| 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 | 43.6 | Very low | 62.5 | Low | 229 Ų | 229 | 138.2 Ų | 138.2 | 100% | 1.128 | 72% | 0.715 | S | S | * | * | 0 | 102.3 | 0 | -68.3 | 166.4 | 72.2 | 0 | 0 | 109.2 | K3 | M1-K3 PolarHBondContact O-N 3.21Š| |||
| 2 | L | 50.5 | Low | 63.3 | Low | 173 Ų | 173 | 133.3 Ų | 133.3 | 91% | 0.906 | 69% | 0.689 | S | S | * | * | trans | -74 | 106.1 | 178.2 | -71.7 | 165.1 | 0 | 0 | 0 | 108.9 | N4 | L2-N4 PolarHBondContact O-N 2.82Š| ||
| 3 | K | 60.8 | Low | 64.6 | Low | 180 Ų | 180 | 137.2 Ų | 137.2 | 78% | 0.783 | 69% | 0.689 | S | S | * | * | trans | -75.6 | 94.6 | 176.5 | -62.8 | 179.2 | -175.1 | 179.5 | 0 | 108.2 | M1 K5 | M1-K3 PolarHBondContact O-N 3.21Å; K3-K5 VanDerWaalsContact C-N 3.26Å; K3-K5 PolarHBondContact O-N 2.98Å | ||
| 4 | N | 61.9 | Low | 65.5 | Low | 148 Ų | 148 | 131 Ų | 131 | 79% | 0.791 | 67% | 0.67 | S | S | * | * | trans | -65.3 | 88.7 | 164.8 | -84.4 | -29.2 | 0 | 0 | 0 | 108.6 | L2 Q6 | L2-N4 PolarHBondContact O-N 2.82Å; N4-Q6 PolarHBondContact O-N 3.12Å | ||
| 5 | K | 70.6 | Confident | 66.5 | Low | 185 Ų | 185 | 126.1 Ų | 126.1 | 80% | 0.804 | 65% | 0.652 | S | S | * | * | trans | -70.1 | 107.6 | 169.7 | -72.3 | 179.6 | 178.8 | 179.9 | 0 | 107.3 | K3 | K3-K5 VanDerWaalsContact C-N 3.26Å; K3-K5 PolarHBondContact O-N 2.98Å | ||
| 6 | Q | 60.2 | Low | 67.6 | Low | 164 Ų | 164 | 123.6 Ų | 123.6 | 77% | 0.766 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 128.2 | 172.9 | -67.8 | -66.5 | -9.6 | 0 | 0 | 108.9 | N4 T8 | N4-Q6 PolarHBondContact O-N 3.12Å; Q6-T8 PolarHBondContact O-N 3.21Å |
| 7 | P | 62.8 | Low | 68.5 | Low | 71 Ų | 71 | 123.3 Ų | 123.3 | 46% | 0.461 | 63% | 0.633 | S | S | . | * | P | Polyproline II helix | trans | -61.3 | 129.1 | 178.7 | 23.7 | -30.5 | 0 | 0 | 0 | 108.6 | I12 | P7-I12 HydrophobicContact CB-CG1 4.05Å; P7-I12 HydrophobicContact CG-CD1 4.13Å; P7-I12 HydrophobicContact CG-CG1 3.95Å |
| 8 | T | 68.9 | Low | 69.4 | Low | 79 Ų | 79 | 123.1 Ų | 123.1 | 49% | 0.485 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 146.2 | 175.8 | 53 | 0 | 0 | 0 | 0 | 109.5 | Q6 V10 N11 I12 | Q6-T8 PolarHBondContact O-N 3.21Å; T8-V10 PolarHBondContact O-N 3.37Å; T8-N11 WeakPolarHBondContact O-CB 2.9Å; T8-N11 PolarHBondContact O-N 2.85Å; T8-N11 PolarHBondContact OG1-ND2 3.25Å; T8-I12 PolarHBondContact O-N 2.78Å |
| 9 | P | 65.6 | Low | 70.1 | Confident | 92 Ų | 92 | 123.3 Ų | 123.3 | 60% | 0.597 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -59.5 | -21.9 | -170.6 | 21.6 | -33.6 | 0 | 0 | 0 | 114.1 | R13 | P9-R13 PolarHBondContact O-N 2.98Å |
| 10 | V | 68.1 | Low | 70.7 | Confident | 104 Ų | 104 | 123.2 Ų | 123.2 | 63% | 0.63 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.7 | -41.7 | 173.3 | -177.9 | 0 | 0 | 0 | 0 | 111.4 | T8 I12 R13 A14 | T8-V10 PolarHBondContact O-N 3.37Å; V10-I12 VanDerWaalsContact C-N 3.33Å; V10-I12 PolarHBondContact O-N 3.07Å; V10-R13 PolarHBondContact O-N 3.2Å; V10-A14 PolarHBondContact O-N 3.49Å |
| 11 | N | 74.3 | Confident | 71.4 | Confident | 95 Ų | 95 | 123.3 Ų | 123.3 | 51% | 0.508 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -68.8 | -32.6 | 178.7 | -71.2 | -16.1 | 0 | 0 | 0 | 111.9 | T8 S15 | T8-N11 WeakPolarHBondContact O-CB 2.9Å; T8-N11 PolarHBondContact O-N 2.85Å; T8-N11 PolarHBondContact OG1-ND2 3.25Å; N11-S15 VanDerWaalsContact O-CB 3.31Å; N11-S15 WeakPolarHBondContact O-CB 3.49Å; N11-S15 PolarHBondContact O-N 2.89Å; N11-S15 PolarHBondContact O-OG 3.07Å |
| 12 | I | 72.3 | Confident | 73.3 | Confident | 79 Ų | 79 | 116.9 Ų | 116.9 | 41% | 0.405 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -67.3 | -41.6 | 175.7 | -58 | 175 | 0 | 0 | 0 | 111.1 | P7 T8 V10 S15 M16 | P7-I12 HydrophobicContact CB-CG1 4.05Å; P7-I12 HydrophobicContact CG-CD1 4.13Å; P7-I12 HydrophobicContact CG-CG1 3.95Å; T8-I12 PolarHBondContact O-N 2.78Å; V10-I12 VanDerWaalsContact C-N 3.33Å; V10-I12 PolarHBondContact O-N 3.07Å; I12-S15 PolarHBondContact O-OG 2.97Å; I12-M16 HydrophobicContact CG2-CG 4.4Å; I12-M16 WeakPolarHBondContact O-CB 3.44Å; I12-M16 WeakPolarHBondContact O-CG 3.26Å; I12-M16 PolarHBondContact O-N 2.78Å |
| 13 | R | 79.6 | Confident | 74.6 | Confident | 185 Ų | 185 | 110.8 Ų | 110.8 | 70% | 0.698 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.9 | -42.5 | 177 | -74.1 | -178.9 | -174.4 | 156 | 2.4 | 111.8 | P9 V10 M16 Q17 | P9-R13 PolarHBondContact O-N 2.98Å; V10-R13 PolarHBondContact O-N 3.2Å; R13-M16 PolarHBondContact O-N 3.36Å; R13-Q17 WeakPolarHBondContact O-CB 3.33Å; R13-Q17 VanDerWaalsContact O-CG 3.32Å; R13-Q17 WeakPolarHBondContact O-CG 3.41Å; R13-Q17 PolarHBondContact O-N 2.96Å |
| 14 | A | 77.4 | Confident | 75.8 | Confident | 50 Ų | 50 | 104.4 Ų | 104.4 | 41% | 0.413 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63 | -45.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V10 M16 Q17 Q18 | V10-A14 PolarHBondContact O-N 3.49Å; A14-M16 PolarHBondContact O-N 3.32Å; A14-Q17 PolarHBondContact O-N 3.04Å; A14-Q18 VanDerWaalsContact O-CB 3.31Å; A14-Q18 WeakPolarHBondContact O-CB 3.45Å; A14-Q18 PolarHBondContact O-N 3.22Å |
| 15 | S | 81.4 | Confident | 77.1 | Confident | 57 Ų | 57 | 99 Ų | 99 | 40% | 0.399 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.4 | -39.1 | 177.2 | 69.7 | 0 | 0 | 0 | 0 | 112.1 | N11 I12 Q18 Q19 | N11-S15 VanDerWaalsContact O-CB 3.31Å; N11-S15 WeakPolarHBondContact O-CB 3.49Å; N11-S15 PolarHBondContact O-N 2.89Å; N11-S15 PolarHBondContact O-OG 3.07Å; I12-S15 PolarHBondContact O-OG 2.97Å; S15-Q18 PolarHBondContact O-N 3.48Å; S15-Q19 VanDerWaalsContact O-CB 3.23Å; S15-Q19 WeakPolarHBondContact O-CB 3.29Å; S15-Q19 PolarHBondContact O-N 3.44Å |
| 16 | M | 83.2 | Confident | 78.2 | Confident | 87 Ų | 87 | 98.9 Ų | 98.9 | 43% | 0.429 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.8 | -44.3 | 175.1 | -80.5 | -66.8 | -62.7 | 0 | 0 | 112 | I12 R13 A14 Q19 Q20 | I12-M16 HydrophobicContact CG2-CG 4.4Å; I12-M16 WeakPolarHBondContact O-CB 3.44Å; I12-M16 WeakPolarHBondContact O-CG 3.26Å; I12-M16 PolarHBondContact O-N 2.78Å; R13-M16 PolarHBondContact O-N 3.36Å; A14-M16 PolarHBondContact O-N 3.32Å; M16-Q19 PolarHBondContact O-N 3.1Å; M16-Q20 WeakPolarHBondContact O-CB 3.3Å; M16-Q20 VanDerWaalsContact O-CG 3.23Å; M16-Q20 WeakPolarHBondContact O-CG 3.41Å; M16-Q20 PolarHBondContact O-N 3.29Å |
| 17 | Q | 84 | Confident | 79.8 | Confident | 118 Ų | 118 | 96 Ų | 96 | 55% | 0.551 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.1 | -43.3 | 176.3 | -75.7 | 178 | -9.6 | 0 | 0 | 111.5 | R13 A14 Q19 Q20 Q21 | R13-Q17 WeakPolarHBondContact O-CB 3.33Å; R13-Q17 VanDerWaalsContact O-CG 3.32Å; R13-Q17 WeakPolarHBondContact O-CG 3.41Å; R13-Q17 PolarHBondContact O-N 2.96Å; A14-Q17 PolarHBondContact O-N 3.04Å; Q17-Q19 PolarHBondContact O-N 2.88Å; Q17-Q20 PolarHBondContact O-N 3.34Å; Q17-Q21 WeakPolarHBondContact O-CB 3.33Å; Q17-Q21 VanDerWaalsContact O-CG 3.26Å; Q17-Q21 WeakPolarHBondContact O-CG 3.21Å; Q17-Q21 PolarHBondContact O-N 3.02Å |
| 18 | Q | 83.9 | Confident | 81.1 | Confident | 119 Ų | 119 | 100.3 Ų | 100.3 | 56% | 0.556 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.8 | -43.1 | 176.7 | -171.3 | 179.3 | 13.4 | 0 | 0 | 111.4 | A14 S15 Q20 Q21 L22 | A14-Q18 VanDerWaalsContact O-CB 3.31Å; A14-Q18 WeakPolarHBondContact O-CB 3.45Å; A14-Q18 PolarHBondContact O-N 3.22Å; S15-Q18 PolarHBondContact O-N 3.48Å; Q18-Q20 VanDerWaalsContact C-N 3.35Å; Q18-Q20 PolarHBondContact O-N 2.8Å; Q18-Q21 PolarHBondContact O-N 3.17Å; Q18-L22 HydrophobicContact CG-CD1 4.24Å; Q18-L22 WeakPolarHBondContact O-CB 3.29Å; Q18-L22 VanDerWaalsContact O-CG 3.28Å; Q18-L22 WeakPolarHBondContact O-CG 3.38Å; Q18-L22 PolarHBondContact O-N 3.06Å |
| 19 | Q | 82.4 | Confident | 82.3 | Confident | 127 Ų | 127 | 104.9 Ų | 104.9 | 59% | 0.593 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.2 | -39.2 | 177.2 | -166.1 | 173.4 | 17.5 | 0 | 0 | 111.7 | S15 M16 Q17 L22 A23 | S15-Q19 VanDerWaalsContact O-CB 3.23Å; S15-Q19 WeakPolarHBondContact O-CB 3.29Å; S15-Q19 PolarHBondContact O-N 3.44Å; M16-Q19 PolarHBondContact O-N 3.1Å; Q17-Q19 PolarHBondContact O-N 2.88Å; Q19-L22 PolarHBondContact O-N 3.26Å; Q19-A23 VanDerWaalsContact O-CB 3.25Å; Q19-A23 WeakPolarHBondContact O-CB 3.36Å; Q19-A23 PolarHBondContact O-N 3.26Å |
