 170.7 | -73.1 | 116.4 | 0 | 0 | 0 | 110 | R44 F46 | W35-R44 HydrophobicContact CB-CB 4.32Å; W35-R44 HydrophobicContact CD2-CB 4.48Å; W35-R44 HydrophobicContact CE3-CB 3.92Å; W35-R44 WeakPolarHBondContact CZ3-O 3.34Å; W35-F46 AromaticContact CD1-CE1 3.6Å; W35-F46 AromaticContact CD1-CZ 3.92Å; W35-F46 AromaticContact CD2-CD1 3.77Å; W35-F46 HydrophobicContact CD2-CD1 3.77Å; W35-F46 HydrophobicContact CD2-CD2 4.06Å; W35-F46 AromaticContact CD2-CE1 3.66Å; W35-F46 HydrophobicContact CD2-CE1 3.66Å; W35-F46 AromaticContact CD2-CE2 3.97Å; W35-F46 HydrophobicContact CD2-CE2 3.97Å; W35-F46 AromaticContact CD2-CG 4Å; W35-F46 HydrophobicContact CD2-CG 4Å; W35-F46 AromaticContact CD2-CZ 3.78Å; W35-F46 HydrophobicContact CD2-CZ 3.78Å; W35-F46 AromaticContact CE2-CD1 3.99Å; W35-F46 AromaticContact CE2-CD2 3.86Å; W35-F46 AromaticContact CE2-CE1 3.44Å; W35-F46 VanDerWaalsContact CE2-CE1 3.44Å; W35-F46 AromaticContact CE2-CE2 3.31Å; W35-F46 AromaticContact CE2-CZ 3.08Å; W35-F46 HydrophobicContact CE3-CD1 4.1Å; W35-F46 AromaticContact CE3-CD2 3.91Å; W35-F46 HydrophobicContact CE3-CD2 3.91Å; W35-F46 HydrophobicContact CE3-CE1 4.39Å; W35-F46 HydrophobicContact CE3-CE2 4.22Å; W35-F46 AromaticContact CE3-CG 3.89Å; W35-F46 HydrophobicContact CE3-CG 3.89Å; W35-F46 HydrophobicContact CE3-CZ 4.45Å; W35-F46 HydrophobicContact CG-CD1 4.03Å; W35-F46 AromaticContact CG-CE1 3.81Å; W35-F46 HydrophobicContact CG-CE1 3.81Å; W35-F46 HydrophobicContact CG-CZ 4.28Å; W35-F46 AromaticContact CH2-CD2 3.41Å; W35-F46 HydrophobicContact CH2-CD2 3.41Å; W35-F46 VanDerWaalsContact CH2-CD2 3.41Å; W35-F46 AromaticContact CH2-CE2 3.3Å; W35-F46 HydrophobicContact CH2-CE2 3.3Å; W35-F46 HydrophobicContact CH2-CG 4.24Å; W35-F46 HydrophobicContact CH2-CZ 4.02Å; W35-F46 AromaticContact CZ2-CD2 3.58Å; W35-F46 HydrophobicContact CZ2-CD2 3.58Å; W35-F46 HydrophobicContact CZ2-CE1 4.05Å; W35-F46 AromaticContact CZ2-CE2 2.97Å; W35-F46 HydrophobicContact CZ2-CE2 2.97Å; W35-F46 HydrophobicContact CZ2-CG 4.35Å; W35-F46 AromaticContact CZ2-CZ 3.26Å; W35-F46 HydrophobicContact CZ2-CZ 3.26Å; W35-F46 AromaticContact CZ3-CD2 3.57Å; W35-F46 HydrophobicContact CZ3-CD2 3.57Å; W35-F46 AromaticContact CZ3-CE2 3.91Å; W35-F46 HydrophobicContact CZ3-CE2 3.91Å; W35-F46 AromaticContact CZ3-CG 3.99Å; W35-F46 HydrophobicContact CZ3-CG 3.99Å; W35-F46 AromaticContact NE1-CE1 3.36Å; W35-F46 AromaticContact NE1-CE2 3.91Å; W35-F46 AromaticContact NE1-CZ 3.17Å |
| 36 | V | 95.1 | Very high | 93.7 | Very high | 52 Ų | 52 | 105 Ų | 105 | 32% | 0.315 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 132.3 | 175.8 | -179.4 | 0 | 0 | 0 | 0 | 108.6 | R34 R44 I45 K47 V49 | R34-V36 PolarHBondContact O-N 3.04Å; V36-R44 CarbonylContact O-C 3.55Å; V36-R44 WeakPolarHBondContact O-CA 3.08Å; V36-I45 PolarHBondContact N-O 3.3Å; V36-I45 PolarHBondContact O-N 3.42Å; V36-K47 HydrophobicContact CB-CB 4.36Å; V36-K47 HydrophobicContact CG2-CB 3.85Å; V36-V49 HydrophobicContact CG2-CG2 3.95Å |
| 37 | T | 95.6 | Very high | 93.8 | Very high | 81 Ų | 81 | 105.8 Ų | 105.8 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 140.1 | 177.9 | -50.1 | 0 | 0 | 0 | 0 | 110.7 | T41 L43 | T37-T41 WeakPolarHBondContact CG2-O 3.4Å; T37-L43 WeakPolarHBondContact CA-O 3.35Å |
| 38 | V | 93.8 | Very high | 94.1 | Very high | 59 Ų | 59 | 108.5 Ų | 108.5 | 36% | 0.358 | 53% | 0.525 | S | S | . | . | trans | -95.7 | 101 | -177.8 | -173.6 | 0 | 0 | 0 | 0 | 109.2 | T41 L43 I45 | V38-T41 PolarHBondContact O-N 3.44Å; V38-L43 HydrophobicContact CB-CB 4.46Å; V38-L43 PolarHBondContact N-O 3.5Å; V38-I45 HydrophobicContact CG2-CB 4Å; V38-I45 HydrophobicContact CG2-CD1 3.32Å; V38-I45 HydrophobicContact CG2-CG1 3.41Å; V38-I45 VanDerWaalsContact CG2-CG1 3.41Å | ||
| 39 | G | 89.9 | Confident | 94.1 | Very high | 68 Ų | 68 | 106.6 Ų | 106.6 | 70% | 0.701 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | -137.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | T41 | G39-T41 VanDerWaalsContact C-N 3.28Š|
| 40 | D | 86.9 | Confident | 94.1 | Very high | 168 Ų | 168 | 100.3 Ų | 100.3 | 90% | 0.898 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | 1.1 | 178.7 | 57.6 | -56.1 | 0 | 0 | 0 | 113.9 | ||
| 41 | T | 90.1 | Very high | 94 | Very high | 68 Ų | 68 | 98.2 Ų | 98.2 | 42% | 0.417 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -94.1 | 157.8 | 179.5 | -32.5 | 0 | 0 | 0 | 0 | 112 | T37 V38 G39 L43 | T37-T41 WeakPolarHBondContact CG2-O 3.4Å; V38-T41 PolarHBondContact O-N 3.44Å; G39-T41 VanDerWaalsContact C-N 3.28Å; T41-L43 HydrophobicContact CG2-CB 4.37Å; T41-L43 HydrophobicContact CG2-CD1 3.96Å; T41-L43 HydrophobicContact CG2-CG 3.87Å; T41-L43 PolarHBondContact O-N 3.16Å |
| 42 | S | 87.4 | Confident | 93.4 | Very high | 115 Ų | 115 | 96 Ų | 96 | 80% | 0.804 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -73.9 | -0.3 | 171.9 | 59.7 | 0 | 0 | 0 | 0 | 114.3 | ||
| 43 | L | 94.2 | Very high | 92.4 | Very high | 110 Ų | 110 | 96.4 Ų | 96.4 | 58% | 0.576 | 50% | 0.5 | S | S | * | . | trans | -70.7 | 142.1 | 179.8 | -68 | 171.6 | 0 | 0 | 0 | 111.3 | T37 V38 T41 | T37-L43 WeakPolarHBondContact CA-O 3.35Å; V38-L43 HydrophobicContact CB-CB 4.46Å; V38-L43 PolarHBondContact N-O 3.5Å; T41-L43 HydrophobicContact CG2-CB 4.37Å; T41-L43 HydrophobicContact CG2-CD1 3.96Å; T41-L43 HydrophobicContact CG2-CG 3.87Å; T41-L43 PolarHBondContact O-N 3.16Å | ||
| 44 | R | 94.1 | Very high | 91.3 | Very high | 146 Ų | 146 | 95.9 Ų | 95.9 | 55% | 0.551 | 51% | 0.509 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 134.7 | 175.6 | -61.3 | 172.9 | 72.2 | -167.5 | 4 | 109 | W35 V36 | W35-R44 HydrophobicContact CB-CB 4.32Å; W35-R44 HydrophobicContact CD2-CB 4.48Å; W35-R44 HydrophobicContact CE3-CB 3.92Å; W35-R44 WeakPolarHBondContact CZ3-O 3.34Å; V36-R44 CarbonylContact O-C 3.55Å; V36-R44 WeakPolarHBondContact O-CA 3.08Å |
| 45 | I | 96.1 | Very high | 89.9 | Confident | 102 Ų | 102 | 96.1 Ų | 96.1 | 52% | 0.523 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 142.8 | 177.4 | -65.7 | 175.8 | 0 | 0 | 0 | 108.7 | V36 V38 K47 | V36-I45 PolarHBondContact N-O 3.3Å; V36-I45 PolarHBondContact O-N 3.42Å; V38-I45 HydrophobicContact CG2-CB 4Å; V38-I45 HydrophobicContact CG2-CD1 3.32Å; V38-I45 HydrophobicContact CG2-CG1 3.41Å; V38-I45 VanDerWaalsContact CG2-CG1 3.41Å; I45-K47 PolarHBondContact O-N 3.42Å |
| 46 | F | 96.5 | Very high | 88.7 | Confident | 87 Ų | 87 | 92.3 Ų | 92.3 | 38% | 0.382 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 119.8 | 169.9 | -80.5 | -64.5 | 0 | 0 | 0 | 111.1 | K33 R34 W35 | K33-F46 HydrophobicContact CD-CB 4.21Å; K33-F46 HydrophobicContact CD-CD1 4.12Å; K33-F46 HydrophobicContact CD-CG 4.14Å; K33-F46 HydrophobicContact CG-CB 3.87Å; K33-F46 HydrophobicContact CG-CD1 3.56Å; K33-F46 HydrophobicContact CG-CE1 4.2Å; K33-F46 HydrophobicContact CG-CG 3.91Å; R34-F46 WeakPolarHBondContact O-CA 3.3Å; W35-F46 AromaticContact CD1-CE1 3.6Å; W35-F46 AromaticContact CD1-CZ 3.92Å; W35-F46 AromaticContact CD2-CD1 3.77Å; W35-F46 HydrophobicContact CD2-CD1 3.77Å; W35-F46 HydrophobicContact CD2-CD2 4.06Å; W35-F46 AromaticContact CD2-CE1 3.66Å; W35-F46 HydrophobicContact CD2-CE1 3.66Å; W35-F46 AromaticContact CD2-CE2 3.97Å; W35-F46 HydrophobicContact CD2-CE2 3.97Å; W35-F46 AromaticContact CD2-CG 4Å; W35-F46 HydrophobicContact CD2-CG 4Å; W35-F46 AromaticContact CD2-CZ 3.78Å; W35-F46 HydrophobicContact CD2-CZ 3.78Å; W35-F46 AromaticContact CE2-CD1 3.99Å; W35-F46 AromaticContact CE2-CD2 3.86Å; W35-F46 AromaticContact CE2-CE1 3.44Å; W35-F46 VanDerWaalsContact CE2-CE1 3.44Å; W35-F46 AromaticContact CE2-CE2 3.31Å; W35-F46 AromaticContact CE2-CZ 3.08Å; W35-F46 HydrophobicContact