| 20 | Q | 83.2 | Confident | 83.7 | Confident | 122 Ų | 122 | 104.8 Ų | 104.8 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64 | -42.1 | 172.8 | -74.8 | 173.4 | 11.8 | 0 | 0 | 112.1 | M16 Q17 Q18 A23 S24 | M16-Q20 WeakPolarHBondContact O-CB 3.3Å; M16-Q20 VanDerWaalsContact O-CG 3.23Å; M16-Q20 WeakPolarHBondContact O-CG 3.41Å; M16-Q20 PolarHBondContact O-N 3.29Å; Q17-Q20 PolarHBondContact O-N 3.34Å; Q18-Q20 VanDerWaalsContact C-N 3.35Å; Q18-Q20 PolarHBondContact O-N 2.8Å; Q20-A23 PolarHBondContact O-N 3.29Å; Q20-S24 WeakPolarHBondContact O-CB 3.45Å; Q20-S24 PolarHBondContact O-N 2.86Å |
| 21 | Q | 84.6 | Confident | 84.8 | Confident | 125 Ų | 125 | 102.6 Ų | 102.6 | 58% | 0.584 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.7 | -44.4 | 177.1 | -72.9 | 172 | 10.8 | 0 | 0 | 111.4 | Q17 Q18 S24 A25 | Q17-Q21 WeakPolarHBondContact O-CB 3.33Å; Q17-Q21 VanDerWaalsContact O-CG 3.26Å; Q17-Q21 WeakPolarHBondContact O-CG 3.21Å; Q17-Q21 PolarHBondContact O-N 3.02Å; Q18-Q21 PolarHBondContact O-N 3.17Å; Q21-S24 PolarHBondContact O-N 3.49Å; Q21-S24 PolarHBondContact O-OG 3.37Å; Q21-A25 WeakPolarHBondContact O-CB 3.33Å; Q21-A25 PolarHBondContact O-N 3.17Å |
| 22 | L | 83.6 | Confident | 85.5 | Confident | 94 Ų | 94 | 103.4 Ų | 103.4 | 49% | 0.492 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 175.5 | -70 | 172.7 | 0 | 0 | 0 | 111.9 | Q18 Q19 A25 R26 | Q18-L22 HydrophobicContact CG-CD1 4.24Å; Q18-L22 WeakPolarHBondContact O-CB 3.29Å; Q18-L22 VanDerWaalsContact O-CG 3.28Å; Q18-L22 WeakPolarHBondContact O-CG 3.38Å; Q18-L22 PolarHBondContact O-N 3.06Å; Q19-L22 PolarHBondContact O-N 3.26Å; L22-A25 PolarHBondContact O-N 3.29Å; L22-R26 WeakPolarHBondContact O-CG 3.42Å; L22-R26 PolarHBondContact O-N 3.24Å |
| 23 | A | 77.8 | Confident | 86.5 | Confident | 45 Ų | 45 | 105.7 Ų | 105.7 | 37% | 0.372 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q19 Q20 A25 R26 N27 | Q19-A23 VanDerWaalsContact O-CB 3.25Å; Q19-A23 WeakPolarHBondContact O-CB 3.36Å; Q19-A23 PolarHBondContact O-N 3.26Å; Q20-A23 PolarHBondContact O-N 3.29Å; A23-A25 VanDerWaalsContact C-N 3.34Å; A23-A25 PolarHBondContact O-N 3.23Å; A23-R26 PolarHBondContact O-N 3.49Å; A23-N27 WeakPolarHBondContact O-CB 3.14Å; A23-N27 PolarHBondContact O-N 2.84Å; A23-N27 PolarHBondContact O-OD1 2.91Å |
| 24 | S | 86.4 | Confident | 87.1 | Confident | 47 Ų | 47 | 100.9 Ų | 100.9 | 33% | 0.329 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.1 | -38 | 176.2 | 82.9 | 0 | 0 | 0 | 0 | 112.4 | Q20 Q21 N27 R28 | Q20-S24 WeakPolarHBondContact O-CB 3.45Å; Q20-S24 PolarHBondContact O-N 2.86Å; Q21-S24 PolarHBondContact O-N 3.49Å; Q21-S24 PolarHBondContact O-OG 3.37Å; S24-N27 PolarHBondContact O-N 2.92Å; S24-R28 WeakPolarHBondContact O-CB 3.15Å; S24-R28 WeakPolarHBondContact O-CG 3.22Å; S24-R28 PolarHBondContact O-N 2.87Å; S24-R28 PolarHBondContact O-NE 3.48Å; S24-R28 PolarHBondContact OG-NH2 3.44Å |
| 25 | A | 89.6 | Confident | 87.5 | Confident | 35 Ų | 35 | 104.1 Ų | 104.1 | 29% | 0.289 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.2 | -42.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q21 L22 A23 R28 R29 | Q21-A25 WeakPolarHBondContact O-CB 3.33Å; Q21-A25 PolarHBondContact O-N 3.17Å; L22-A25 PolarHBondContact O-N 3.29Å; A23-A25 VanDerWaalsContact C-N 3.34Å; A23-A25 PolarHBondContact O-N 3.23Å; A25-R28 PolarHBondContact O-N 3.43Å; A25-R29 PolarHBondContact O-N 2.88Å |
| 26 | R | 92.2 | Very high | 88 | Confident | 182 Ų | 182 | 106.7 Ų | 106.7 | 69% | 0.687 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.4 | -43 | 173.8 | -71.7 | 176.4 | -179.1 | 178.1 | 0.2 | 111.8 | L22 A23 R28 R29 L30 | L22-R26 WeakPolarHBondContact O-CG 3.42Å; L22-R26 PolarHBondContact O-N 3.24Å; A23-R26 PolarHBondContact O-N 3.49Å; R26-R28 VanDerWaalsContact C-N 3.33Å; R26-R28 PolarHBondContact O-N 3.25Å; R26-R29 PolarHBondContact O-N 2.89Å; R26-L30 WeakPolarHBondContact O-CB 3.43Å; R26-L30 PolarHBondContact O-N 3.44Å |
| 27 | N | 93.6 | Very high | 88.5 | Confident | 104 Ų | 104 | 109.1 Ų | 109.1 | 56% | 0.556 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.4 | -37.6 | 176.7 | -70.5 | -8.6 | 0 | 0 | 0 | 112 | A23 S24 L30 A31 | A23-N27 WeakPolarHBondContact O-CB 3.14Å; A23-N27 PolarHBondContact O-N 2.84Å; A23-N27 PolarHBondContact O-OD1 2.91Å; S24-N27 PolarHBondContact O-N 2.92Å; N27-L30 PolarHBondContact O-N 2.87Å; N27-A31 WeakPolarHBondContact O-CB 3.45Å; N27-A31 PolarHBondContact O-N 3.36Å |
| 28 | R | 92 | Very high | 88.6 | Confident | 161 Ų | 161 | 108.5 Ų | 108.5 | 61% | 0.608 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.3 | -44.4 | 172.3 | -78.4 | -178.4 | -73.5 | -163.7 | 0.5 | 111.9 | S24 A25 R26 A31 Q32 | S24-R28 WeakPolarHBondContact O-CB 3.15Å; S24-R28 WeakPolarHBondContact O-CG 3.22Å; S24-R28 PolarHBondContact O-N 2.87Å; S24-R28 PolarHBondContact O-NE 3.48Å; S24-R28 PolarHBondContact OG-NH2 3.44Å; A25-R28 PolarHBondContact O-N 3.43Å; R26-R28 VanDerWaalsContact C-N 3.33Å; R26-R28 PolarHBondContact O-N 3.25Å; R28-A31 PolarHBondContact O-N 3.46Å; R28-Q32 WeakPolarHBondContact O-CG 3.23Å; R28-Q32 PolarHBondContact O-N 3.03Å |
| 29 | R | 93.5 | Very high | 88.7 | Confident | 174 Ų | 174 | 106.7 Ų | 106.7 | 66% | 0.657 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.3 | -42.6 | 174.6 | -72.3 | -178.9 | -179.6 | 175.5 | -0 | 112.2 | A25 R26 A31 Q32 Q33 | A25-R29 PolarHBondContact O-N 2.88Å; R26-R29 PolarHBondContact O-N 2.89Å; R29-A31 VanDerWaalsContact C-N 3.33Å; R29-A31 PolarHBondContact O-N 3.35Å; R29-Q32 WeakPolarHBondContact O-CB 3.33Å; R29-Q32 PolarHBondContact O-N 3.49Å; R29-Q33 WeakPolarHBondContact O-CG 3.16Å; R29-Q33 PolarHBondContact O-N 3.06Å |
| 30 | L | 93.9 | Very high | 89 | Confident | 90 Ų | 90 | 102.8 Ų | 102.8 | 47% | 0.471 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 176.1 | 178.8 | 62.4 | 0 | 0 | 0 | 111.4 | R26 N27 Q33 M34 | R26-L30 WeakPolarHBondContact O-CB 3.43Å; R26-L30 PolarHBondContact O-N 3.44Å; N27-L30 PolarHBondContact O-N 2.87Å; L30-Q33 PolarHBondContact O-N 3.3Å; L30-M34 HydrophobicContact CD1-CG 4.29Å; L30-M34 HydrophobicContact CG-CG 4.49Å; L30-M34 WeakPolarHBondContact O-CB 3.28Å; L30-M34 VanDerWaalsContact O-CG 3.27Å; L30-M34 WeakPolarHBondContact O-CG 3.42Å; L30-M34 PolarHBondContact O-N 3.36Å |
| 31 | A | 91.4 | Very high | 89.1 | Confident | 59 Ų | 59 | 100.4 Ų | 100.4 | 49% | 0.488 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61 | -44.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | N27 R28 R29 M34 E35 | N27-A31 WeakPolarHBondContact O-CB 3.45Å; N27-A31 PolarHBondContact O-N 3.36Å; R28-A31 PolarHBondContact O-N 3.46Å; R29-A31 VanDerWaalsContact C-N 3.33Å; R29-A31 PolarHBondContact O-N 3.35Å; A31-M34 PolarHBondContact O-N 2.97Å; A31-E35 WeakPolarHBondContact O-CB 3.31Å; A31-E35 PolarHBondContact O-N 2.93Å |
| 32 | Q | 90.3 | Very high | 88.9 | Confident | 112 Ų | 112 | 97.2 Ų | 97.2 | 52% | 0.523 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 174.5 | -70.4 | 171.7 | -19.4 | 0 | 0 | 112 | R28 R29 M34 E35 N36 | R28-Q32 WeakPolarHBondContact O-CG 3.23Å; R28-Q32 PolarHBondContact O-N 3.03Å; R29-Q32 WeakPolarHBondContact O-CB 3.33Å; R29-Q32 PolarHBondContact O-N 3.49Å; Q32-M34 VanDerWaalsContact C-N 3.32Å; Q32-M34 PolarHBondContact O-N 2.88Å; Q32-E35 PolarHBondContact O-N 3.14Å; Q32-N36 WeakPolarHBondContact O-CB 3.39Å; Q32-N36 VanDerWaalsContact O-CG 3.25Å; Q32-N36 PolarHBondContact O-N 3.26Å; Q32-N36 PolarHBondContact O-ND2 3.02Å |
| 33 | Q | 93 | Very high | 88.7 | Confident | 127 Ų | 127 | 95.1 Ų | 95.1 | 59% | 0.593 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.2 | -42.3 | 175 | -74.9 | 177.6 | -15.4 | 0 | 0 | 111.7 | R29 L30 N36 R37 | R29-Q33 WeakPolarHBondContact O-CG 3.16Å; R29-Q33 PolarHBondContact O-N 3.06Å; L30-Q33 PolarHBondContact O-N 3.3Å; Q33-N36 PolarHBondContact O-N 3.47Å; Q33-R37 VanDerWaalsContact O-CG 3.26Å; Q33-R37 WeakPolarHBondContact O-CG 3.31Å; Q33-R37 PolarHBondContact O-N 3.22Å |