CE3-CD1 4.1Å; W35-F46 AromaticContact CE3-CD2 3.91Å; W35-F46 HydrophobicContact CE3-CD2 3.91Å; W35-F46 HydrophobicContact CE3-CE1 4.39Å; W35-F46 HydrophobicContact CE3-CE2 4.22Å; W35-F46 AromaticContact CE3-CG 3.89Å; W35-F46 HydrophobicContact CE3-CG 3.89Å; W35-F46 HydrophobicContact CE3-CZ 4.45Å; W35-F46 HydrophobicContact CG-CD1 4.03Å; W35-F46 AromaticContact CG-CE1 3.81Å; W35-F46 HydrophobicContact CG-CE1 3.81Å; W35-F46 HydrophobicContact CG-CZ 4.28Å; W35-F46 AromaticContact CH2-CD2 3.41Å; W35-F46 HydrophobicContact CH2-CD2 3.41Å; W35-F46 VanDerWaalsContact CH2-CD2 3.41Å; W35-F46 AromaticContact CH2-CE2 3.3Å; W35-F46 HydrophobicContact CH2-CE2 3.3Å; W35-F46 HydrophobicContact CH2-CG 4.24Å; W35-F46 HydrophobicContact CH2-CZ 4.02Å; W35-F46 AromaticContact CZ2-CD2 3.58Å; W35-F46 HydrophobicContact CZ2-CD2 3.58Å; W35-F46 HydrophobicContact CZ2-CE1 4.05Å; W35-F46 AromaticContact CZ2-CE2 2.97Å; W35-F46 HydrophobicContact CZ2-CE2 2.97Å; W35-F46 HydrophobicContact CZ2-CG 4.35Å; W35-F46 AromaticContact CZ2-CZ 3.26Å; W35-F46 HydrophobicContact CZ2-CZ 3.26Å; W35-F46 AromaticContact CZ3-CD2 3.57Å; W35-F46 HydrophobicContact CZ3-CD2 3.57Å; W35-F46 AromaticContact CZ3-CE2 3.91Å; W35-F46 HydrophobicContact CZ3-CE2 3.91Å; W35-F46 AromaticContact CZ3-CG 3.99Å; W35-F46 HydrophobicContact CZ3-CG 3.99Å; W35-F46 AromaticContact NE1-CE1 3.36Å; W35-F46 AromaticContact NE1-CE2 3.91Å; W35-F46 AromaticContact NE1-CZ 3.17Å |
| 47 | K | 96.2 | Very high | 87.4 | Confident | 126 Ų | 126 | 93.7 Ų | 93.7 | 55% | 0.548 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 145.5 | 170.5 | -162.4 | 169 | 76.5 | -177.8 | 0 | 109.4 | R34 V36 I45 V49 | R34-K47 PolarHBondContact N-O 2.96Å; R34-K47 PolarHBondContact O-N 2.88Å; V36-K47 HydrophobicContact CB-CB 4.36Å; V36-K47 HydrophobicContact CG2-CB 3.85Å; I45-K47 PolarHBondContact O-N 3.42Å; K47-V49 PolarHBondContact O-N 2.66Å |
| 48 | W | 96.8 | Very high | 86 | Confident | 154 Ų | 154 | 96.1 Ų | 96.1 | 58% | 0.583 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74 | 115.9 | 167.1 | -66 | 102.2 | 0 | 0 | 0 | 108.8 | W31 E32 K33 | W31-W48 HydrophobicContact CB-CB 4.38Å; W31-W48 HydrophobicContact CB-CE3 4.16Å; W31-W48 HydrophobicContact CD2-CB 4.5Å; W31-W48 HydrophobicContact CE3-CB 3.56Å; W31-W48 HydrophobicContact CZ3-CB 4.24Å; W31-W48 WeakPolarHBondContact O-CZ3 3.28Å; E32-W48 WeakPolarHBondContact O-CA 3.26Å; K33-W48 HydrophobicContact CB-CD2 4.4Å; K33-W48 HydrophobicContact CB-CE3 4.09Å; K33-W48 HydrophobicContact CB-CH2 4.2Å; K33-W48 HydrophobicContact CB-CZ3 3.99Å |
| 49 | V | 94.8 | Very high | 84.7 | Confident | 42 Ų | 42 | 102.4 Ų | 102.4 | 26% | 0.255 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 134.2 | -178 | -177.7 | 0 | 0 | 0 | 0 | 108.3 | W31 E32 R34 V36 K47 V51 | W31-V49 WeakPolarHBondContact CA-O 3.49Å; E32-V49 PolarHBondContact N-O 2.84Å; E32-V49 PolarHBondContact O-N 3.2Å; R34-V49 HydrophobicContact CB-CG2 4.03Å; V36-V49 HydrophobicContact CG2-CG2 3.95Å; K47-V49 PolarHBondContact O-N 2.66Å; V49-V51 PolarHBondContact O-N 3.27Å |
| 50 | P | 95 | Very high | 83.6 | Confident | 79 Ų | 79 | 104.9 Ų | 104.9 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 127.7 | 176.2 | -20.3 | 31.2 | 0 | 0 | 0 | 111.3 | W31 | W31-P50 HydrophobicContact CZ2-CG 4.01Š|
| 51 | V | 91.6 | Very high | 82.8 | Confident | 50 Ų | 50 | 106.1 Ų | 106.1 | 30% | 0.303 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -100.1 | 120.3 | 167.9 | -171.2 | 0 | 0 | 0 | 0 | 108.4 | R30 E32 V49 | R30-V51 WeakPolarHBondContact O-CB 3.45Å; R30-V51 WeakPolarHBondContact O-CG2 3.23Å; E32-V51 HydrophobicContact CB-CG2 3.56Å; E32-V51 HydrophobicContact CG-CG2 3.18Å; V49-V51 PolarHBondContact O-N 3.27Å |
| 52 | V | 82.6 | Confident | 81.6 | Confident | 62 Ų | 62 | 107 Ų | 107 | 38% | 0.376 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -103.5 | 122.8 | 169.3 | -175.7 | 0 | 0 | 0 | 0 | 107.1 | E56 E57 | V52-E56 HydrophobicContact CG1-CB 4.33Å; V52-E57 HydrophobicContact CG1-CB 4.18Å |
| 53 | D | 76.4 | Confident | 80.1 | Confident | 74 Ų | 74 | 103.6 Ų | 103.6 | 40% | 0.396 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 133.6 | 172.4 | -82.5 | -55.5 | 0 | 0 | 0 | 109.2 | R30 Q55 E56 E57 | R30-D53 IonicContact CZ-OD2 3.84Å; R30-D53 IonicContact NE-OD2 3.94Å; R30-D53 IonicContact NH1-OD2 2.96Å; R30-D53 PolarHBondContact NH1-OD2 3.28Å; D53-Q55 PolarHBondContact O-N 2.84Å; D53-Q55 VanDerWaalsContact O-N 3.07Å; D53-E56 HydrophobicContact CB-CB 4.39Å; D53-E56 WeakPolarHBondContact O-CA 3.46Å; D53-E56 WeakPolarHBondContact O-CB 3.39Å; D53-E56 PolarHBondContact O-N 2.71Å; D53-E57 PolarHBondContact O-N 3.4Å; D53-E57 VanDerWaalsContact O-N 3.1Å |
| 54 | P | 72.5 | Confident | 78.2 | Confident | 105 Ų | 105 | 100.8 Ų | 100.8 | 68% | 0.682 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -57.9 | -28.5 | -178.8 | 19.8 | -30.5 | 0 | 0 | 0 | 112.4 | E57 E58 | P54-E57 PolarHBondContact O-N 3.38Å; P54-E58 PolarHBondContact O-N 3.12Å |
| 55 | Q | 66.2 | Low | 76.1 | Confident | 143 Ų | 143 | 96.3 Ų | 96.3 | 67% | 0.668 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -70 | -32.5 | 174.6 | -170.6 | -179.6 | 63.3 | 0 | 0 | 113.3 | D53 R59 | D53-Q55 PolarHBondContact O-N 2.84Å; D53-Q55 VanDerWaalsContact O-N 3.07Å; Q55-R59 WeakPolarHBondContact O-CG 3.44Å; Q55-R59 PolarHBondContact O-N 3.06Å |
| 56 | E | 70.8 | Confident | 73.9 | Confident | 48 Ų | 48 | 94.4 Ų | 94.4 | 22% | 0.224 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -74.3 | -37.9 | 174.3 | -171.2 | -177.2 | 175.2 | 0 | 0 | 110.7 | R30 V52 D53 E58 R59 R60 | R30-E56 IonicContact NH1-OE2 3.69Å; R30-E56 PolarHBondContact NH1-OE2 2.91Å; V52-E56 HydrophobicContact CG1-CB 4.33Å; D53-E56 HydrophobicContact CB-CB 4.39Å; D53-E56 WeakPolarHBondContact O-CA 3.46Å; D53-E56 WeakPolarHBondContact O-CB 3.39Å; D53-E56 PolarHBondContact O-N 2.71Å; E56-E58 VanDerWaalsContact C-N 3.35Å; E56-R59 PolarHBondContact O-N 3.41Å; E56-R60 WeakPolarHBondContact O-CG 3.34Å; E56-R60 PolarHBondContact O-N 2.89Å; E56-R60 IonicContact OE1-CZ 3.36Å; E56-R60 IonicContact OE1-NE 3.35Å; E56-R60 PolarHBondContact OE1-NE 3.42Å; E56-R60 IonicContact OE1-NH2 3.57Å; E56-R60 PolarHBondContact OE1-NH2 3.2Å; E56-R60 IonicContact OE2-NH2 2.72Å |
| 57 | E | 69 | Low | 71.7 | Confident | 81 Ų | 81 | 98.7 Ų | 98.7 | 38% | 0.379 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 174.6 | -176.4 | 164.1 | -139.5 | 0 | 0 | 111.6 | V52 D53 P54 R59 R60 R61 | V52-E57 HydrophobicContact CG1-CB 4.18Å; D53-E57 PolarHBondContact O-N 3.4Å; D53-E57 VanDerWaalsContact O-N 3.1Å; P54-E57 PolarHBondContact O-N 3.38Å; E57-R59 VanDerWaalsContact C-N 3.33Å; E57-R59 PolarHBondContact O-N 2.85Å; E57-R60 PolarHBondContact O-N 2.83Å; E57-R61 VanDerWaalsContact CD-CZ 3.5Å; E57-R61 HydrophobicContact CG-CG 4.4Å; E57-R61 WeakPolarHBondContact O-CB 3.47Å; E57-R61 WeakPolarHBondContact O-CG 3.45Å; E57-R61 PolarHBondContact O-N 3.04Å; E57-R61 IonicContact OE1-CZ 3.39Å; E57-R61 IonicContact OE1-NE 3.52Å; E57-R61 IonicContact OE1-NH2 2.77Å; E57-R61 PolarHBondContact OE1-NH2 3.27Å; E57-R61 IonicContact OE2-CZ 3.89Å; E57-R61 IonicContact OE2-NH2 3.52Å |
| 58 | E | 65.5 | Low | 69.7 | Low | 131 Ų | 131 | 103.5 Ų | 103.5 | 61% | 0.612 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -58.8 | -43.3 | 173.3 | -174.1 | 178.1 | -145.7 | 0 | 0 | 111.7 | P54 E56 R60 R61 A62 | P54-E58 PolarHBondContact O-N 3.12Å; E56-E58 VanDerWaalsContact C-N 3.35Å; E58-R60 VanDerWaalsContact C-N 3.34Å; E58-R60 PolarHBondContact O-N 3.38Å; E58-R61 PolarHBondContact O-N 3.35Å; E58-A62 WeakPolarHBondContact O-CB 3.49Å; E58-A62 PolarHBondContact O-N 3.26Å |