| 34 | M | 90.9 | Very high | 88.7 | Confident | 83 Ų | 83 | 97 Ų | 97 | 41% | 0.409 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.2 | -37.5 | 177.7 | -72.8 | -63.1 | -65.9 | 0 | 0 | 112.3 | L30 A31 Q32 R37 V40 | L30-M34 HydrophobicContact CD1-CG 4.29Å; L30-M34 HydrophobicContact CG-CG 4.49Å; L30-M34 WeakPolarHBondContact O-CB 3.28Å; L30-M34 VanDerWaalsContact O-CG 3.27Å; L30-M34 WeakPolarHBondContact O-CG 3.42Å; L30-M34 PolarHBondContact O-N 3.36Å; A31-M34 PolarHBondContact O-N 2.97Å; Q32-M34 VanDerWaalsContact C-N 3.32Å; Q32-M34 PolarHBondContact O-N 2.88Å; M34-R37 PolarHBondContact O-N 3.35Å; M34-V40 VanDerWaalsContact O-CB 3.31Å; M34-V40 WeakPolarHBondContact O-CB 3.47Å; M34-V40 WeakPolarHBondContact O-CG1 3.37Å; M34-V40 WeakPolarHBondContact O-CG2 3.22Å |
| 35 | E | 86.3 | Confident | 88.3 | Confident | 118 Ų | 118 | 101.2 Ų | 101.2 | 55% | 0.551 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.9 | -37.1 | 174.1 | -176.9 | 173.9 | -175.5 | 0 | 0 | 112.3 | A31 Q32 R37 Q41 | A31-E35 WeakPolarHBondContact O-CB 3.31Å; A31-E35 PolarHBondContact O-N 2.93Å; Q32-E35 PolarHBondContact O-N 3.14Å; E35-R37 PolarHBondContact O-N 3.38Å; E35-Q41 WeakPolarHBondContact O-CG 3.28Å |
| 36 | N | 92 | Very high | 87 | Confident | 112 Ų | 112 | 104.5 Ų | 104.5 | 60% | 0.599 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -5.4 | 178.7 | -69.9 | -20.4 | 0 | 0 | 0 | 114.1 | Q32 Q33 | Q32-N36 WeakPolarHBondContact O-CB 3.39Å; Q32-N36 VanDerWaalsContact O-CG 3.25Å; Q32-N36 PolarHBondContact O-N 3.26Å; Q32-N36 PolarHBondContact O-ND2 3.02Å; Q33-N36 PolarHBondContact O-N 3.47Å |
| 37 | R | 93.7 | Very high | 85.6 | Confident | 138 Ų | 138 | 102.8 Ų | 102.8 | 52% | 0.521 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -70.1 | 133.8 | 177.7 | -58.4 | -172 | 82.3 | 159.8 | 4.2 | 110.4 | Q33 M34 E35 S39 V40 Q41 | Q33-R37 VanDerWaalsContact O-CG 3.26Å; Q33-R37 WeakPolarHBondContact O-CG 3.31Å; Q33-R37 PolarHBondContact O-N 3.22Å; M34-R37 PolarHBondContact O-N 3.35Å; E35-R37 PolarHBondContact O-N 3.38Å; R37-S39 VanDerWaalsContact C-N 3.28Å; R37-S39 PolarHBondContact O-N 3.45Å; R37-V40 HydrophobicContact CB-CB 4.31Å; R37-V40 HydrophobicContact CB-CG2 4.09Å; R37-V40 PolarHBondContact O-N 3.31Å; R37-Q41 PolarHBondContact O-N 2.71Å |
| 38 | P | 86.4 | Confident | 84.2 | Confident | 104 Ų | 104 | 104.2 Ų | 104.2 | 68% | 0.675 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.1 | -34.9 | -175.6 | 22.7 | -33.3 | 0 | 0 | 0 | 112.9 | A42 | P38-A42 VanDerWaalsContact O-CB 3.23Å; P38-A42 WeakPolarHBondContact O-CB 3.49Å; P38-A42 PolarHBondContact O-N 2.9Å |
| 39 | S | 86.2 | Confident | 82.9 | Confident | 82 Ų | 82 | 98.2 Ų | 98.2 | 57% | 0.573 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.6 | -37.6 | 175.8 | 54.8 | 0 | 0 | 0 | 0 | 113.1 | R37 A43 | R37-S39 VanDerWaalsContact C-N 3.28Å; R37-S39 PolarHBondContact O-N 3.45Å; S39-A43 WeakPolarHBondContact O-CB 3.3Å; S39-A43 PolarHBondContact O-N 2.83Å |
| 40 | V | 87.9 | Confident | 81.3 | Confident | 44 Ų | 44 | 93.1 Ų | 93.1 | 27% | 0.267 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -72.3 | -44 | 177.3 | 176.7 | 0 | 0 | 0 | 0 | 110.1 | M34 R37 A42 A43 L44 | M34-V40 VanDerWaalsContact O-CB 3.31Å; M34-V40 WeakPolarHBondContact O-CB 3.47Å; M34-V40 WeakPolarHBondContact O-CG1 3.37Å; M34-V40 WeakPolarHBondContact O-CG2 3.22Å; R37-V40 HydrophobicContact CB-CB 4.31Å; R37-V40 HydrophobicContact CB-CG2 4.09Å; R37-V40 PolarHBondContact O-N 3.31Å; V40-A42 PolarHBondContact O-N 3.27Å; V40-A43 PolarHBondContact O-N 3.38Å; V40-L44 HydrophobicContact CG1-CD1 4.01Å; V40-L44 HydrophobicContact CG1-CG 4.39Å; V40-L44 WeakPolarHBondContact O-CB 3.26Å; V40-L44 VanDerWaalsContact O-CG 3.32Å; V40-L44 WeakPolarHBondContact O-CG 3.47Å; V40-L44 PolarHBondContact O-N 3.08Å |
| 41 | Q | 85.8 | Confident | 80 | Confident | 72 Ų | 72 | 96.8 Ų | 96.8 | 34% | 0.336 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 174.1 | -66.4 | -172.5 | -2.1 | 0 | 0 | 112.2 | E35 R37 A43 L44 K45 | E35-Q41 WeakPolarHBondContact O-CG 3.28Å; R37-Q41 PolarHBondContact O-N 2.71Å; Q41-A43 VanDerWaalsContact C-N 3.33Å; Q41-A43 PolarHBondContact O-N 2.98Å; Q41-L44 PolarHBondContact O-N 3.44Å; Q41-K45 WeakPolarHBondContact O-CB 3.35Å; Q41-K45 VanDerWaalsContact O-CG 3.29Å; Q41-K45 WeakPolarHBondContact O-CG 3.49Å; Q41-K45 PolarHBondContact O-N 2.76Å |
| 42 | A | 81.4 | Confident | 78.9 | Confident | 59 Ų | 59 | 101.5 Ų | 101.5 | 49% | 0.488 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | P38 V40 L46 | P38-A42 VanDerWaalsContact O-CB 3.23Å; P38-A42 WeakPolarHBondContact O-CB 3.49Å; P38-A42 PolarHBondContact O-N 2.9Å; V40-A42 PolarHBondContact O-N 3.27Å; A42-L46 VanDerWaalsContact O-CB 3.29Å; A42-L46 WeakPolarHBondContact O-CB 3.45Å; A42-L46 PolarHBondContact O-N 3.08Å |
| 43 | A | 79.3 | Confident | 77.5 | Confident | 50 Ų | 50 | 104.3 Ų | 104.3 | 41% | 0.413 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.7 | -39.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S39 V40 Q41 L46 K47 | S39-A43 WeakPolarHBondContact O-CB 3.3Å; S39-A43 PolarHBondContact O-N 2.83Å; V40-A43 PolarHBondContact O-N 3.38Å; Q41-A43 VanDerWaalsContact C-N 3.33Å; Q41-A43 PolarHBondContact O-N 2.98Å; A43-L46 PolarHBondContact O-N 3.32Å; A43-K47 WeakPolarHBondContact O-CG 3.47Å; A43-K47 PolarHBondContact O-N 2.95Å |
| 44 | L | 76.5 | Confident | 76.2 | Confident | 84 Ų | 84 | 102.7 Ų | 102.7 | 44% | 0.44 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.3 | -42.4 | 177.4 | -70.4 | 174.5 | 0 | 0 | 0 | 112 | V40 Q41 L46 K47 Q48 | V40-L44 HydrophobicContact CG1-CD1 4.01Å; V40-L44 HydrophobicContact CG1-CG 4.39Å; V40-L44 WeakPolarHBondContact O-CB 3.26Å; V40-L44 VanDerWaalsContact O-CG 3.32Å; V40-L44 WeakPolarHBondContact O-CG 3.47Å; V40-L44 PolarHBondContact O-N 3.08Å; Q41-L44 PolarHBondContact O-N 3.44Å; L44-L46 VanDerWaalsContact C-N 3.31Å; L44-L46 PolarHBondContact O-N 2.92Å; L44-K47 PolarHBondContact O-N 3.39Å; L44-Q48 PolarHBondContact O-N 2.83Å; L44-Q48 VanDerWaalsContact O-N 3.12Å |
| 45 | K | 77.7 | Confident | 75 | Confident | 136 Ų | 136 | 100.5 Ų | 100.5 | 59% | 0.591 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.7 | -39.9 | 172.5 | -72.9 | 174.1 | 179.3 | 175 | 0 | 111.3 | Q41 K47 Q48 S49 | Q41-K45 WeakPolarHBondContact O-CB 3.35Å; Q41-K45 VanDerWaalsContact O-CG 3.29Å; Q41-K45 WeakPolarHBondContact O-CG 3.49Å; Q41-K45 PolarHBondContact O-N 2.76Å; K45-K47 VanDerWaalsContact C-N 3.33Å; K45-K47 PolarHBondContact O-N 2.84Å; K45-Q48 PolarHBondContact O-N 3.43Å; K45-S49 PolarHBondContact O-N 2.85Å |
| 46 | L | 63.8 | Low | 74.1 | Confident | 104 Ų | 104 | 105.7 Ų | 105.7 | 55% | 0.545 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.6 | -39.7 | 174.4 | -157.3 | 96.5 | 0 | 0 | 0 | 111.6 | A42 A43 L44 S49 L50 | A42-L46 VanDerWaalsContact O-CB 3.29Å; A42-L46 WeakPolarHBondContact O-CB 3.45Å; A42-L46 PolarHBondContact O-N 3.08Å; A43-L46 PolarHBondContact O-N 3.32Å; L44-L46 VanDerWaalsContact C-N 3.31Å; L44-L46 PolarHBondContact O-N 2.92Å; L46-S49 PolarHBondContact O-N 3.42Å; L46-S49 PolarHBondContact O-OG 3.49Å; L46-L50 HydrophobicContact CD2-CD1 4.32Å; L46-L50 WeakPolarHBondContact O-CB 3.42Å; L46-L50 PolarHBondContact O-N 2.87Å |
| 47 | K | 62.4 | Low | 72.6 | Confident | 145 Ų | 145 | 103 Ų | 103 | 63% | 0.63 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.2 | -37 | 176.3 | -73.7 | -175 | -178.4 | -160.2 | 0 | 113.4 | A43 L44 K45 L50 K51 | A43-K47 WeakPolarHBondContact O-CG 3.47Å; A43-K47 PolarHBondContact O-N 2.95Å; L44-K47 PolarHBondContact O-N 3.39Å; K45-K47 VanDerWaalsContact C-N 3.33Å; K45-K47 PolarHBondContact O-N 2.84Å; K47-L50 PolarHBondContact O-N 3.31Å; K47-K51 PolarHBondContact O-N 2.91Å; K47-K51 VanDerWaalsContact O-N 3.11Å |