| 59 | R | 66.4 | Low | 67.4 | Low | 192 Ų | 192 | 98.7 Ų | 98.7 | 73% | 0.725 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.7 | -34.9 | 176 | -75 | -179.3 | 162.2 | -117.7 | -5.6 | 113.5 | Q55 E56 E57 G63 | Q55-R59 WeakPolarHBondContact O-CG 3.44Å; Q55-R59 PolarHBondContact O-N 3.06Å; E56-R59 PolarHBondContact O-N 3.41Å; E57-R59 VanDerWaalsContact C-N 3.33Å; E57-R59 PolarHBondContact O-N 2.85Å; R59-G63 PolarHBondContact O-N 3.2Å |
| 60 | R | 66.4 | Low | 65.4 | Low | 120 Ų | 120 | 106.4 Ų | 106.4 | 45% | 0.453 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.9 | -41.5 | 174.4 | -72.1 | 179.3 | -175 | 167.8 | 3.7 | 111.4 | E56 E57 E58 | E56-R60 WeakPolarHBondContact O-CG 3.34Å; E56-R60 PolarHBondContact O-N 2.89Å; E56-R60 IonicContact OE1-CZ 3.36Å; E56-R60 IonicContact OE1-NE 3.35Å; E56-R60 PolarHBondContact OE1-NE 3.42Å; E56-R60 IonicContact OE1-NH2 3.57Å; E56-R60 PolarHBondContact OE1-NH2 3.2Å; E56-R60 IonicContact OE2-NH2 2.72Å; E57-R60 PolarHBondContact O-N 2.83Å; E58-R60 VanDerWaalsContact C-N 3.34Å; E58-R60 PolarHBondContact O-N 3.38Å |
| 61 | R | 69.9 | Low | 63.1 | Low | 194 Ų | 194 | 106 Ų | 106 | 73% | 0.732 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -70.7 | -33.7 | 177.6 | -70.6 | -179.7 | -178.8 | 173.7 | 3.7 | 112.8 | E57 E58 | E57-R61 VanDerWaalsContact CD-CZ 3.5Å; E57-R61 HydrophobicContact CG-CG 4.4Å; E57-R61 WeakPolarHBondContact O-CB 3.47Å; E57-R61 WeakPolarHBondContact O-CG 3.45Å; E57-R61 PolarHBondContact O-N 3.04Å; E57-R61 IonicContact OE1-CZ 3.39Å; E57-R61 IonicContact OE1-NE 3.52Å; E57-R61 IonicContact OE1-NH2 2.77Å; E57-R61 PolarHBondContact OE1-NH2 3.27Å; E57-R61 IonicContact OE2-CZ 3.89Å; E57-R61 IonicContact OE2-NH2 3.52Å; E58-R61 PolarHBondContact O-N 3.35Å |
| 62 | A | 64.9 | Low | 61.1 | Low | 86 Ų | 86 | 113.5 Ų | 113.5 | 71% | 0.711 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -90.2 | -11.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | E58 | E58-A62 WeakPolarHBondContact O-CB 3.49Å; E58-A62 PolarHBondContact O-N 3.26Å |
| 63 | G | 56.6 | Low | 59.4 | Low | 44 Ų | 44 | 118.2 Ų | 118.2 | 45% | 0.454 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -175.4 | 11.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | R59 G65 A66 | R59-G63 PolarHBondContact O-N 3.2Å; G63-G65 PolarHBondContact O-N 3.03Å; G63-A66 PolarHBondContact O-N 3.25Å |
| 64 | G | 53.3 | Low | 58.2 | Low | 50 Ų | 50 | 126.1 Ų | 126.1 | 52% | 0.515 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.7 | -11.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 65 | G | 50.9 | Low | 57.4 | Low | 53 Ų | 53 | 132.4 Ų | 132.4 | 55% | 0.546 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -79.8 | -15.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | G63 S69 | G63-G65 PolarHBondContact O-N 3.03Å; G65-S69 WeakPolarHBondContact O-CB 3.35Å; G65-S69 PolarHBondContact O-N 2.84Å; G65-S69 PolarHBondContact O-OG 3.37Å; G65-S69 VanDerWaalsContact O-OG 3.06Å |
| 66 | A | 50.3 | Low | 56.3 | Low | 61 Ų | 61 | 129 Ų | 129 | 50% | 0.504 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -78.3 | -23.9 | -173 | 0 | 0 | 0 | 0 | 0 | 114.2 | G63 S69 | G63-A66 PolarHBondContact O-N 3.25Å; A66-S69 WeakPolarHBondContact CA-OG 3.39Å; A66-S69 PolarHBondContact O-OG 3.11Å; A66-S69 VanDerWaalsContact O-OG 3.08Å |
| 67 | E | 50.3 | Low | 55.3 | Low | 178 Ų | 178 | 139.2 Ų | 139.2 | 83% | 0.832 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -84.6 | -34.1 | 178.6 | -141.2 | -160.7 | 152.3 | 0 | 0 | 112.2 | ||
| 68 | R | 54.3 | Low | 54.1 | Low | 226 Ų | 226 | 138.6 Ų | 138.6 | 85% | 0.853 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -75.1 | -24.1 | 175.8 | -68.5 | -172.9 | -179.2 | -144.8 | 0.8 | 113.2 | ||
| 69 | S | 48.9 | Very low | 52.6 | Low | 53 Ų | 53 | 137.1 Ų | 137.1 | 37% | 0.371 | 70% | 0.703 | S | S | . | * | H | α-helix | trans | -76.6 | -30.2 | -177.3 | 53.7 | 0 | 0 | 0 | 0 | 114 | G65 A66 G71 R72 E73 | G65-S69 WeakPolarHBondContact O-CB 3.35Å; G65-S69 PolarHBondContact O-N 2.84Å; G65-S69 PolarHBondContact O-OG 3.37Å; G65-S69 VanDerWaalsContact O-OG 3.06Å; A66-S69 WeakPolarHBondContact CA-OG 3.39Å; A66-S69 PolarHBondContact O-OG 3.11Å; A66-S69 VanDerWaalsContact O-OG 3.08Å; S69-G71 PolarHBondContact O-N 3.41Å; S69-R72 PolarHBondContact O-N 2.93Å; S69-E73 PolarHBondContact O-N 3.34Å |
| 70 | R | 52 | Low | 51.4 | Low | 205 Ų | 205 | 133.6 Ų | 133.6 | 77% | 0.774 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -20.2 | -180 | -69.1 | -173.8 | 178.9 | 175.4 | 1.3 | 114.1 | ||
| 71 | G | 45.8 | Very low | 50.6 | Low | 69 Ų | 69 | 133 Ų | 133 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -18.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S69 | S69-G71 PolarHBondContact O-N 3.41Š|
| 72 | R | 51.4 | Low | 49.5 | Very low | 208 Ų | 208 | 135.4 Ų | 135.4 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -26.4 | -177 | -166.7 | 171.6 | -178.9 | -112.3 | 1.5 | 113 | S69 R74 R75 | S69-R72 PolarHBondContact O-N 2.93Å; R72-R74 VanDerWaalsContact C-N 3.25Å; R72-R74 PolarHBondContact O-N 3.05Å; R72-R75 PolarHBondContact O-N 2.86Å |
| 73 | E | 46.2 | Very low | 48.2 | Very low | 162 Ų | 162 | 135.2 Ų | 135.2 | 76% | 0.757 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -11.1 | -175.8 | -86.9 | -177.2 | 118.7 | 0 | 0 | 115.5 | S69 | S69-E73 PolarHBondContact O-N 3.34Š|
| 74 | R | 51.5 | Low | 47.5 | Very low | 240 Ų | 240 | 137.1 Ų | 137.1 | 91% | 0.906 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -0.2 | 172.3 | -68.7 | -149.2 | -176.1 | -95.1 | 1.9 | 114.8 | R72 | R72-R74 VanDerWaalsContact C-N 3.25Å; R72-R74 PolarHBondContact O-N 3.05Å |
| 75 | R | 54.3 | Low | 46.8 | Very low | 236 Ų | 236 | 138 Ų | 138 | 89% | 0.891 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -132.4 | 72.9 | 174.5 | -68.5 | -166.3 | -170.8 | -118.8 | 6.2 | 112 | R72 | R72-R75 PolarHBondContact O-N 2.86Š|
| 76 | G | 43.6 | Very low | 46.8 | Very low | 71 Ų | 71 | 141.4 Ų | 141.4 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | trans | 156.5 | 57.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 77 | R | 51.1 | Low | 47.1 | Very low | 264 Ų | 264 | 146.7 Ų | 146.7 | 100% | 0.996 | 80% | 0.795 | S | S | * | * | trans | -94.5 | 91 | 152.5 | -171.6 | -171.2 | -94.2 | -110.9 | 4.9 | 106.3 | ||||
| 78 | G | 42.3 | Very low | 47.6 | Very low | 67 Ų | 67 | 145.1 Ų | 145.1 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | trans | 172.4 | 112.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 79 | A | 35.5 | Very low | 47.9 | Very low | 101 Ų | 101 | 141.3 Ų | 141.3 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | 64.4 | 97.8 | 159.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 80 | S | 40.6 | Very low | 48.7 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | -92 | 134.2 | 126.6 | -173.6 | 0 | 0 | 0 | 0 | 105.8 | |||||
| 81 | P | 48.6 | Very low | 48.9 | Very low | 109 Ų | 109 | 142.7 Ų | 142.7 | 71% | 0.708 | 80% | 0.804 | S | S | * | * | -145.6 | 147.5 | 87.6 | 35.1 | -16.7 | 0 | 0 | 0 | 115.4 | |||||
| 82 | R | 47.4 | Very low | 49.4 | Very low | 244 Ų | 244 | 146.5 Ų | 146.5 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | trans | 42.5 | 117.1 | 144.7 | -73.7 | 178 | 133.8 | 142 | -3.7 | 119.1 | ||||
| 83 | G | 38.4 | Very low | 49.8 | Very low | 81 Ų | 81 | 144.1 Ų | 144.1 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | 147.1 | 109.5 | 146.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 84 | G | 41.5 | Very low | 50.3 | Low | 84 Ų | 84 | 141.5 Ų | 141.5 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | trans | 78.8 | 112.1 | 144 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 85 | G | 38.7 | Very low | 50.3 | Low | 68 Ų | 68 | 139.9 Ų | 139.9 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | trans | 105.4 | 127.8 | 144.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | L87 | G85-L87 PolarHBondContact O-N 3.33Š| ||
| 86 | P | 51.3 | Low | 50.4 | Low | 125 Ų | 125 | 135.6 Ų | 135.6 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | trans | -83.4 | 94.9 | 168 | 33.6 | -25.9 | 0 | 0 | 0 | 108.3 | I88 | P86-I88 PolarHBondContact O-N 3.27Š| ||
| 87 | L | 55.8 | Low | 50.6 | Low | 173 Ų | 173 | 136 Ų | 136 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | trans | -78.2 | 103.3 | 161 | -68.7 | -176.9 | 0 | 0 | 0 | 108.2 | G85 L89 | G85-L87 PolarHBondContact O-N 3.33Å; L87-L89 PolarHBondContact O-N 3.23Å; L87-L89 VanDerWaalsContact O-N 3.11Å | ||
| 88 | I | 60.6 | Low | 50.5 | Low | 145 Ų | 145 | 130.6 Ų | 130.6 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | trans | -45 | 105.7 | 164.6 | -62.7 | -174.4 | 0 | 0 | 0 | 109.2 | P86 L90 | P86-I88 PolarHBondContact O-N 3.27Å; I88-L90 VanDerWaalsContact C-N 3.32Å; I88-L90 HydrophobicContact CG2-CB 3.51Å | ||
| 89 | L | 60.7 | Low | 50.9 | Low | 145 Ų | 145 | 135.8 Ų | 135.8 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | trans | -99.2 | 56.5 | 165.2 | -173.1 | 60.9 | 0 | 0 | 0 | 109.2 | L87 D91 L92 | L87-L89 PolarHBondContact O-N 3.23Å; L87-L89 VanDerWaalsContact O-N 3.11Å; L89-D91 VanDerWaalsContact C-N 3.25Å; L89-D91 PolarHBondContact O-N 3.48Å; L89-L92 HydrophobicContact CD1-CD1 4.13Å | ||
| 90 | L | 64.7 | Low | 51.6 | Low | 156 Ų | 156 | 134.3 Ų | 134.3 | 82% | 0.817 | 77% | 0.772 | S | S | * | * | trans | -89.8 | 33.9 | -176.6 | -148.1 | 81.5 | 0 | 0 | 0 | 113.1 | I88 | I88-L90 VanDerWaalsContact C-N 3.32Å; I88-L90 HydrophobicContact CG2-CB 3.51Å | ||
| 91 | D | 58.2 | Low | 51.8 | Low | 131 Ų | 131 | 137.8 Ų | 137.8 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | trans | -154.2 | 90.2 | 173.8 | -162.6 | 31.4 | 0 | 0 | 0 | 112.4 | L89 | L89-D91 VanDerWaalsContact C-N 3.25Å; L89-D91 PolarHBondContact O-N 3.48Å | ||
| 92 | L | 56 | Low | 51.4 | Low | 150 Ų | 150 | 140.3 Ų | 140.3 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -162.5 | 23.6 | 166.1 | -99.5 | 145 | 0 | 0 | 0 | 111.4 | L89 | L89-L92 HydrophobicContact CD1-CD1 4.13Š| ||
| 93 | N | 59.7 | Low | 51.7 | Low | 157 Ų | 157 | 133.8 Ų | 133.8 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | trans | -124.2 | 49.9 | 178.3 | -164.9 | 82 | 0 | 0 | 0 | 111.2 | ||||
| 94 | D | 55.6 | Low | 51.9 | Low | 108 Ų | 108 | 139.2 Ų | 139.2 | 58% | 0.578 | 77% | 0.77 | S | S | * | * | trans | -113.8 | 31.6 | 168.1 | -159.7 | -117.1 | 0 | 0 | 0 | 112.6 | N96 S97 | D94-N96 PolarHBondContact O-N 2.89Å; D94-S97 WeakPolarHBondContact OD1-CB 3.27Å; D94-S97 PolarHBondContact OD1-OG 3.33Å | ||
| 95 | E | 52.3 | Low | 52.3 | Low | 205 Ų | 205 | 139 Ų | 139 | 96% | 0.958 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 39.2 | 167.9 | -80.2 | -131.4 | 98.7 | 0 | 0 | 112.3 | ||
| 96 | N | 55.7 | Low | 52.4 | Low | 147 Ų | 147 | 141 Ų | 141 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.8 | 11.7 | 167.6 | -173.1 | 57.9 | 0 | 0 | 0 | 112.4 | D94 N98 | D94-N96 PolarHBondContact O-N 2.89Å; N96-N98 PolarHBondContact O-N 3.05Å; N96-N98 VanDerWaalsContact O-N 3.14Å |
| 97 | S | 49.2 | Very low | 52.3 | Low | 78 Ų | 78 | 143.1 Ų | 143.1 | 55% | 0.545 | 77% | 0.774 | S | S | . | * | trans | -69.6 | 112.9 | 169.7 | -86.8 | 0 | 0 | 0 | 0 | 109.6 | D94 Q99 | D94-S97 WeakPolarHBondContact OD1-CB 3.27Å; D94-S97 PolarHBondContact OD1-OG 3.33Å; S97-Q99 PolarHBondContact O-N 3.23Å; S97-Q99 VanDerWaalsContact O-N 3.13Å | ||
| 98 | N | 48.8 | Very low | 51.7 | Low | 151 Ų | 151 | 143.5 Ų | 143.5 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | trans | -39.8 | 118.3 | 165 | -80.1 | -43.7 | 0 | 0 | 0 | 109.5 | N96 S100 | N96-N98 PolarHBondContact O-N 3.05Å; N96-N98 VanDerWaalsContact O-N 3.14Å; N98-S100 PolarHBondContact O-N 3.46Å | ||
| 99 | Q | 50.7 | Low | 51 | Low | 176 Ų | 176 | 147 Ų | 147 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | -68.9 | 72 | 165.9 | -76.4 | -100.8 | 1.8 | 0 | 0 | 108.8 | S97 F101 | S97-Q99 PolarHBondContact O-N 3.23Å; S97-Q99 VanDerWaalsContact O-N 3.13Å; Q99-F101 PolarHBondContact O-N 2.87Å | ||
| 100 | S | 48.3 | Very low | 50.1 | Low | 71 Ų | 71 | 143.6 Ų | 143.6 | 50% | 0.497 | 78% | 0.781 | S | S | . | * | trans | -78 | 108.3 | 157.8 | 48.2 | 0 | 0 | 0 | 0 | 107.3 | N98 H102 | N98-S100 PolarHBondContact O-N 3.46Å; S100-H102 VanDerWaalsContact C-N 3.29Å; S100-H102 PolarHBondContact O-CD2 2.93Å; S100-H102 PolarHBondContact O-N 3.19Å; S100-H102 PolarHBondContact OG-NE2 3.01Å | ||
| 101 | F | 45.2 | Very low | 48.7 | Very low | 190 Ų | 190 | 142.8 Ų | 142.8 | 83% | 0.833 | 78% | 0.783 | S | S | * | * | trans | -57 | 97.2 | 160.6 | -98.5 | -100.3 | 0 | 0 | 0 | 107.9 | Q99 S103 | Q99-F101 PolarHBondContact O-N 2.87Å; F101-S103 PolarHBondContact O-N 3.11Å; F101-S103 VanDerWaalsContact O-N 3.16Å | ||
| 102 | H | 40.3 | Very low | 47.8 | Very low | 162 Ų | 162 | 144.9 Ų | 144.9 | 75% | 0.75 | 79% | 0.788 | S | S | * | * | trans | -73.5 | 97.8 | 159.5 | -70.2 | -83.8 | 0 | 0 | 0 | 106.6 | S100 E104 | S100-H102 VanDerWaalsContact C-N 3.29Å; S100-H102 PolarHBondContact O-CD2 2.93Å; S100-H102 PolarHBondContact O-N 3.19Å; S100-H102 PolarHBondContact OG-NE2 3.01Å; H102-E104 PolarHBondContact O-N 3.23Å | ||
| 103 | S | 54.3 | Low | 47.6 | Very low | 107 Ų | 107 | 142.4 Ų | 142.4 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | -53.9 | 129.3 | 146.5 | -58.2 | 0 | 0 | 0 | 0 | 107.2 | F101 | F101-S103 PolarHBondContact O-N 3.11Å; F101-S103 VanDerWaalsContact O-N 3.16Å | ||
| 104 | E | 43.4 | Very low | 46.5 | Very low | 195 Ų | 195 | 140.7 Ų | 140.7 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | trans | -175.9 | 146.1 | 138.6 | -81.4 | -117.8 | 90.7 | 0 | 0 | 109 | H102 | H102-E104 PolarHBondContact O-N 3.23Š| ||
| 105 | G | 49.9 | Very low | 46.2 | Very low | 78 Ų | 78 | 141.8 Ų | 141.8 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -81.5 | 163.8 | -159.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 106 | S | 40.3 | Very low | 45.8 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | -134.7 | 111.5 | 156.1 | -164.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 107 | L | 48.5 | Very low | 44.9 | Very low | 169 Ų | 169 | 132.5 Ų | 132.5 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | trans | -58.3 | 124.3 | 173.9 | -70.2 | 145.8 | 0 | 0 | 0 | 110.9 | ||||
| 108 | Q | 43 | Very low | 44.7 | Very low | 181 Ų | 181 | 135 Ų | 135 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | -141.4 | 91.3 | 152.9 | -64.3 | -168.8 | 16.4 | 0 | 0 | 111.1 | ||||
| 109 | K | 46.9 | Very low | 44.4 | Very low | 217 Ų | 217 | 133.4 Ų | 133.4 | 94% | 0.943 | 80% | 0.799 | S | S | * | * | trans | 42.5 | 97.5 | 130.7 | -158.2 | 175.3 | -175.9 | -168.2 | 0 | 117.7 | ||||
| 110 | G | 40.2 | Very low | 44 | Very low | 74 Ų | 74 | 133 Ų | 133 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | trans | -145.6 | 101.1 | 157.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 111 | T | 37.2 | Very low | 43.6 | Very low | 140 Ų | 140 | 135.1 Ų | 135.1 | 86% | 0.859 | 81% | 0.809 | S | S | * | * | trans | 6.1 | 118.7 | 162 | -58.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 112 | E | 38.3 | Very low | 43.4 | Very low | 174 Ų | 174 | 131.7 Ų | 131.7 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | trans | -10.7 | 172.2 | 154.8 | -86.3 | -163.5 | 86.8 | 0 | 0 | 122.8 | ||||