| 48 | Q | 63.9 | Low | 71.3 | Confident | 135 Ų | 135 | 101.6 Ų | 101.6 | 63% | 0.631 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.7 | -44.1 | 172.5 | -68.1 | 179.6 | -2.3 | 0 | 0 | 111.1 | L44 K45 L50 K51 Q52 | L44-Q48 PolarHBondContact O-N 2.83Å; L44-Q48 VanDerWaalsContact O-N 3.12Å; K45-Q48 PolarHBondContact O-N 3.43Å; Q48-L50 VanDerWaalsContact C-N 3.32Å; Q48-L50 PolarHBondContact O-N 2.93Å; Q48-K51 PolarHBondContact O-N 3.42Å; Q48-Q52 PolarHBondContact O-N 3.1Å; Q48-Q52 VanDerWaalsContact O-N 3.1Å |
| 49 | S | 64.6 | Low | 70.4 | Confident | 35 Ų | 35 | 102.5 Ų | 102.5 | 25% | 0.245 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -65.6 | -32.4 | 175.8 | 83 | 0 | 0 | 0 | 0 | 112.6 | K45 L46 Q52 R53 | K45-S49 PolarHBondContact O-N 2.85Å; L46-S49 PolarHBondContact O-N 3.42Å; L46-S49 PolarHBondContact O-OG 3.49Å; S49-Q52 PolarHBondContact O-N 2.84Å; S49-R53 WeakPolarHBondContact O-CA 3.39Å; S49-R53 WeakPolarHBondContact O-CB 3.25Å; S49-R53 WeakPolarHBondContact O-CG 3.23Å; S49-R53 PolarHBondContact O-N 2.86Å |
| 50 | L | 60.9 | Low | 69.3 | Low | 66 Ų | 66 | 103 Ų | 103 | 35% | 0.346 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70 | -38.8 | 175.6 | -85.7 | 168.3 | 0 | 0 | 0 | 111.9 | L46 K47 Q48 Q52 R53 L54 | L46-L50 HydrophobicContact CD2-CD1 4.32Å; L46-L50 WeakPolarHBondContact O-CB 3.42Å; L46-L50 PolarHBondContact O-N 2.87Å; K47-L50 PolarHBondContact O-N 3.31Å; Q48-L50 VanDerWaalsContact C-N 3.32Å; Q48-L50 PolarHBondContact O-N 2.93Å; L50-Q52 VanDerWaalsContact C-N 3.31Å; L50-Q52 PolarHBondContact O-N 3.34Å; L50-R53 PolarHBondContact O-N 3.38Å; L50-L54 HydrophobicContact CD2-CD1 4.24Å; L50-L54 HydrophobicContact CD2-CG 4.48Å; L50-L54 WeakPolarHBondContact O-CA 3.42Å; L50-L54 WeakPolarHBondContact O-CB 3.4Å; L50-L54 VanDerWaalsContact O-CG 3.22Å; L50-L54 WeakPolarHBondContact O-CG 3.32Å; L50-L54 PolarHBondContact O-N 2.96Å |
| 51 | K | 66.1 | Low | 68 | Low | 167 Ų | 167 | 104.8 Ų | 104.8 | 73% | 0.726 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.5 | -35.1 | 173.8 | -170.3 | 176.2 | -179.7 | -178.2 | 0 | 111.9 | K47 Q48 G55 | K47-K51 PolarHBondContact O-N 2.91Å; K47-K51 VanDerWaalsContact O-N 3.11Å; Q48-K51 PolarHBondContact O-N 3.42Å; K51-G55 VanDerWaalsContact O-CA 3.23Å; K51-G55 WeakPolarHBondContact O-CA 3.49Å; K51-G55 PolarHBondContact O-N 3.45Å |
| 52 | Q | 67.5 | Low | 67 | Low | 159 Ų | 159 | 107.6 Ų | 107.6 | 74% | 0.743 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -73.3 | -43.8 | 172.6 | -71.4 | 172.3 | -17 | 0 | 0 | 112.1 | Q48 S49 L50 G55 | Q48-Q52 PolarHBondContact O-N 3.1Å; Q48-Q52 VanDerWaalsContact O-N 3.1Å; S49-Q52 PolarHBondContact O-N 2.84Å; L50-Q52 VanDerWaalsContact C-N 3.31Å; L50-Q52 PolarHBondContact O-N 3.34Å; Q52-G55 PolarHBondContact O-N 3.3Å |
| 53 | R | 60.3 | Low | 66.4 | Low | 170 Ų | 170 | 110.4 Ų | 110.4 | 64% | 0.642 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -71.3 | -30 | 180 | -76.3 | 172.9 | 70.3 | -163.7 | 3.1 | 113.1 | S49 L50 R62 | S49-R53 WeakPolarHBondContact O-CA 3.39Å; S49-R53 WeakPolarHBondContact O-CB 3.25Å; S49-R53 WeakPolarHBondContact O-CG 3.23Å; S49-R53 PolarHBondContact O-N 2.86Å; L50-R53 PolarHBondContact O-N 3.38Å; R53-R62 PolarHBondContact O-NH1 3.39Å; R53-R62 PolarHBondContact O-NH2 3.36Å |
| 54 | L | 66.4 | Low | 65.7 | Low | 93 Ų | 93 | 111.1 Ų | 111.1 | 49% | 0.487 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -91.5 | -22.7 | 174.5 | -63.3 | 173.5 | 0 | 0 | 0 | 111.7 | L50 S57 R62 | L50-L54 HydrophobicContact CD2-CD1 4.24Å; L50-L54 HydrophobicContact CD2-CG 4.48Å; L50-L54 WeakPolarHBondContact O-CA 3.42Å; L50-L54 WeakPolarHBondContact O-CB 3.4Å; L50-L54 VanDerWaalsContact O-CG 3.22Å; L50-L54 WeakPolarHBondContact O-CG 3.32Å; L50-L54 PolarHBondContact O-N 2.96Å; L54-S57 PolarHBondContact O-OG 3.28Å; L54-R62 VanDerWaalsContact C-NH2 3.29Å; L54-R62 PolarHBondContact O-NH2 3.46Å; L54-R62 VanDerWaalsContact O-NH2 3.13Å |
| 55 | G | 66 | Low | 65 | Low | 38 Ų | 38 | 116.3 Ų | 116.3 | 39% | 0.392 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 54.1 | -170.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K51 Q52 S57 | K51-G55 VanDerWaalsContact O-CA 3.23Å; K51-G55 WeakPolarHBondContact O-CA 3.49Å; K51-G55 PolarHBondContact O-N 3.45Å; Q52-G55 PolarHBondContact O-N 3.3Å; G55-S57 PolarHBondContact O-N 3.24Å |
| 56 | K | 66.6 | Low | 63.9 | Low | 226 Ų | 226 | 115.8 Ų | 115.8 | 98% | 0.983 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 7.7 | 159.6 | -61 | 175.2 | -178 | 175.7 | 0 | 111.6 | N58 | K56-N58 PolarHBondContact O-N 2.86Š|
| 57 | S | 60.6 | Low | 63.5 | Low | 56 Ų | 56 | 117 Ų | 117 | 39% | 0.392 | 60% | 0.596 | S | S | . | * | trans | -83.4 | 117.7 | -166.1 | 52.2 | 0 | 0 | 0 | 0 | 111.1 | L54 G55 I59 R62 | L54-S57 PolarHBondContact O-OG 3.28Å; G55-S57 PolarHBondContact O-N 3.24Å; S57-I59 PolarHBondContact O-N 3.32Å; S57-R62 PolarHBondContact OG-NE 3.39Å; S57-R62 PolarHBondContact OG-NH2 2.93Å; S57-R62 VanDerWaalsContact OG-NH2 3.15Å | ||
| 58 | N | 67.3 | Low | 62.8 | Low | 108 Ų | 108 | 112.9 Ų | 112.9 | 58% | 0.578 | 59% | 0.594 | S | S | * | * | trans | -41.8 | 127.2 | 179.9 | -124 | -20.8 | 0 | 0 | 0 | 112.5 | K56 Q60 A61 | K56-N58 PolarHBondContact O-N 2.86Å; N58-Q60 PolarHBondContact O-N 3.05Å; N58-A61 PolarHBondContact O-N 2.87Å | ||
| 59 | I | 66.6 | Low | 62.3 | Low | 123 Ų | 123 | 111 Ų | 111 | 63% | 0.631 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -49.4 | -29.6 | 176.9 | -65.9 | 169.8 | 0 | 0 | 0 | 111.1 | S57 A61 R62 L63 | S57-I59 PolarHBondContact O-N 3.32Å; I59-A61 PolarHBondContact O-N 2.89Å; I59-R62 PolarHBondContact O-N 3.34Å; I59-R62 VanDerWaalsContact O-N 3.13Å; I59-L63 HydrophobicContact CG2-CD1 3.53Å; I59-L63 HydrophobicContact CG2-CG 3.91Å; I59-L63 WeakPolarHBondContact O-CG 3.2Å; I59-L63 PolarHBondContact O-N 3.49Å |
| 60 | Q | 64.1 | Low | 61.7 | Low | 93 Ų | 93 | 117.5 Ų | 117.5 | 44% | 0.435 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -59.6 | -38.4 | 176.1 | -66.1 | 168.5 | -21.1 | 0 | 0 | 114.4 | N58 R62 I67 | N58-Q60 PolarHBondContact O-N 3.05Å; Q60-R62 PolarHBondContact O-N 3.46Å; Q60-I67 HydrophobicContact CB-CD1 3.97Å; Q60-I67 VanDerWaalsContact CD-CD1 3.48Å; Q60-I67 HydrophobicContact CG-CD1 4.16Å |
| 61 | A | 59.7 | Low | 61 | Low | 82 Ų | 82 | 119 Ų | 119 | 68% | 0.678 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -69.7 | -24.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N58 I59 | N58-A61 PolarHBondContact O-N 2.87Å; I59-A61 PolarHBondContact O-N 2.89Å |
| 62 | R | 64.4 | Low | 60.3 | Low | 130 Ų | 130 | 122.7 Ų | 122.7 | 49% | 0.491 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -90.3 | -29.2 | -178.9 | -65.2 | 169.4 | 173.6 | -111 | -7.4 | 112.6 | R53 L54 S57 I59 Q60 G64 | R53-R62 PolarHBondContact O-NH1 3.39Å; R53-R62 PolarHBondContact O-NH2 3.36Å; L54-R62 VanDerWaalsContact C-NH2 3.29Å; L54-R62 PolarHBondContact O-NH2 3.46Å; L54-R62 VanDerWaalsContact O-NH2 3.13Å; S57-R62 PolarHBondContact OG-NE 3.39Å; S57-R62 PolarHBondContact OG-NH2 2.93Å; S57-R62 VanDerWaalsContact OG-NH2 3.15Å; I59-R62 PolarHBondContact O-N 3.34Å; I59-R62 VanDerWaalsContact O-N 3.13Å; Q60-R62 PolarHBondContact O-N 3.46Å; R62-G64 PolarHBondContact O-N 2.92Å |
| 63 | L | 70.3 | Confident | 59.5 | Low | 119 Ų | 119 | 118.7 Ų | 118.7 | 62% | 0.623 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | 8.5 | 176.6 | -67.9 | 179.1 | 0 | 0 | 0 | 113.2 | I59 R65 | I59-L63 HydrophobicContact CG2-CD1 3.53Å; I59-L63 HydrophobicContact CG2-CG 3.91Å; I59-L63 WeakPolarHBondContact O-CG 3.2Å; I59-L63 PolarHBondContact O-N 3.49Å; L63-R65 PolarHBondContact O-N 3.13Å |
| 64 | G | 63.8 | Low | 58.7 | Low | 65 Ų | 65 | 115.1 Ų | 115.1 | 67% | 0.67 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60.2 | 22 | 173 | 0 | 0 | 0 | 0 | 0 | 114.2 | R62 P66 | R62-G64 PolarHBondContact O-N 2.92Å; G64-P66 WeakPolarHBondContact O-CD 3.38Å |
| 65 | R | 62.8 | Low | 58 | Low | 193 Ų | 193 | 119.3 Ų | 119.3 | 73% | 0.728 | 69% | 0.694 | S | S | * | * | trans | -89.9 | 111.5 | 177.1 | -75.4 | 176.1 | 136.3 | -126.2 | -1.4 | 108.1 | L63 I67 | L63-R65 PolarHBondContact O-N 3.13Å; R65-I67 PolarHBondContact O-N 3.1Å; R65-I67 VanDerWaalsContact O-N 3.08Å | ||