| 113 | P | 52.5 | Low | 44 | Very low | 98 Ų | 98 | 135 Ų | 135 | 64% | 0.636 | 82% | 0.815 | S | S | * | * | cis | -138.5 | 158.4 | -34.7 | 35.8 | -18.2 | 0 | 0 | 0 | 113.8 | ||||
| 114 | S | 36 | Very low | 43.3 | Very low | 121 Ų | 121 | 136 Ų | 136 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | trans | -166.8 | 138.1 | 144.5 | -89.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 115 | P | 49.8 | Very low | 43.1 | Very low | 132 Ų | 132 | 133.3 Ų | 133.3 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | trans | -95.9 | 146.5 | -167.8 | 37.4 | -30.8 | 0 | 0 | 0 | 111.7 | ||||
| 116 | G | 42.4 | Very low | 42.8 | Very low | 85 Ų | 85 | 134.9 Ų | 134.9 | 88% | 0.876 | 81% | 0.813 | S | S | * | * | trans | 127.2 | 96.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 117 | G | 37.2 | Very low | 43.4 | Very low | 71 Ų | 71 | 135.4 Ų | 135.4 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | trans | 172 | 58.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | P119 | G117-P119 WeakPolarHBondContact O-CD 3.28Š| ||
| 118 | T | 45.3 | Very low | 42.8 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 80% | 0.798 | 81% | 0.813 | S | S | * | * | trans | -62.3 | 121.9 | 166.7 | -44.4 | 0 | 0 | 0 | 0 | 108.7 | Q120 | T118-Q120 PolarHBondContact O-N 3.09Š| ||
| 119 | P | 41.9 | Very low | 42.4 | Very low | 119 Ų | 119 | 127.1 Ų | 127.1 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -78.5 | 101.8 | 165.9 | 30 | -27.9 | 0 | 0 | 0 | 107.7 | G117 | G117-P119 WeakPolarHBondContact O-CD 3.28Š| ||
| 120 | Q | 42.6 | Very low | 42.3 | Very low | 166 Ų | 166 | 122.5 Ų | 122.5 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | -62.9 | 135 | 167.6 | -103.8 | -162.8 | -14.5 | 0 | 0 | 109.8 | T118 S122 | T118-Q120 PolarHBondContact O-N 3.09Å; Q120-S122 PolarHBondContact O-N 3.46Å | ||
| 121 | P | 39.8 | Very low | 42.6 | Very low | 117 Ų | 117 | 124.9 Ų | 124.9 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | -73.2 | 109.2 | 163.2 | 28.5 | -29.6 | 0 | 0 | 0 | 108.8 | R123 | P121-R123 PolarHBondContact O-N 2.87Å; P121-R123 VanDerWaalsContact O-N 3.14Å | ||
| 122 | S | 41.1 | Very low | 43.1 | Very low | 118 Ų | 118 | 127.9 Ų | 127.9 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -61.3 | 113.6 | 176 | -53.1 | 0 | 0 | 0 | 0 | 110.6 | Q120 | Q120-S122 PolarHBondContact O-N 3.46Š| ||
| 123 | R | 52.3 | Low | 43.1 | Very low | 232 Ų | 232 | 123.2 Ų | 123.2 | 88% | 0.875 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 145.6 | 165.9 | -72.1 | 174.9 | 154.5 | -164.8 | -6.6 | 109.9 | P121 V125 | P121-R123 PolarHBondContact O-N 2.87Å; P121-R123 VanDerWaalsContact O-N 3.14Å; R123-V125 PolarHBondContact O-N 3.32Å |
| 124 | P | 39.7 | Very low | 42.6 | Very low | 128 Ų | 128 | 125.3 Ų | 125.3 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 125.4 | 171.6 | 28.3 | -31 | 0 | 0 | 0 | 109.7 | ||
| 125 | V | 39.9 | Very low | 43 | Very low | 138 Ų | 138 | 124.7 Ų | 124.7 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 122.4 | 174.5 | 99.8 | 0 | 0 | 0 | 0 | 108.6 | R123 | R123-V125 PolarHBondContact O-N 3.32Š|
| 126 | S | 43.5 | Very low | 42.6 | Very low | 110 Ų | 110 | 126.3 Ų | 126.3 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -77 | 134.1 | 165.3 | -59.2 | 0 | 0 | 0 | 0 | 109 | ||
| 127 | P | 52.9 | Low | 42.9 | Very low | 124 Ų | 124 | 130.4 Ų | 130.4 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 123.7 | 170.5 | 31.4 | -27.8 | 0 | 0 | 0 | 110.1 | ||
| 128 | A | 35.4 | Very low | 43.8 | Very low | 103 Ų | 103 | 132 Ų | 132 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -70 | 135.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 129 | G | 34.3 | Very low | 43.8 | Very low | 72 Ų | 72 | 133 Ų | 133 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | trans | -103.8 | -171.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 130 | P | 45.5 | Very low | 44.1 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | cis | -126.6 | -175.9 | -13.9 | 37.9 | -19.7 | 0 | 0 | 0 | 112.7 | ||||
| 131 | P | 47.2 | Very low | 44.5 | Very low | 124 Ų | 124 | 130.4 Ų | 130.4 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | -134.3 | 141.5 | 118.4 | 36.2 | -27.4 | 0 | 0 | 0 | 115.1 | |||||
| 132 | E | 46.4 | Very low | 44.8 | Very low | 203 Ų | 203 | 134.8 Ų | 134.8 | 95% | 0.949 | 80% | 0.802 | S | S | * | * | trans | 16.1 | 113.6 | 153.4 | -102.7 | 152.8 | 87.5 | 0 | 0 | 120.2 | ||||
| 133 | G | 39.8 | Very low | 45.2 | Very low | 76 Ų | 76 | 137.1 Ų | 137.1 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | trans | 164.3 | 87.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 134 | V | 40.4 | Very low | 45.4 | Very low | 141 Ų | 141 | 130 Ų | 130 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | trans | -51.6 | 161.9 | 172.1 | -105.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 135 | P | 44.6 | Very low | 45.5 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 71% | 0.708 | 81% | 0.807 | S | S | * | * | cis | -131.1 | 177.9 | -26.8 | 33.1 | -12.9 | 0 | 0 | 0 | 112.9 | ||||
| 136 | E | 42.7 | Very low | 45.8 | Very low | 165 Ų | 165 | 134.4 Ų | 134.4 | 77% | 0.771 | 80% | 0.804 | S | S | * | * | trans | 75.8 | 115.2 | 154.5 | -105.4 | -174.2 | 72.9 | 0 | 0 | 120.9 | ||||
| 137 | E | 48.7 | Very low | 46 | Very low | 171 Ų | 171 | 141.3 Ų | 141.3 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | 77.7 | 78 | 124.8 | -153 | 163 | 116.3 | 0 | 0 | 119.2 | |||||
| 138 | A | 54.7 | Low | 45.4 | Very low | 104 Ų | 104 | 142.1 Ų | 142.1 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -145.2 | 51.8 | 145 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 139 | Q | 46.5 | Very low | 46.2 | Very low | 152 Ų | 152 | 142.9 Ų | 142.9 | 71% | 0.71 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -70.6 | 146.7 | 159.5 | -110.6 | -175.6 | -24.5 | 0 | 0 | 108.5 | ||
| 140 | P | 48.7 | Very low | 46.3 | Very low | 103 Ų | 103 | 143.2 Ų | 143.2 | 67% | 0.669 | 81% | 0.81 | S | S | * | * | trans | -58.3 | 138.9 | 166.6 | 27.8 | -32.9 | 0 | 0 | 0 | 107.7 | R142 | P140-R142 PolarHBondContact O-N 3.2Š| ||
| 141 | P | 50.8 | Low | 45.8 | Very low | 127 Ų | 127 | 140.6 Ų | 140.6 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -60.3 | 109.9 | -172.9 | 23.8 | -32.1 | 0 | 0 | 0 | 108.9 | L143 | P141-L143 PolarHBondContact O-N 3.18Š| ||
| 142 | R | 46.1 | Very low | 45.3 | Very low | 209 Ų | 209 | 142.4 Ų | 142.4 | 79% | 0.789 | 81% | 0.807 | S | S | * | * | trans | -73.9 | 119.4 | 165.4 | -63.7 | -165 | 76.6 | -166 | 1.5 | 106.1 | P140 G144 | P140-R142 PolarHBondContact O-N 3.2Å; R142-G144 PolarHBondContact O-N 3.26Å | ||
| 143 | L | 49.5 | Very low | 45 | Very low | 167 Ų | 167 | 139 Ų | 139 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -38.1 | 129.8 | 162.8 | -97.3 | 77.3 | 0 | 0 | 0 | 110.8 | P141 | P141-L143 PolarHBondContact O-N 3.18Š|
| 144 | G | 55.1 | Low | 45.3 | Very low | 83 Ų | 83 | 140.5 Ų | 140.5 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | trans | 92.4 | 63 | 151.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | R142 | R142-G144 PolarHBondContact O-N 3.26Š| ||
| 145 | Q | 43.8 | Very low | 45.1 | Very low | 194 Ų | 194 | 137.4 Ų | 137.4 | 91% | 0.907 | 80% | 0.801 | S | S | * | * | trans | -136.6 | 102 | 161.2 | -151.7 | 164.1 | 3.7 | 0 | 0 | 111 | ||||
| 146 | E | 45.3 | Very low | 45.2 | Very low | 165 Ų | 165 | 136.1 Ų | 136.1 | 77% | 0.771 | 80% | 0.795 | S | S | * | * | trans | -67 | 137.9 | 173.8 | -67.5 | -163.5 | 92.9 | 0 | 0 | 111.1 | ||||
| 147 | R | 47.6 | Very low | 45.1 | Very low | 254 Ų | 254 | 132.8 Ų | 132.8 | 96% | 0.958 | 79% | 0.786 | S | S | * | * | trans | -131.4 | 103.9 | 166.6 | -156.1 | -179.8 | -178.5 | -162.8 | 0.9 | 108.4 | ||||
| 148 | D | 40.4 | Very low | 45.3 | Very low | 141 Ų | 141 | 132.3 Ų | 132.3 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | trans | -96 | 156.4 | 169.7 | -160.1 | -112.4 | 0 | 0 | 0 | 107.7 | ||||
| 149 | P | 51.8 | Low | 44.8 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | cis | -138.6 | 147.1 | 31.2 | 38.6 | -18 | 0 | 0 | 0 | 117.7 | ||||
| 150 | G | 36.7 | Very low | 45.3 | Very low | 79 Ų | 79 | 129.9 Ų | 129.9 | 81% | 0.814 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 120.3 | 88.4 | 152.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 151 | G | 36 | Very low | 45.8 | Very low | 67 Ų | 67 | 131.3 Ų | 131.3 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | S | Bend | trans | 142.5 | 82.9 | 159.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 152 | I | 36.6 | Very low | 45.5 | Very low | 162 Ų | 162 | 131.2 Ų | 131.2 | 83% | 0.831 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 70.8 | 111.7 | 154.3 | 67 | 163.4 | 0 | 0 | 0 | 120 | ||
| 153 | T | 39.1 | Very low | 45.7 | Very low | 131 Ų | 131 | 129.3 Ų | 129.3 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | 74 | 83.2 | 148.7 | 63.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 154 | A | 45.5 | Very low | 45.3 | Very low | 107 Ų | 107 | 127.7 Ų | 127.7 | 88% | 0.884 | 77% | 0.77 | S | S | * | * | 56.4 | 113.5 | 117 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 155 | G | 37 | Very low | 45.1 | Very low | 76 Ų | 76 | 133.1 Ų | 133.1 | 78% | 0.784 | 77% | 0.77 | S | S | * | * | trans | 117.1 | 70.6 | 137.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | T157 | G155-T157 PolarHBondContact O-N 3.14Š| ||
| 156 | S | 46.8 | Very low | 45.6 | Very low | 83 Ų | 83 | 133 Ų | 133 | 58% | 0.58 | 77% | 0.769 | S | S | * | * | trans | -51.7 | 123.4 | 146 | 129.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 157 | T | 40.3 | Very low | 45.8 | Very low | 95 Ų | 95 | 133 Ų | 133 | 58% | 0.583 | 77% | 0.769 | S | S | * | * | trans | -179 | 108.3 | 130.5 | -67.6 | 0 | 0 | 0 | 0 | 107.4 | G155 E159 | G155-T157 PolarHBondContact O-N 3.14Å; T157-E159 HydrophobicContact CG2-CB 3.69Å; T157-E159 HydrophobicContact CG2-CG 4.04Å; T157-E159 PolarHBondContact O-N 3.38Å | ||
| 158 | D | 53 | Low | 46.5 | Very low | 160 Ų | 160 | 125.5 Ų | 125.5 | 86% | 0.856 | 75% | 0.753 | S | S | * | * | trans | -63.6 | 89 | 152 | 177.1 | 65.9 | 0 | 0 | 0 | 106.8 | ||||
| 159 | E | 45.1 | Very low | 46.3 | Very low | 111 Ų | 111 | 125.2 Ų | 125.2 | 52% | 0.519 | 76% | 0.756 | S | S | . | * | trans | -105.6 | 121.8 | 169.2 | -138.1 | -174.1 | 89 | 0 | 0 | 106.1 | T157 M162 | T157-E159 HydrophobicContact CG2-CB 3.69Å; T157-E159 HydrophobicContact CG2-CG 4.04Å; T157-E159 PolarHBondContact O-N 3.38Å; E159-M162 VanDerWaalsContact CD-SD 3.51Å; E159-M162 HydrophobicContact CG-CG 4.14Å; E159-M162 HydrophobicContact CG-SD 4.07Å; E159-M162 WeakPolarHBondContact OE1-CB 3.35Å; E159-M162 WeakPolarHBondContact OE1-CG 3.49Å | ||
| 160 | P | 57.2 | Low | 46.1 | Very low | 94 Ų | 94 | 124.3 Ų | 124.3 | 61% | 0.61 | 75% | 0.75 | S | S | * | * | trans | -56.2 | 145.3 | 162.1 | 28.6 | -33.1 | 0 | 0 | 0 | 106.6 | M162 | P160-M162 VanDerWaalsContact C-N 3.33Å; P160-M162 PolarHBondContact O-N 3.4Å | ||
| 161 | P | 59.1 | Low | 46.4 | Very low | 134 Ų | 134 | 127.3 Ų | 127.3 | 87% | 0.87 | 74% | 0.743 | S | S | * | * | trans | -54.6 | 101.7 | -179.8 | 22.2 | -32.6 | 0 | 0 | 0 | 108.9 | L163 | P161-L163 PolarHBondContact O-N 3.47Š| ||
| 162 | M | 44.4 | Very low | 46.6 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 62% | 0.616 | 75% | 0.754 | S | S | * | * | trans | -65 | 121.9 | 176.5 | -82.3 | -174.1 | 45.1 | 0 | 0 | 105.6 | E159 P160 T164 | E159-M162 VanDerWaalsContact CD-SD 3.51Å; E159-M162 HydrophobicContact CG-CG 4.14Å; E159-M162 HydrophobicContact CG-SD 4.07Å; E159-M162 WeakPolarHBondContact OE1-CB 3.35Å; E159-M162 WeakPolarHBondContact OE1-CG 3.49Å; P160-M162 VanDerWaalsContact C-N 3.33Å; P160-M162 PolarHBondContact O-N 3.4Å; M162-T164 VanDerWaalsContact C-N 3.26Å; M162-T164 PolarHBondContact O-N 3.35Å | ||
| 163 | L | 48.5 | Very low | 46.6 | Very low | 168 Ų | 168 | 130.3 Ų | 130.3 | 88% | 0.88 | 74% | 0.744 | S | S | * | * | trans | -53.1 | 92.7 | 168.6 | -172.6 | 71.4 | 0 | 0 | 0 | 107.8 | P161 K165 | P161-L163 PolarHBondContact O-N 3.47Å; L163-K165 VanDerWaalsContact C-N 3.32Å; L163-K165 PolarHBondContact O-N 3.09Å | ||
| 164 | T | 41.5 | Very low | 46.6 | Very low | 134 Ų | 134 | 133 Ų | 133 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | trans | -70.4 | 96.1 | 175.6 | 45.2 | 0 | 0 | 0 | 0 | 107.8 | M162 E166 | M162-T164 VanDerWaalsContact C-N 3.26Å; M162-T164 PolarHBondContact O-N 3.35Å; T164-E166 PolarHBondContact O-N 3.34Å | ||
| 165 | K | 51.9 | Low | 46.3 | Very low | 197 Ų | 197 | 132.4 Ų | 132.4 | 86% | 0.857 | 74% | 0.742 | S | S | * | * | trans | -73.9 | 96.1 | 163 | -156.3 | -178.2 | -172.8 | -173.8 | 0 | 105.9 | L163 | L163-K165 VanDerWaalsContact C-N 3.32Å; L163-K165 PolarHBondContact O-N 3.09Å | ||
| 166 | E | 54.5 | Low | 46.3 | Very low | 192 Ų | 192 | 138 Ų | 138 | 90% | 0.897 | 75% | 0.748 | S | S | * | * | trans | -105.2 | 120 | 161.5 | -160.4 | -175.3 | 105.8 | 0 | 0 | 108.4 | T164 | T164-E166 PolarHBondContact O-N 3.34Š| ||
| 167 | E | 48.9 | Very low | 46.1 | Very low | 163 Ų | 163 | 141.8 Ų | 141.8 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | trans | -86.4 | 177.7 | 179.9 | -138.5 | -162.1 | 93.2 | 0 | 0 | 110 | ||||
| 168 | P | 61.6 | Low | 46 | Very low | 98 Ų | 98 | 142.3 Ų | 142.3 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | trans | -100.6 | -172.6 | -130.2 | 30.1 | -5.8 | 0 | 0 | 0 | 112.4 | ||||
| 169 | V | 37.2 | Very low | 45.1 | Very low | 135 Ų | 135 | 137.5 Ų | 137.5 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | 150 | 140.5 | 149 | 160.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 170 | P | 46.6 | Very low | 44.7 | Very low | 99 Ų | 99 | 137.8 Ų | 137.8 | 64% | 0.643 | 77% | 0.766 | S | S | * | * | -132.5 | 167.6 | -53.7 | 41.8 | -22.5 | 0 | 0 | 0 | 112.2 | |||||
| 171 | E | 43.2 | Very low | 44.5 | Very low | 142 Ų | 142 | 144.6 Ų | 144.6 | 66% | 0.664 | 78% | 0.78 | S | S | * | * | trans | 35.4 | 96.5 | 131.2 | -155.3 | 169.7 | 177.6 | 0 | 0 | 119.7 | L173 | E171-L173 HydrophobicContact CG-CD1 4.25Å; E171-L173 HydrophobicContact CG-CD2 3.31Å; E171-L173 HydrophobicContact CG-CG 3.65Å; E171-L173 WeakPolarHBondContact OE1-CD2 3.31Å | ||
| 172 | L | 40 | Very low | 43.6 | Very low | 177 Ų | 177 | 145.9 Ų | 145.9 | 93% | 0.927 | 78% | 0.776 | S | S | * | * | trans | -125 | 86.7 | 141.1 | -75.7 | -173.1 | 0 | 0 | 0 | 109.2 | E174 | L172-E174 PolarHBondContact O-N 3.03Š| ||
| 173 | L | 38.3 | Very low | 43.6 | Very low | 116 Ų | 116 | 145.5 Ų | 145.5 | 61% | 0.607 | 78% | 0.781 | S | S | * | * | trans | -24.7 | 118.6 | 151.4 | -41.5 | 176.5 | 0 | 0 | 0 | 111.5 | E171 | E171-L173 HydrophobicContact CG-CD1 4.25Å; E171-L173 HydrophobicContact CG-CD2 3.31Å; E171-L173 HydrophobicContact CG-CG 3.65Å; E171-L173 WeakPolarHBondContact OE1-CD2 3.31Å | ||
| 174 | E | 37.7 | Very low | 43.5 | Very low | 186 Ų | 186 | 149.8 Ų | 149.8 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | 72.9 | 141.2 | 95.2 | -65.4 | -140.1 | 105.4 | 0 | 0 | 115.8 | L172 | L172-E174 PolarHBondContact O-N 3.03Š| |||
| 175 | A | 38.8 | Very low | 43.7 | Very low | 95 Ų | 95 | 154.4 Ų | 154.4 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | 74.6 | 126.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 176 | E | 37.9 | Very low | 43.3 | Very low | 193 Ų | 193 | 149.7 Ų | 149.7 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | cis | -144.7 | 134.5 | 46.9 | -62.9 | -175.3 | 95.2 | 0 | 0 | 113 | ||||