| 66 | P | 54.4 | Low | 57.2 | Low | 125 Ų | 125 | 121.6 Ų | 121.6 | 81% | 0.812 | 72% | 0.717 | S | S | * | * | trans | -67 | 113.6 | 173.4 | 28.2 | -31.2 | 0 | 0 | 0 | 107.7 | G64 G68 | G64-P66 WeakPolarHBondContact O-CD 3.38Å; P66-G68 PolarHBondContact O-N 3.36Å | ||
| 67 | I | 55.3 | Low | 56.1 | Low | 130 Ų | 130 | 114.5 Ų | 114.5 | 67% | 0.667 | 71% | 0.708 | S | S | * | * | trans | -78.7 | 103.3 | 164.4 | -65.6 | 172.4 | 0 | 0 | 0 | 105.6 | Q60 R65 | Q60-I67 HydrophobicContact CB-CD1 3.97Å; Q60-I67 VanDerWaalsContact CD-CD1 3.48Å; Q60-I67 HydrophobicContact CG-CD1 4.16Å; R65-I67 PolarHBondContact O-N 3.1Å; R65-I67 VanDerWaalsContact O-N 3.08Å | ||
| 68 | G | 47.9 | Very low | 55.6 | Low | 57 Ų | 57 | 124.4 Ų | 124.4 | 59% | 0.588 | 74% | 0.737 | S | S | * | * | trans | 179.7 | 90.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | P66 | P66-G68 PolarHBondContact O-N 3.36Š| ||
| 69 | A | 52.2 | Low | 54.4 | Low | 95 Ų | 95 | 122.4 Ų | 122.4 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | trans | -52.3 | 141 | 149.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 70 | L | 51.9 | Low | 53.4 | Low | 172 Ų | 172 | 123.9 Ų | 123.9 | 90% | 0.901 | 75% | 0.75 | S | S | * | * | trans | 91.5 | 93.3 | 178.7 | -49.8 | 164.3 | 0 | 0 | 0 | 115.3 | ||||
| 71 | A | 46.5 | Very low | 52.7 | Low | 97 Ų | 97 | 125.5 Ų | 125.5 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | -175.3 | 80.5 | 124.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | G73 | A71-G73 PolarHBondContact O-N 3.39Š| |||
| 72 | R | 50.9 | Low | 52.2 | Low | 246 Ų | 246 | 128.4 Ų | 128.4 | 93% | 0.928 | 77% | 0.771 | S | S | * | * | trans | -3.3 | 113.7 | 130.7 | 177.7 | -179.6 | -78.7 | -119.7 | -1.2 | 113.6 | ||||
| 73 | G | 51 | Low | 51.2 | Low | 75 Ų | 75 | 129.2 Ų | 129.2 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | 46.9 | 102.1 | 147.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | A71 | A71-G73 PolarHBondContact O-N 3.39Š| ||
| 74 | A | 44.8 | Very low | 50 | Low | 95 Ų | 95 | 132 Ų | 132 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -145.4 | 88.5 | 152.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 75 | I | 50.8 | Low | 49 | Very low | 181 Ų | 181 | 141.2 Ų | 141.2 | 93% | 0.928 | 81% | 0.808 | S | S | * | * | 34.3 | 109.6 | 127.2 | -53.9 | 169.2 | 0 | 0 | 0 | 114.9 | |||||
| 76 | G | 48.7 | Very low | 48 | Very low | 85 Ų | 85 | 135 Ų | 135 | 88% | 0.876 | 80% | 0.804 | S | S | * | * | trans | 167.5 | 62.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 77 | G | 43.8 | Very low | 47.5 | Very low | 78 Ų | 78 | 136.7 Ų | 136.7 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -159.4 | 84.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | G79 | G77-G79 PolarHBondContact O-N 3.24Š| ||
| 78 | R | 51.4 | Low | 47.7 | Very low | 264 Ų | 264 | 136.2 Ų | 136.2 | 100% | 0.996 | 81% | 0.811 | S | S | * | * | trans | -64.1 | 121.9 | 179.6 | -70.6 | 172.9 | 170.1 | 150.2 | -4.5 | 111.4 | ||||
| 79 | G | 41.5 | Very low | 47.6 | Very low | 65 Ų | 65 | 145.2 Ų | 145.2 | 67% | 0.67 | 83% | 0.827 | S | S | * | * | trans | 170.4 | 99.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 106.3 | G77 | G77-G79 PolarHBondContact O-N 3.24Š| ||
| 80 | L | 45.4 | Very low | 47.2 | Very low | 154 Ų | 154 | 144.8 Ų | 144.8 | 81% | 0.806 | 83% | 0.832 | S | S | * | * | -176.1 | 149.3 | 83.2 | -73.2 | 163.3 | 0 | 0 | 0 | 107.4 | |||||
| 81 | P | 49.2 | Very low | 47.1 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | trans | -91.5 | 104.2 | 167.5 | 33 | -24.3 | 0 | 0 | 0 | 109.5 | ||||
| 82 | I | 48.6 | Very low | 47.1 | Very low | 143 Ų | 143 | 143.7 Ų | 143.7 | 73% | 0.733 | 83% | 0.831 | S | S | * | * | trans | -129 | 93 | 168.8 | -59.3 | -179.9 | 0 | 0 | 0 | 109.4 | ||||
| 83 | I | 43.8 | Very low | 46.8 | Very low | 148 Ų | 148 | 143.8 Ų | 143.8 | 76% | 0.759 | 83% | 0.831 | S | S | * | * | trans | 11.4 | 121.3 | 142.9 | -55.2 | 179.8 | 0 | 0 | 0 | 118.3 | ||||
| 84 | Q | 44.8 | Very low | 46.4 | Very low | 177 Ų | 177 | 144.1 Ų | 144.1 | 83% | 0.827 | 84% | 0.835 | S | S | * | * | trans | 27.8 | 112.5 | 145.7 | -71 | -165.9 | 70 | 0 | 0 | 121.4 | ||||
| 85 | R | 43.3 | Very low | 46.3 | Very low | 259 Ų | 259 | 143.5 Ų | 143.5 | 98% | 0.977 | 84% | 0.838 | S | S | * | * | trans | 175.4 | 130 | 138.2 | -129.5 | 166.6 | -79.8 | -163.5 | -7.9 | 107.7 | ||||
| 86 | G | 40.9 | Very low | 46 | Very low | 62 Ų | 62 | 147.1 Ų | 147.1 | 64% | 0.639 | 84% | 0.84 | S | S | * | * | cis | 171.4 | 146.6 | -0.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 87 | L | 45.8 | Very low | 45.6 | Very low | 160 Ų | 160 | 147.5 Ų | 147.5 | 84% | 0.838 | 84% | 0.835 | S | S | * | * | trans | 71.2 | 126.9 | 167.1 | -65.5 | 105.1 | 0 | 0 | 0 | 121.7 | ||||
| 88 | P | 58.8 | Low | 45.4 | Very low | 121 Ų | 121 | 150.4 Ų | 150.4 | 79% | 0.786 | 84% | 0.837 | S | S | * | * | trans | -100.8 | 122.3 | 156.6 | 34.3 | -22.3 | 0 | 0 | 0 | 110.3 | ||||
| 89 | R | 45.8 | Very low | 45.2 | Very low | 246 Ų | 246 | 148.9 Ų | 148.9 | 93% | 0.928 | 83% | 0.831 | S | S | * | * | trans | -171.5 | 126.3 | 164.3 | -116.5 | 161.5 | 170.3 | 149.6 | -2.8 | 114.4 | ||||
| 90 | G | 42.6 | Very low | 45.1 | Very low | 86 Ų | 86 | 152.5 Ų | 152.5 | 89% | 0.887 | 84% | 0.841 | S | S | * | * | trans | 104.9 | 123.9 | 160.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 91 | G | 50.3 | Low | 45.3 | Very low | 79 Ų | 79 | 152.1 Ų | 152.1 | 81% | 0.814 | 84% | 0.839 | S | S | * | * | cis | -168.4 | 160.4 | 9.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 92 | L | 46.8 | Very low | 45 | Very low | 167 Ų | 167 | 154 Ų | 154 | 87% | 0.874 | 84% | 0.841 | S | S | * | * | trans | -71.4 | 144.6 | -174 | -69.3 | 148.5 | 0 | 0 | 0 | 112.8 | ||||
| 93 | R | 45.4 | Very low | 44.9 | Very low | 247 Ų | 247 | 159.2 Ų | 159.2 | 93% | 0.932 | 85% | 0.851 | S | S | * | * | 61.8 | 117.2 | 123.2 | -163.1 | 177.5 | -168.6 | -114.5 | 6.3 | 119.7 | |||||
| 94 | G | 42 | Very low | 44.7 | Very low | 83 Ų | 83 | 156 Ų | 156 | 86% | 0.856 | 86% | 0.855 | S | S | * | * | trans | 147.7 | 131.7 | 154.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 95 | G | 43.3 | Very low | 44.7 | Very low | 82 Ų | 82 | 151.4 Ų | 151.4 | 85% | 0.845 | 86% | 0.855 | S | S | * | * | cis | -170.8 | 168.6 | 10.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 96 | R | 45 | Very low | 44.9 | Very low | 257 Ų | 257 | 148 Ų | 148 | 97% | 0.97 | 85% | 0.852 | S | S | * | * | trans | -73.5 | 146.5 | -173.3 | -68.3 | 169.2 | 157.8 | 123.9 | -6.3 | 113.8 | ||||
| 97 | A | 39.1 | Very low | 45.2 | Very low | 92 Ų | 92 | 150.4 Ų | 150.4 | 76% | 0.76 | 86% | 0.86 | S | S | * | * | trans | -178.1 | 141.1 | 143 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 98 | T | 39.8 | Very low | 45.2 | Very low | 140 Ų | 140 | 148.4 Ų | 148.4 | 86% | 0.859 | 85% | 0.849 | S | S | * | * | cis | -164.2 | 155 | -4.7 | 25.5 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 99 | R | 46.6 | Very low | 44.3 | Very low | 231 Ų | 231 | 153.1 Ų | 153.1 | 87% | 0.872 | 85% | 0.851 | S | S | * | * | trans | -100.2 | 129.1 | -173.3 | -166.5 | -167 | -64.4 | 173.5 | -2 | 108.3 | ||||
| 100 | T | 40.1 | Very low | 44 | Very low | 141 Ų | 141 | 145.2 Ų | 145.2 | 87% | 0.865 | 85% | 0.846 | S | S | * | * | trans | -135.6 | 121.6 | 163.6 | 26 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 101 | L | 49 | Very low | 44 | Very low | 147 Ų | 147 | 149.1 Ų | 149.1 | 77% | 0.77 | 84% | 0.842 | S | S | * | * | trans | -80.2 | 179 | 174 | -63 | 166.6 | 0 | 0 | 0 | 110.3 | ||||
| 102 | L | 44.4 | Very low | 43.6 | Very low | 166 Ų | 166 | 151.9 Ų | 151.9 | 87% | 0.869 | 84% | 0.838 | S | S | * | * | trans | 113.3 | 93.9 | 168.5 | -76.7 | 83.2 | 0 | 0 | 0 | 112.2 | ||||
| 103 | R | 45.8 | Very low | 43.4 | Very low | 252 Ų | 252 | 151.3 Ų | 151.3 | 95% | 0.951 | 84% | 0.835 | S | S | * | * | 57.7 | 100.3 | 60.7 | -171.5 | 176.8 | -107.9 | -107.4 | 0.3 | 112.9 | |||||