| 177 | D | 42.1 | Very low | 42.4 | Very low | 164 Ų | 164 | 148.6 Ų | 148.6 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | trans | -64.8 | 122.9 | 157.6 | 174.5 | 52.6 | 0 | 0 | 0 | 109.5 | ||||
| 178 | S | 38.4 | Very low | 41.9 | Very low | 106 Ų | 106 | 149.6 Ų | 149.6 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | 179.8 | 102.6 | 159.7 | 159.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 179 | G | 34.7 | Very low | 41.1 | Very low | 58 Ų | 58 | 151.6 Ų | 151.6 | 60% | 0.598 | 79% | 0.79 | S | S | * | * | 69.7 | 119.2 | 120.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 180 | V | 36.6 | Very low | 41.1 | Very low | 117 Ų | 117 | 153.7 Ų | 153.7 | 71% | 0.709 | 79% | 0.788 | S | S | * | * | trans | 80.2 | 104.1 | 132.1 | -168.5 | 0 | 0 | 0 | 0 | 117.5 | M182 | V180-M182 PolarHBondContact O-N 3.36Š| ||
| 181 | R | 51.8 | Low | 41.3 | Very low | 237 Ų | 237 | 152.5 Ų | 152.5 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | 11.3 | 96.9 | 129.5 | -64.9 | 174.6 | 163.8 | -175.4 | -4.1 | 115 | |||||
| 182 | M | 41.4 | Very low | 41.4 | Very low | 162 Ų | 162 | 153.1 Ų | 153.1 | 80% | 0.798 | 80% | 0.801 | S | S | * | * | trans | -133.7 | 103.4 | 155.3 | -76.7 | -59.2 | 170.1 | 0 | 0 | 111.1 | V180 R184 | V180-M182 PolarHBondContact O-N 3.36Å; M182-R184 PolarHBondContact O-N 3.38Å | ||
| 183 | T | 44.3 | Very low | 41.8 | Very low | 117 Ų | 117 | 155 Ų | 155 | 72% | 0.718 | 80% | 0.802 | S | S | * | * | trans | -7.6 | 113.1 | 151.8 | 49.5 | 0 | 0 | 0 | 0 | 115.5 | R185 | T183-R185 PolarHBondContact O-N 3.28Š| ||
| 184 | R | 45.6 | Very low | 42.2 | Very low | 257 Ų | 257 | 155.7 Ų | 155.7 | 97% | 0.97 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -68.3 | 77 | 163.7 | -168.6 | -177.4 | -173.5 | -168.3 | 3.5 | 110.1 | M182 | M182-R184 PolarHBondContact O-N 3.38Š|
| 185 | R | 45.5 | Very low | 42.6 | Very low | 231 Ų | 231 | 155.7 Ų | 155.7 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | trans | -146.2 | 81 | 164.3 | -75.4 | -168.2 | -178.5 | -176 | 1.7 | 109.4 | T183 | T183-R185 PolarHBondContact O-N 3.28Š| ||
| 186 | A | 43.8 | Very low | 43.1 | Very low | 99 Ų | 99 | 156.2 Ų | 156.2 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -179.3 | 85.9 | 152.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 187 | L | 36 | Very low | 43.7 | Very low | 169 Ų | 169 | 155.5 Ų | 155.5 | 89% | 0.885 | 81% | 0.808 | S | S | * | * | trans | -160 | 92.6 | 136.8 | -126.1 | -179.9 | 0 | 0 | 0 | 107.3 | ||||
| 188 | H | 38.1 | Very low | 44.3 | Very low | 183 Ų | 183 | 158.7 Ų | 158.7 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | trans | -77.7 | 159.7 | 158.9 | -106.1 | 79.6 | 0 | 0 | 0 | 108.6 | ||||
| 189 | E | 45.2 | Very low | 44.7 | Very low | 140 Ų | 140 | 164.9 Ų | 164.9 | 65% | 0.654 | 82% | 0.815 | S | S | * | * | trans | 87.2 | 81.6 | 159.1 | -156.4 | -149.3 | 102.1 | 0 | 0 | 115.1 | ||||
| 190 | K | 38.1 | Very low | 45.2 | Very low | 179 Ų | 179 | 170.2 Ų | 170.2 | 78% | 0.778 | 83% | 0.829 | S | S | * | * | -141 | 112.4 | 116.5 | -58.3 | -56.4 | 153.5 | -154.4 | 0 | 107.3 | L192 | K190-L192 PolarHBondContact O-N 3.03Š| |||
| 191 | G | 50.5 | Low | 46.4 | Very low | 74 Ų | 74 | 171.9 Ų | 171.9 | 76% | 0.763 | 83% | 0.833 | S | S | * | * | trans | -69.7 | 109.2 | -179 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 192 | L | 44.1 | Very low | 46.4 | Very low | 156 Ų | 156 | 166.6 Ų | 166.6 | 82% | 0.817 | 83% | 0.829 | S | S | * | * | trans | -133.7 | 101.5 | 150.2 | -73.6 | 174.5 | 0 | 0 | 0 | 106.6 | K190 T194 | K190-L192 PolarHBondContact O-N 3.03Å; L192-T194 PolarHBondContact O-N 2.67Å | ||
| 193 | K | 49.5 | Very low | 46.9 | Very low | 216 Ų | 216 | 170.3 Ų | 170.3 | 94% | 0.939 | 83% | 0.834 | S | S | * | * | trans | -61 | 97.3 | 174.7 | -66.6 | 167 | 179 | 171.8 | 0 | 107.9 | ||||
| 194 | T | 45.2 | Very low | 47 | Very low | 130 Ų | 130 | 176.8 Ų | 176.8 | 80% | 0.798 | 85% | 0.846 | S | S | * | * | trans | -111.1 | 102.9 | 161.5 | 46.4 | 0 | 0 | 0 | 0 | 106.9 | L192 | L192-T194 PolarHBondContact O-N 2.67Š| ||
| 195 | E | 47 | Very low | 46.9 | Very low | 186 Ų | 186 | 167.8 Ų | 167.8 | 87% | 0.869 | 83% | 0.833 | S | S | * | * | trans | -55.9 | 127.5 | 178.4 | -162.5 | 161.3 | 107.7 | 0 | 0 | 109.6 | L197 | E195-L197 PolarHBondContact O-N 3.13Å; E195-L197 VanDerWaalsContact O-N 3.13Å | ||
| 196 | P | 49.5 | Very low | 47.3 | Very low | 107 Ų | 107 | 165.3 Ų | 165.3 | 70% | 0.695 | 84% | 0.836 | S | S | * | * | trans | -67.7 | 118.4 | 174.7 | 26.4 | -30.7 | 0 | 0 | 0 | 107.6 | R198 | P196-R198 PolarHBondContact O-N 2.93Š| ||
| 197 | L | 50.4 | Low | 47.4 | Very low | 177 Ų | 177 | 171.6 Ų | 171.6 | 93% | 0.927 | 84% | 0.838 | S | S | * | * | trans | -53.8 | 83 | 176.7 | -165.5 | 72.2 | 0 | 0 | 0 | 110.6 | E195 R199 | E195-L197 PolarHBondContact O-N 3.13Å; E195-L197 VanDerWaalsContact O-N 3.13Å; L197-R199 PolarHBondContact O-N 3.4Å | ||
| 198 | R | 53.8 | Low | 48.3 | Very low | 231 Ų | 231 | 169 Ų | 169 | 87% | 0.872 | 83% | 0.83 | S | S | * | * | trans | -74.8 | 96.9 | 170.9 | -74.8 | -168.6 | 127 | 172.3 | -0.3 | 107.2 | P196 L200 | P196-R198 PolarHBondContact O-N 2.93Å; R198-L200 PolarHBondContact O-N 3.37Å | ||
| 199 | R | 48.1 | Very low | 48.6 | Very low | 237 Ų | 237 | 168 Ų | 168 | 89% | 0.894 | 83% | 0.831 | S | S | * | * | trans | -36.2 | 116.8 | 165.4 | -156.6 | 177.4 | -65.9 | -168.1 | -0.9 | 110 | L197 L201 | L197-R199 PolarHBondContact O-N 3.4Å; R199-L201 PolarHBondContact O-N 3.4Å | ||
| 200 | L | 45.8 | Very low | 48.3 | Very low | 170 Ų | 170 | 165.9 Ų | 165.9 | 89% | 0.89 | 84% | 0.837 | S | S | * | * | trans | -50.4 | 116.7 | -179.2 | -66.7 | 154.2 | 0 | 0 | 0 | 111.5 | R198 | R198-L200 PolarHBondContact O-N 3.37Š| ||
| 201 | L | 60.5 | Low | 48.7 | Very low | 151 Ų | 151 | 167.9 Ų | 167.9 | 79% | 0.791 | 84% | 0.84 | S | S | * | * | trans | -96.3 | 130.3 | 155.8 | -72.1 | 169.9 | 0 | 0 | 0 | 107.4 | R199 R203 | R199-L201 PolarHBondContact O-N 3.4Å; L201-R203 PolarHBondContact O-N 3.17Å | ||
| 202 | P | 52.3 | Low | 48.5 | Very low | 126 Ų | 126 | 170.2 Ų | 170.2 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | trans | -65.4 | 103.1 | 169.1 | -16 | 29.5 | 0 | 0 | 0 | 108.9 | R204 | P202-R204 PolarHBondContact O-N 3.06Š| ||
| 203 | R | 51.3 | Low | 48.4 | Very low | 241 Ų | 241 | 166.8 Ų | 166.8 | 91% | 0.909 | 83% | 0.831 | S | S | * | * | trans | -68.8 | 102.7 | 170.2 | -65 | -176.1 | 74.9 | 137.3 | 1 | 107.5 | L201 G205 | L201-R203 PolarHBondContact O-N 3.17Å; R203-G205 PolarHBondContact O-N 2.93Å | ||
| 204 | R | 46.1 | Very low | 48.2 | Very low | 252 Ų | 252 | 161.8 Ų | 161.8 | 95% | 0.951 | 82% | 0.823 | S | S | * | * | trans | -59.9 | 101.1 | 159.9 | -95.1 | -179.7 | 157 | -178 | -5.8 | 107.7 | P202 L206 | P202-R204 PolarHBondContact O-N 3.06Å; R204-L206 PolarHBondContact O-N 2.88Å | ||
| 205 | G | 45.2 | Very low | 47.8 | Very low | 68 Ų | 68 | 162.4 Ų | 162.4 | 70% | 0.701 | 83% | 0.827 | S | S | * | * | trans | -71.8 | 119 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | R203 R207 | R203-G205 PolarHBondContact O-N 2.93Å; G205-R207 PolarHBondContact O-N 3.46Å | ||
| 206 | L | 52.7 | Low | 47.8 | Very low | 179 Ų | 179 | 157.8 Ų | 157.8 | 94% | 0.937 | 82% | 0.82 | S | S | * | * | trans | -63.7 | 113.4 | 151.9 | -86.7 | 149.8 | 0 | 0 | 0 | 107.5 | R204 | R204-L206 PolarHBondContact O-N 2.88Š| ||