| 104 | G | 39.4 | Very low | 43.4 | Very low | 82 Ų | 82 | 146.6 Ų | 146.6 | 85% | 0.845 | 83% | 0.827 | S | S | * | * | trans | 153.6 | 127.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 105 | G | 44.3 | Very low | 43.3 | Very low | 80 Ų | 80 | 154.2 Ų | 154.2 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | cis | -164.5 | 154.8 | 2.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 106 | M | 48.4 | Very low | 43 | Very low | 186 Ų | 186 | 154.3 Ų | 154.3 | 92% | 0.916 | 83% | 0.831 | S | S | * | * | trans | -89.3 | 143.1 | 168.3 | -59.5 | -178.7 | 84.2 | 0 | 0 | 108.9 | ||||
| 107 | S | 46.4 | Very low | 42.7 | Very low | 114 Ų | 114 | 146 Ų | 146 | 80% | 0.797 | 83% | 0.825 | S | S | * | * | trans | -150 | 97 | 150.5 | -143.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 108 | L | 45.8 | Very low | 42.7 | Very low | 118 Ų | 118 | 153.4 Ų | 153.4 | 62% | 0.618 | 83% | 0.834 | S | S | * | * | 28.9 | 120.8 | 118.3 | -59.3 | 176.7 | 0 | 0 | 0 | 116.9 | |||||
| 109 | R | 40.7 | Very low | 42.4 | Very low | 219 Ų | 219 | 151.1 Ų | 151.1 | 83% | 0.826 | 83% | 0.829 | S | S | * | * | 82.8 | 111.7 | 91.7 | -156.8 | -164.1 | -55.3 | -127.7 | 4.7 | 112.1 | |||||
| 110 | G | 39.6 | Very low | 42 | Very low | 80 Ų | 80 | 147.1 Ų | 147.1 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | trans | -164.7 | 90.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 111 | Q | 41.9 | Very low | 42 | Very low | 168 Ų | 168 | 144.6 Ų | 144.6 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | trans | -82.6 | 150.3 | 173.3 | -75 | 174.1 | -38.9 | 0 | 0 | 111.2 | ||||
| 112 | N | 41.3 | Very low | 42.4 | Very low | 138 Ų | 138 | 143.2 Ų | 143.2 | 74% | 0.738 | 82% | 0.823 | S | S | * | * | trans | 54.1 | 124.1 | 141.4 | -65.8 | -11.6 | 0 | 0 | 0 | 120.8 | ||||
| 113 | L | 43.2 | Very low | 42.2 | Very low | 155 Ų | 155 | 146.5 Ų | 146.5 | 81% | 0.812 | 82% | 0.824 | S | S | * | * | trans | -164.5 | 117.4 | 143 | -104.9 | 117.4 | 0 | 0 | 0 | 110.8 | ||||
| 114 | L | 44.6 | Very low | 42.1 | Very low | 147 Ų | 147 | 142.6 Ų | 142.6 | 77% | 0.77 | 82% | 0.819 | S | S | * | * | trans | 73.6 | 111 | 138.4 | -53.1 | 151.2 | 0 | 0 | 0 | 118 | ||||
| 115 | R | 39.9 | Very low | 42.5 | Very low | 244 Ų | 244 | 141.9 Ų | 141.9 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | 60.9 | 109.8 | 65.1 | -173.6 | 176.7 | -80.6 | -120.1 | 0.2 | 114.5 | |||||
| 116 | G | 37.1 | Very low | 42.6 | Very low | 84 Ų | 84 | 146.1 Ų | 146.1 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | trans | 84.5 | 146.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 117 | G | 38.8 | Very low | 42.5 | Very low | 82 Ų | 82 | 148.1 Ų | 148.1 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | cis | -176.4 | -176 | 14.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 118 | R | 39.7 | Very low | 42.6 | Very low | 247 Ų | 247 | 153.3 Ų | 153.3 | 93% | 0.932 | 81% | 0.814 | S | S | * | * | trans | -65.7 | 158.3 | -163.7 | -78.7 | 168.5 | 155.9 | 145.9 | -7.9 | 118.1 | ||||
| 119 | A | 34 | Very low | 42.6 | Very low | 92 Ų | 92 | 151.5 Ų | 151.5 | 76% | 0.76 | 82% | 0.824 | S | S | * | * | trans | 73.9 | 125.3 | 139.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 120 | V | 36.9 | Very low | 43.2 | Very low | 148 Ų | 148 | 144.4 Ų | 144.4 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | 176.7 | 130.9 | 124.4 | 163.9 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 121 | A | 40.5 | Very low | 43.4 | Very low | 88 Ų | 88 | 145.8 Ų | 145.8 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | -127.1 | 174.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 122 | P | 58.2 | Low | 43.6 | Very low | 118 Ų | 118 | 148.4 Ų | 148.4 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | -122.9 | 155.2 | -55.5 | 35 | -22 | 0 | 0 | 0 | 110.3 | |||||
| 123 | R | 39.3 | Very low | 44.1 | Very low | 234 Ų | 234 | 145.3 Ų | 145.3 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | trans | -149.5 | 128.1 | 164.6 | -98.1 | -164.1 | 179.6 | -166.7 | 0.3 | 114.5 | ||||
| 124 | M | 44.4 | Very low | 44.4 | Very low | 170 Ų | 170 | 150.1 Ų | 150.1 | 84% | 0.837 | 82% | 0.822 | S | S | * | * | trans | 62.3 | 113.7 | 149.8 | -70.6 | -164.2 | 174.8 | 0 | 0 | 120.3 | ||||
| 125 | G | 46.5 | Very low | 44.2 | Very low | 67 Ų | 67 | 147.3 Ų | 147.3 | 69% | 0.691 | 83% | 0.828 | S | S | * | * | trans | -73.1 | 158.3 | 155.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 126 | L | 48.3 | Very low | 44.5 | Very low | 169 Ų | 169 | 139.2 Ų | 139.2 | 89% | 0.885 | 82% | 0.82 | S | S | * | * | trans | -170.8 | 107.4 | 148.6 | -130.4 | 72.4 | 0 | 0 | 0 | 106.2 | ||||
| 127 | R | 45.8 | Very low | 45.3 | Very low | 228 Ų | 228 | 141.9 Ų | 141.9 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | trans | -165.6 | 94.8 | 147.5 | -103.5 | 163.1 | -140.8 | -70.9 | 1.8 | 110.7 | ||||
| 128 | R | 47.7 | Very low | 45.7 | Very low | 223 Ų | 223 | 141.7 Ų | 141.7 | 84% | 0.842 | 82% | 0.821 | S | S | * | * | trans | 84.2 | 87.1 | 133 | -157.1 | 170.1 | -69.7 | -162.8 | -2.5 | 117.4 | ||||
| 129 | G | 46 | Very low | 46.1 | Very low | 81 Ų | 81 | 142 Ų | 142 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | trans | -73.2 | 158.1 | 155.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 130 | G | 52.6 | Low | 46.5 | Very low | 69 Ų | 69 | 141.6 Ų | 141.6 | 71% | 0.711 | 83% | 0.827 | S | S | * | * | trans | -147.4 | 100.5 | 171 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 131 | V | 44.9 | Very low | 46.9 | Very low | 109 Ų | 109 | 138.1 Ų | 138.1 | 66% | 0.661 | 82% | 0.821 | S | S | * | * | trans | 79.4 | 101.1 | 137.5 | -175 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 132 | R | 45.5 | Very low | 47.1 | Very low | 224 Ų | 224 | 142.7 Ų | 142.7 | 85% | 0.845 | 83% | 0.832 | S | S | * | * | 59.1 | 113.2 | 125.5 | -60.6 | 170.2 | -125.7 | 170.4 | 8.8 | 118.4 | |||||
| 133 | G | 52.3 | Low | 46.3 | Very low | 73 Ų | 73 | 140.6 Ų | 140.6 | 75% | 0.753 | 83% | 0.831 | S | S | * | * | trans | -71.7 | 160.3 | 160.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 134 | R | 48.9 | Very low | 46.5 | Very low | 256 Ų | 256 | 141.5 Ų | 141.5 | 97% | 0.966 | 84% | 0.835 | S | S | * | * | trans | -170.1 | 132 | 149 | -101.2 | 179.9 | -161.9 | -140.9 | 4.9 | 106.7 | ||||
| 135 | G | 40.6 | Very low | 46.5 | Very low | 88 Ų | 88 | 137.2 Ų | 137.2 | 91% | 0.907 | 83% | 0.834 | S | S | * | * | trans | -87.4 | -169.8 | -159.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 136 | G | 45.7 | Very low | 46.2 | Very low | 73 Ų | 73 | 139 Ų | 139 | 75% | 0.753 | 84% | 0.842 | S | S | * | * | trans | 169.4 | 126.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 137 | P | 54.2 | Low | 46.2 | Very low | 141 Ų | 141 | 140.1 Ų | 140.1 | 92% | 0.916 | 85% | 0.845 | S | S | * | * | trans | -92.2 | 137.5 | -169.3 | 35.5 | -31.5 | 0 | 0 | 0 | 112.8 | ||||
| 138 | G | 46.9 | Very low | 46.2 | Very low | 78 Ų | 78 | 132.5 Ų | 132.5 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | trans | -145.7 | 108.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 139 | R | 48.6 | Very low | 46 | Very low | 253 Ų | 253 | 134 Ų | 134 | 96% | 0.955 | 84% | 0.843 | S | S | * | * | trans | -59.3 | 148.7 | -171.6 | -68 | 167 | 167.2 | -157.7 | -3.5 | 115.5 | ||||
| 140 | G | 42.4 | Very low | 45.9 | Very low | 84 Ų | 84 | 134.1 Ų | 134.1 | 87% | 0.866 | 85% | 0.845 | S | S | * | * | trans | 89.8 | 132.8 | 144.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 141 | G | 45 | Very low | 45.5 | Very low | 75 Ų | 75 | 134.7 Ų | 134.7 | 77% | 0.773 | 85% | 0.851 | S | S | * | * | cis | 155.7 | 141.8 | 16.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 142 | L | 46.1 | Very low | 45.7 | Very low | 184 Ų | 184 | 138.3 Ų | 138.3 | 96% | 0.963 | 87% | 0.865 | S | S | * | * | trans | -63.8 | 129.5 | -172.5 | -63.4 | 148.5 | 0 | 0 | 0 | 112.6 | ||||
| 143 | G | 39.9 | Very low | 45.4 | Very low | 73 Ų | 73 | 131.3 Ų | 131.3 | 75% | 0.753 | 86% | 0.862 | S | S | * | * | 86.2 | 171.4 | 128.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 144 | R | 44.9 | Very low | 45 | Very low | 254 Ų | 254 | 131 Ų | 131 | 96% | 0.958 | 86% | 0.859 | S | S | * | * | trans | 78.7 | 120.9 | 161.8 | -122.2 | 177 | -81.8 | -112.8 | 4.2 | 117 | ||||
| 145 | G | 43.8 | Very low | 44.8 | Very low | 79 Ų | 79 | 131 Ų | 131 | 81% | 0.814 | 86% | 0.859 | S | S | * | * | trans | -79.2 | -175.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 146 | A | 40.9 | Very low | 44.8 | Very low | 105 Ų | 105 | 130.7 Ų | 130.7 | 87% | 0.868 | 86% | 0.857 | S | S | * | * | trans | -159 | 129.9 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 147 | M | 46.7 | Very low | 44.9 | Very low | 192 Ų | 192 | 139.6 Ų | 139.6 | 95% | 0.946 | 87% | 0.867 | S | S | * | * | trans | -74.3 | 144.3 | 170.8 | -170.1 | -179.5 | -176.2 | 0 | 0 | 110 | ||||
| 148 | G | 46.4 | Very low | 44.3 | Very low | 68 Ų | 68 | 136 Ų | 136 | 70% | 0.701 | 86% | 0.856 | S | S | * | * | trans | 69.3 | 118.2 | 145.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 149 | R | 43 | Very low | 44.5 | Very low | 254 Ų | 254 | 141 Ų | 141 | 96% | 0.958 | 86% | 0.86 | S | S | * | * | trans | -166.1 | 131.1 | 135.3 | -116.7 | 173.1 | -149.9 | -120 | 0.5 | 110.9 | ||||
| 150 | G | 44.8 | Very low | 44.6 | Very low | 85 Ų | 85 | 136.4 Ų | 136.4 | 88% | 0.876 | 85% | 0.853 | S | S | * | * | trans | -65 | 157.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 151 | G | 43.2 | Very low | 44.7 | Very low | 81 Ų | 81 | 135.8 Ų | 135.8 | 84% | 0.835 | 85% | 0.846 | S | S | * | * | trans | -148.8 | 110.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 152 | I | 48.9 | Very low | 45.1 | Very low | 185 Ų | 185 | 143.5 Ų | 143.5 | 95% | 0.949 | 85% | 0.852 | S | S | * | * | trans | -68.1 | 140.8 | 170.8 | -69.3 | 162.9 | 0 | 0 | 0 | 109.2 | ||||
| 153 | G | 40.6 | Very low | 44.9 | Very low | 77 Ų | 77 | 138.1 Ų | 138.1 | 79% | 0.794 | 84% | 0.841 | S | S | * | * | trans | 135 | 103.2 | 149.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 154 | G | 43.5 | Very low | 45.6 | Very low | 67 Ų | 67 | 147.1 Ų | 147.1 | 69% | 0.691 | 85% | 0.852 | S | S | * | * | trans | -177.3 | 48.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 155 | R | 45.5 | Very low | 45.6 | Very low | 254 Ų | 254 | 138.4 Ų | 138.4 | 96% | 0.958 | 84% | 0.841 | S | S | * | * | trans | 44.4 | 115.5 | 142.6 | -61.1 | 179.2 | -77.5 | -141.1 | -1.2 | 119.7 | ||||
| 156 | G | 38.7 | Very low | 45.9 | Very low | 83 Ų | 83 | 138.1 Ų | 138.1 | 86% | 0.856 | 84% | 0.838 | S | S | * | * | trans | 173.7 | 63.3 | 160.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 157 | R | 49.2 | Very low | 46.3 | Very low | 259 Ų | 259 | 143.9 Ų | 143.9 | 98% | 0.977 | 84% | 0.844 | S | S | * | * | trans | -73.1 | 123.9 | -176.8 | -149.5 | 176.5 | -167.7 | -166.5 | 3.2 | 110.3 | ||||
| 158 | G | 41.2 | Very low | 46.4 | Very low | 65 Ų | 65 | 137.5 Ų | 137.5 | 67% | 0.67 | 83% | 0.827 | S | S | * | * | trans | -168.5 | 48.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 159 | M | 51.6 | Low | 46.9 | Very low | 184 Ų | 184 | 138.4 Ų | 138.4 | 91% | 0.906 | 84% | 0.836 | S | S | * | * | trans | -128.5 | 88.1 | 165.9 | -80.4 | -56.9 | 168.2 | 0 | 0 | 110.1 | ||||
| 160 | I | 49.3 | Very low | 47.5 | Very low | 157 Ų | 157 | 137.1 Ų | 137.1 | 81% | 0.805 | 83% | 0.832 | S | S | * | * | trans | -113.8 | 103.4 | 155.7 | -63.3 | 173.9 | 0 | 0 | 0 | 105.3 | ||||
| 161 | G | 46.2 | Very low | 48.1 | Very low | 70 Ų | 70 | 137 Ų | 137 | 72% | 0.722 | 83% | 0.831 | S | S | * | * | trans | -163.4 | 74.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | G163 | G161-G163 PolarHBondContact O-N 2.94Š| ||
| 162 | R | 52.3 | Low | 48.8 | Very low | 238 Ų | 238 | 144.1 Ų | 144.1 | 90% | 0.898 | 83% | 0.832 | S | S | * | * | trans | -45.5 | 117.4 | 172.9 | -82.8 | 169.5 | -92.1 | -116.2 | -3.7 | 110.6 | ||||
| 163 | G | 41.8 | Very low | 48.8 | Very low | 70 Ų | 70 | 139.1 Ų | 139.1 | 72% | 0.722 | 83% | 0.826 | S | S | * | * | trans | -150.3 | 82.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | G161 G165 | G161-G163 PolarHBondContact O-N 2.94Å; G163-G165 PolarHBondContact O-N 3.46Å | ||
| 164 | R | 54.7 | Low | 49.6 | Very low | 263 Ų | 263 | 146.8 Ų | 146.8 | 99% | 0.992 | 83% | 0.831 | S | S | * | * | trans | -54 | 123.6 | 174.1 | -177.1 | -179.4 | -175.9 | -171.9 | 1.4 | 110.6 | ||||
| 165 | G | 44.3 | Very low | 50 | Low | 71 Ų | 71 | 147.2 Ų | 147.2 | 73% | 0.732 | 84% | 0.835 | S | S | * | * | trans | 140.5 | 100.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | G163 | G163-G165 PolarHBondContact O-N 3.46Š| ||
| 166 | G | 50.1 | Low | 50.7 | Low | 72 Ų | 72 | 147 Ų | 147 | 74% | 0.742 | 83% | 0.834 | S | S | * | * | 109.7 | 123.4 | 59.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | |||||
| 167 | F | 50.3 | Low | 51.5 | Low | 227 Ų | 227 | 146.2 Ų | 146.2 | 100% | 0.996 | 83% | 0.827 | S | S | * | * | trans | -39.2 | 137 | -179.6 | -77.3 | -106 | 0 | 0 | 0 | 114.2 | ||||
| 168 | G | 48.5 | Very low | 51.8 | Low | 57 Ų | 57 | 146 Ų | 146 | 59% | 0.588 | 83% | 0.826 | S | S | * | * | trans | -178.9 | 66.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R170 | G168-R170 PolarHBondContact O-N 3.44Š| ||
| 169 | G | 58 | Low | 52.3 | Low | 87 Ų | 87 | 146 Ų | 146 | 90% | 0.897 | 83% | 0.826 | S | S | * | * | trans | -52.3 | 108.9 | 159.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 170 | R | 55.1 | Low | 52.5 | Low | 227 Ų | 227 | 142.3 Ų | 142.3 | 86% | 0.857 | 82% | 0.824 | S | S | * | * | trans | -134.2 | 70.4 | 168.9 | -68.1 | -172.7 | -151.9 | 173.6 | 8.5 | 109.1 | G168 R172 | G168-R170 PolarHBondContact O-N 3.44Å; R170-R172 PolarHBondContact O-N 2.9Å | ||
| 171 | G | 56.5 | Low | 52.8 | Low | 83 Ų | 83 | 142.4 Ų | 142.4 | 86% | 0.856 | 83% | 0.826 | S | S | * | * | trans | -64.5 | 84.4 | 151.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 172 | R | 57.9 | Low | 53.5 | Low | 231 Ų | 231 | 143.6 Ų | 143.6 | 87% | 0.872 | 83% | 0.828 | S | S | * | * | trans | -143.4 | 57.8 | 163.2 | -71.1 | -164.3 | 179.1 | -177.8 | 0.1 | 109.7 | R170 R174 | R170-R172 PolarHBondContact O-N 2.9Å; R172-R174 PolarHBondContact O-N 3.08Å | ||
| 173 | G | 49.8 | Very low | 53.8 | Low | 79 Ų | 79 | 143.3 Ų | 143.3 | 81% | 0.814 | 83% | 0.827 | S | S | * | * | trans | -82.4 | 97.4 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109 | G175 | G173-G175 PolarHBondContact O-N 3.34Š| ||
| 174 | R | 57.4 | Low | 54.9 | Low | 238 Ų | 238 | 144.8 Ų | 144.8 | 90% | 0.898 | 82% | 0.824 | S | S | * | * | trans | -56.4 | 96 | 178.2 | -69.2 | 172.9 | 171.1 | 169.5 | -4.6 | 110.7 | R172 R176 | R172-R174 PolarHBondContact O-N 3.08Å; R174-R176 PolarHBondContact O-N 2.88Å; R174-R176 VanDerWaalsContact O-N 3.09Å | ||
| 175 | G | 52.4 | Low | 55.7 | Low | 76 Ų | 76 | 138.9 Ų | 138.9 | 78% | 0.784 | 82% | 0.817 | S | S | * | * | trans | -65.4 | 103.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | G173 G177 | G173-G175 PolarHBondContact O-N 3.34Å; G175-G177 PolarHBondContact O-N 2.96Å | ||
| 176 | R | 59.7 | Low | 57.2 | Low | 249 Ų | 249 | 138.8 Ų | 138.8 | 94% | 0.94 | 80% | 0.799 | S | S | * | * | trans | -68.1 | 77.1 | 163.9 | -74.6 | -179.4 | 172.5 | 174.4 | -2.4 | 108.5 | R174 R178 | R174-R176 PolarHBondContact O-N 2.88Å; R174-R176 VanDerWaalsContact O-N 3.09Å; R176-R178 PolarHBondContact O-N 3.03Å | ||
| 177 | G | 54.9 | Low | 58.9 | Low | 67 Ų | 67 | 138.7 Ų | 138.7 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | trans | -84.8 | 91.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | G175 G179 | G175-G177 PolarHBondContact O-N 2.96Å; G177-G179 PolarHBondContact O-N 3.21Å; G177-G179 VanDerWaalsContact O-N 3.15Å | ||
| 178 | R | 56.6 | Low | 60.7 | Low | 256 Ų | 256 | 135.6 Ų | 135.6 | 97% | 0.966 | 77% | 0.771 | S | S | * | * | trans | -52 | 115.9 | 158.2 | -90.7 | 176.3 | 163.8 | 171.3 | -5.8 | 107.8 | R176 | R176-R178 PolarHBondContact O-N 3.03Š| ||