| 207 | R | 46.7 | Very low | 47.6 | Very low | 231 Ų | 231 | 159.3 Ų | 159.3 | 87% | 0.872 | 83% | 0.827 | S | S | * | * | trans | -134.5 | 129.1 | 158.9 | -73.1 | -171.7 | 72.5 | -108.3 | 3.3 | 110.1 | G205 | G205-R207 PolarHBondContact O-N 3.46Š| ||
| 208 | T | 54.6 | Low | 47.4 | Very low | 116 Ų | 116 | 156.8 Ų | 156.8 | 71% | 0.712 | 82% | 0.821 | S | S | * | * | trans | -70.2 | 150.8 | 179.9 | 50.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 209 | N | 44 | Very low | 46.6 | Very low | 161 Ų | 161 | 152.8 Ų | 152.8 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | trans | 51.3 | 117.5 | 150.5 | -65.7 | -34.2 | 0 | 0 | 0 | 119.2 | ||||
| 210 | A | 39.9 | Very low | 46.3 | Very low | 96 Ų | 96 | 148.3 Ų | 148.3 | 79% | 0.793 | 82% | 0.817 | S | S | * | * | 166.5 | 129.5 | 110.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 211 | R | 46 | Very low | 46.1 | Very low | 221 Ų | 221 | 150.8 Ų | 150.8 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | trans | -60 | 146.1 | 169.1 | -169.2 | 177.7 | -179.7 | -137.8 | 3.1 | 110.1 | ||||
| 212 | P | 47.1 | Very low | 45.3 | Very low | 122 Ų | 122 | 147.9 Ų | 147.9 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | -131.8 | 152.9 | 124.2 | 33.8 | -22.8 | 0 | 0 | 0 | 113.5 | |||||
| 213 | S | 41.7 | Very low | 45.3 | Very low | 84 Ų | 84 | 148 Ų | 148 | 59% | 0.587 | 81% | 0.812 | S | S | * | * | trans | -64.8 | 150.1 | -175.6 | -39.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 214 | S | 44.2 | Very low | 44.8 | Very low | 111 Ų | 111 | 140.5 Ų | 140.5 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | trans | 64 | 104.4 | 139 | -162.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 215 | T | 38 | Very low | 44.3 | Very low | 144 Ų | 144 | 132.2 Ų | 132.2 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | -146.5 | 121.7 | 128.2 | -73.9 | 0 | 0 | 0 | 0 | 108 | |||||
| 216 | A | 46.3 | Very low | 44.5 | Very low | 88 Ų | 88 | 132.7 Ų | 132.7 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | -78.4 | 142.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 217 | V | 44.2 | Very low | 44.1 | Very low | 139 Ų | 139 | 130 Ų | 130 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | trans | -142.9 | 134.3 | 148.6 | -88.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 218 | P | 46.7 | Very low | 44.2 | Very low | 124 Ų | 124 | 129 Ų | 129 | 81% | 0.805 | 81% | 0.807 | S | S | * | * | trans | -81.7 | 124.5 | -161 | 30.7 | -34.3 | 0 | 0 | 0 | 113 | ||||
| 219 | D | 38.2 | Very low | 44.1 | Very low | 148 Ų | 148 | 128 Ų | 128 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | -81.1 | 116.9 | 163.3 | -168.1 | 3.9 | 0 | 0 | 0 | 108.5 | R221 | D219-R221 PolarHBondContact O-N 3.36Å; D219-R221 VanDerWaalsContact O-N 3.12Å | ||
| 220 | T | 42.2 | Very low | 44.7 | Very low | 143 Ų | 143 | 126.4 Ų | 126.4 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | trans | -82.2 | 86.6 | 176.9 | -2.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 221 | R | 40.7 | Very low | 45.4 | Very low | 222 Ų | 222 | 133.5 Ų | 133.5 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | trans | -113.2 | 104.2 | 167 | -167.7 | 171.2 | -177.1 | 177.3 | 1.1 | 110.6 | D219 | D219-R221 PolarHBondContact O-N 3.36Å; D219-R221 VanDerWaalsContact O-N 3.12Å | ||
| 222 | A | 42.6 | Very low | 45.9 | Very low | 89 Ų | 89 | 127.3 Ų | 127.3 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | trans | -72.6 | 149.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 223 | P | 53.2 | Low | 46.4 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | trans | -99.8 | 160 | -172.9 | 38.1 | -32.1 | 0 | 0 | 0 | 112.8 | ||||
| 224 | G | 40.2 | Very low | 47 | Very low | 85 Ų | 85 | 134.9 Ų | 134.9 | 88% | 0.876 | 83% | 0.826 | S | S | * | * | trans | 111.5 | 126.2 | 150.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 225 | G | 37.1 | Very low | 47.7 | Very low | 77 Ų | 77 | 136.3 Ų | 136.3 | 79% | 0.794 | 83% | 0.831 | S | S | * | * | trans | 146.7 | 75.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 226 | G | 48.5 | Very low | 48.8 | Very low | 78 Ų | 78 | 136.4 Ų | 136.4 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | -62.8 | 145.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 227 | S | 43.6 | Very low | 49.4 | Very low | 123 Ų | 123 | 138 Ų | 138 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | trans | -151.8 | 100.4 | 159.2 | -81.5 | 0 | 0 | 0 | 0 | 109.2 | A229 | S227-A229 PolarHBondContact O-N 2.97Š| ||
| 228 | K | 49.5 | Very low | 49.8 | Very low | 211 Ų | 211 | 139 Ų | 139 | 92% | 0.917 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 120 | 163.2 | -84.9 | -179.8 | 166.6 | -169.1 | 0 | 108 | ||
| 229 | A | 52.3 | Low | 50.1 | Low | 93 Ų | 93 | 136.8 Ų | 136.8 | 77% | 0.769 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 124 | 162 | 0 | 0 | 0 | 0 | 0 | 109.1 | S227 | S227-A229 PolarHBondContact O-N 2.97Š|
| 230 | P | 57 | Low | 50.9 | Low | 128 Ų | 128 | 138.8 Ų | 138.8 | 83% | 0.831 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 124.9 | 172.7 | 28.4 | -30.3 | 0 | 0 | 0 | 110.7 | ||
| 231 | R | 53.6 | Low | 51.4 | Low | 246 Ų | 246 | 135.7 Ų | 135.7 | 93% | 0.928 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 132.4 | 168 | -87.5 | 178.5 | 162.8 | -138.2 | -1.5 | 110.2 | ||
| 232 | A | 56.7 | Low | 51.7 | Low | 90 Ų | 90 | 140.6 Ų | 140.6 | 74% | 0.744 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 142.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 233 | P | 59 | Low | 52.1 | Low | 126 Ų | 126 | 143.2 Ų | 143.2 | 82% | 0.818 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 138.2 | 177.2 | 29.1 | -32 | 0 | 0 | 0 | 112.5 | ||
| 234 | R | 52.3 | Low | 52.1 | Low | 240 Ų | 240 | 144 Ų | 144 | 91% | 0.906 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -71 | 123.9 | 174.9 | -67.1 | 168.5 | 77.2 | 155 | 2 | 109.8 | ||
| 235 | T | 58.8 | Low | 52.7 | Low | 141 Ų | 141 | 147.3 Ų | 147.3 | 87% | 0.865 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 124.8 | 169.8 | 1 | 0 | 0 | 0 | 0 | 110.2 | ||
| 236 | I | 61.6 | Low | 53.7 | Low | 145 Ų | 145 | 151.4 Ų | 151.4 | 74% | 0.744 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 126.4 | 170.9 | -60 | 177.3 | 0 | 0 | 0 | 107.4 | Q238 | I236-Q238 PolarHBondContact O-N 3.43Š|
| 237 | P | 60.1 | Low | 54 | Low | 123 Ų | 123 | 156 Ų | 156 | 80% | 0.799 | 85% | 0.848 | S | S | * | * | trans | -78.6 | 115.1 | 173.3 | 29.3 | -30.1 | 0 | 0 | 0 | 110.4 | G239 | P237-G239 PolarHBondContact O-N 3.12Š| ||
| 238 | Q | 52.6 | Low | 54.7 | Low | 160 Ų | 160 | 158.2 Ų | 158.2 | 75% | 0.748 | 85% | 0.847 | S | S | * | * | trans | -74.1 | 105.6 | 167.3 | -81 | -88.6 | -19.1 | 0 | 0 | 109.1 | I236 | I236-Q238 PolarHBondContact O-N 3.43Š| ||
| 239 | G | 51.6 | Low | 55.1 | Low | 76 Ų | 76 | 154.4 Ų | 154.4 | 78% | 0.784 | 84% | 0.842 | S | S | * | * | trans | -84.3 | 117.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | P237 | P237-G239 PolarHBondContact O-N 3.12Š| ||
| 240 | K | 55.2 | Low | 55.3 | Low | 191 Ų | 191 | 159.2 Ų | 159.2 | 83% | 0.83 | 85% | 0.848 | S | S | * | * | trans | -117.1 | 107.6 | 163.7 | -94 | 176.9 | 174.1 | 179 | 0 | 108.1 | ||||
| 241 | G | 52.5 | Low | 55.1 | Low | 77 Ų | 77 | 161.8 Ų | 161.8 | 79% | 0.794 | 85% | 0.849 | S | S | * | * | trans | -90 | 129.7 | 155.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 242 | R | 47.5 | Very low | 55.2 | Low | 326 Ų | 326 | 154.1 Ų | 154.1 | 100% | 1.23 | 84% | 0.842 | S | S | * | * | trans | -174.5 | 0 | 131.6 | -110.4 | -178.4 | -180 | -103.9 | 2 | 108.5 |
Retrieved 242 of 242 residues in 99.2 ms
(Link to these results)