| 179 | G | 50.7 | Low | 62.6 | Low | 64 Ų | 64 | 139.7 Ų | 139.7 | 66% | 0.66 | 77% | 0.774 | S | S | * | * | trans | 161.1 | 0.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | G177 L181 | G177-G179 PolarHBondContact O-N 3.21Å; G177-G179 VanDerWaalsContact O-N 3.15Å; G179-L181 PolarHBondContact O-N 2.88Å | ||
| 180 | A | 55.1 | Low | 64 | Low | 106 Ų | 106 | 139.6 Ų | 139.6 | 88% | 0.876 | 75% | 0.751 | S | S | * | * | trans | -73.8 | 51.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A182 | A180-A182 PolarHBondContact O-N 3.38Š| ||
| 181 | L | 57.3 | Low | 65.7 | Low | 160 Ų | 160 | 132.5 Ų | 132.5 | 84% | 0.838 | 73% | 0.729 | S | S | * | * | trans | -88.1 | 97.8 | 162.7 | -71.5 | 173.4 | 0 | 0 | 0 | 107.4 | G179 | G179-L181 PolarHBondContact O-N 2.88Š| ||
| 182 | A | 59.9 | Low | 67.4 | Low | 94 Ų | 94 | 131.9 Ų | 131.9 | 78% | 0.777 | 71% | 0.706 | S | S | * | * | trans | 50.9 | 70.2 | 145.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | A180 | A180-A182 PolarHBondContact O-N 3.38Š| ||
| 183 | R | 59.5 | Low | 69 | Low | 232 Ų | 232 | 125.7 Ų | 125.7 | 88% | 0.875 | 69% | 0.691 | S | S | * | * | trans | -101.9 | 117.6 | 146.3 | -63.3 | -174.7 | 83.5 | 171.6 | 4 | 106.6 | V185 | R183-V185 PolarHBondContact O-N 3.12Š| ||
| 184 | P | 63.9 | Low | 70.9 | Confident | 101 Ų | 101 | 126.9 Ų | 126.9 | 66% | 0.656 | 68% | 0.675 | S | S | * | * | trans | -56.7 | 129.6 | 169.4 | 24.7 | -30.8 | 0 | 0 | 0 | 106.9 | L186 | P184-L186 VanDerWaalsContact C-N 3.27Å; P184-L186 HydrophobicContact CG-CD2 4.32Å; P184-L186 PolarHBondContact O-N 2.97Å | ||
| 185 | V | 71.3 | Confident | 72.4 | Confident | 139 Ų | 139 | 120.3 Ų | 120.3 | 84% | 0.842 | 66% | 0.657 | S | S | * | * | trans | -66 | 98.1 | 171 | 177.9 | 0 | 0 | 0 | 0 | 105.1 | R183 T187 | R183-V185 PolarHBondContact O-N 3.12Å; V185-T187 PolarHBondContact O-N 3.26Å | ||
| 186 | L | 76.8 | Confident | 74.1 | Confident | 69 Ų | 69 | 121.8 Ų | 121.8 | 36% | 0.361 | 65% | 0.647 | S | S | . | * | trans | -62.5 | 124 | -178.4 | -64.5 | 173.5 | 0 | 0 | 0 | 107.8 | P184 Q190 L191 | P184-L186 VanDerWaalsContact C-N 3.27Å; P184-L186 HydrophobicContact CG-CD2 4.32Å; P184-L186 PolarHBondContact O-N 2.97Å; L186-Q190 HydrophobicContact CB-CB 4.44Å; L186-Q190 HydrophobicContact CD2-CB 4.42Å; L186-L191 HydrophobicContact CB-CD2 4.01Å; L186-L191 HydrophobicContact CB-CG 4.14Å; L186-L191 HydrophobicContact CD1-CD2 3.77Å | ||
| 187 | T | 84.9 | Confident | 75.3 | Confident | 71 Ų | 71 | 112.2 Ų | 112.2 | 44% | 0.436 | 62% | 0.622 | S | S | . | * | trans | -66.7 | 157.2 | 174.2 | 62.2 | 0 | 0 | 0 | 0 | 109.2 | V185 E189 Q190 L191 | V185-T187 PolarHBondContact O-N 3.26Å; T187-E189 PolarHBondContact O-N 3.47Å; T187-Q190 WeakPolarHBondContact O-CB 3.43Å; T187-Q190 PolarHBondContact O-N 3.24Å; T187-Q190 VanDerWaalsContact OG1-CG 3.31Å; T187-Q190 WeakPolarHBondContact OG1-CG 3.26Å; T187-Q190 PolarHBondContact OG1-N 2.87Å; T187-L191 PolarHBondContact O-N 3.03Å; T187-L191 VanDerWaalsContact O-N 3.12Å | ||
| 188 | K | 88.1 | Confident | 76.7 | Confident | 162 Ų | 162 | 116 Ų | 116 | 70% | 0.704 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -51.8 | -44.3 | 176.7 | -175.2 | -174.3 | 172.1 | -168.5 | 0 | 111.2 | Q190 L191 D192 | K188-Q190 VanDerWaalsContact C-N 3.31Å; K188-Q190 PolarHBondContact O-N 3.32Å; K188-L191 WeakPolarHBondContact O-CB 3.39Å; K188-L191 PolarHBondContact O-N 2.87Å; K188-L191 VanDerWaalsContact O-N 3.08Å; K188-D192 VanDerWaalsContact O-CG 3.29Å; K188-D192 PolarHBondContact O-N 2.9Å |
| 189 | E | 88.2 | Confident | 77.9 | Confident | 142 Ų | 142 | 108.5 Ų | 108.5 | 66% | 0.664 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -60.6 | -36 | 176.8 | -63.2 | 173.2 | -178.9 | 0 | 0 | 113.2 | T187 L191 D192 N193 | T187-E189 PolarHBondContact O-N 3.47Å; E189-L191 VanDerWaalsContact C-N 3.34Å; E189-D192 PolarHBondContact O-N 3.48Å; E189-N193 WeakPolarHBondContact O-CB 3.33Å; E189-N193 VanDerWaalsContact O-CG 3.23Å; E189-N193 PolarHBondContact O-N 3.12Å; E189-N193 PolarHBondContact O-ND2 3.18Å |
| 190 | Q | 87.4 | Confident | 78.9 | Confident | 86 Ų | 86 | 109.1 Ų | 109.1 | 40% | 0.402 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -70.7 | -31.6 | 175.8 | -73.9 | 172.1 | -9.1 | 0 | 0 | 112.5 | L186 T187 K188 Q194 | L186-Q190 HydrophobicContact CB-CB 4.44Å; L186-Q190 HydrophobicContact CD2-CB 4.42Å; T187-Q190 WeakPolarHBondContact O-CB 3.43Å; T187-Q190 PolarHBondContact O-N 3.24Å; T187-Q190 VanDerWaalsContact OG1-CG 3.31Å; T187-Q190 WeakPolarHBondContact OG1-CG 3.26Å; T187-Q190 PolarHBondContact OG1-N 2.87Å; K188-Q190 VanDerWaalsContact C-N 3.31Å; K188-Q190 PolarHBondContact O-N 3.32Å; Q190-Q194 VanDerWaalsContact O-CG 3.24Å; Q190-Q194 WeakPolarHBondContact O-CG 3.36Å; Q190-Q194 PolarHBondContact O-N 3.47Å; Q190-Q194 VanDerWaalsContact O-N 3.1Å |
| 191 | L | 91.5 | Very high | 79.5 | Confident | 78 Ų | 78 | 111.3 Ų | 111.3 | 41% | 0.408 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -71.3 | -42.5 | 173.1 | -65.5 | 173.4 | 0 | 0 | 0 | 110.7 | L186 T187 K188 E189 N193 Q194 L195 | L186-L191 HydrophobicContact CB-CD2 4.01Å; L186-L191 HydrophobicContact CB-CG 4.14Å; L186-L191 HydrophobicContact CD1-CD2 3.77Å; T187-L191 PolarHBondContact O-N 3.03Å; T187-L191 VanDerWaalsContact O-N 3.12Å; K188-L191 WeakPolarHBondContact O-CB 3.39Å; K188-L191 PolarHBondContact O-N 2.87Å; K188-L191 VanDerWaalsContact O-N 3.08Å; E189-L191 VanDerWaalsContact C-N 3.34Å; L191-N193 VanDerWaalsContact C-N 3.33Å; L191-N193 PolarHBondContact O-N 3.02Å; L191-Q194 WeakPolarHBondContact O-CB 3.46Å; L191-Q194 PolarHBondContact O-N 3.04Å; L191-Q194 VanDerWaalsContact O-N 3.13Å; L191-L195 WeakPolarHBondContact O-CG 3.46Å; L191-L195 PolarHBondContact O-N 3.23Å |
| 192 | D | 92.3 | Very high | 79.9 | Confident | 69 Ų | 69 | 105.7 Ų | 105.7 | 37% | 0.369 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 176.6 | -65 | -18.8 | 0 | 0 | 0 | 110.2 | K188 E189 Q194 L195 D196 | K188-D192 VanDerWaalsContact O-CG 3.29Å; K188-D192 PolarHBondContact O-N 2.9Å; E189-D192 PolarHBondContact O-N 3.48Å; D192-Q194 VanDerWaalsContact C-N 3.34Å; D192-Q194 PolarHBondContact O-N 3.43Å; D192-L195 CarbonylContact O-C 3.56Å; D192-L195 WeakPolarHBondContact O-CA 3.44Å; D192-L195 WeakPolarHBondContact O-CB 3.41Å; D192-L195 PolarHBondContact O-N 2.88Å; D192-L195 VanDerWaalsContact O-N 3.1Å; D192-D196 PolarHBondContact O-N 3.29Å |
| 193 | N | 90.7 | Very high | 80 | Confident | 102 Ų | 102 | 107.8 Ų | 107.8 | 55% | 0.545 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.4 | -34.8 | 174 | -72.8 | -41.9 | 0 | 0 | 0 | 113.7 | E189 L191 L195 D196 A197 | E189-N193 WeakPolarHBondContact O-CB 3.33Å; E189-N193 VanDerWaalsContact O-CG 3.23Å; E189-N193 PolarHBondContact O-N 3.12Å; E189-N193 PolarHBondContact O-ND2 3.18Å; L191-N193 VanDerWaalsContact C-N 3.33Å; L191-N193 PolarHBondContact O-N 3.02Å; N193-L195 VanDerWaalsContact C-N 3.34Å; N193-D196 PolarHBondContact O-N 3.42Å; N193-A197 VanDerWaalsContact O-CB 3.28Å; N193-A197 WeakPolarHBondContact O-CB 3.27Å; N193-A197 PolarHBondContact O-N 3.42Å |
| 194 | Q | 89.7 | Confident | 80.3 | Confident | 104 Ų | 104 | 99.1 Ų | 99.1 | 49% | 0.486 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.3 | -35.4 | 174.3 | -77.1 | 173.3 | 9.5 | 0 | 0 | 111.5 | Q190 L191 D192 Y198 | Q190-Q194 VanDerWaalsContact O-CG 3.24Å; Q190-Q194 WeakPolarHBondContact O-CG 3.36Å; Q190-Q194 PolarHBondContact O-N 3.47Å; Q190-Q194 VanDerWaalsContact O-N 3.1Å; L191-Q194 WeakPolarHBondContact O-CB 3.46Å; L191-Q194 PolarHBondContact O-N 3.04Å; L191-Q194 VanDerWaalsContact O-N 3.13Å; D192-Q194 VanDerWaalsContact C-N 3.34Å; D192-Q194 PolarHBondContact O-N 3.43Å; Q194-Y198 VanDerWaalsContact O-CB 3.3Å; Q194-Y198 WeakPolarHBondContact O-CB 3.42Å; Q194-Y198 PolarHBondContact O-N 3.48Å |
| 195 | L | 88.7 | Confident | 80.4 | Confident | 100 Ų | 100 | 99.3 Ų | 99.3 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67 | -44.7 | 172.8 | -69 | 173 | 0 | 0 | 0 | 110.4 | L191 D192 N193 A197 Y198 M199 | L191-L195 WeakPolarHBondContact O-CG 3.46Å; L191-L195 PolarHBondContact O-N 3.23Å; D192-L195 CarbonylContact O-C 3.56Å; D192-L195 WeakPolarHBondContact O-CA 3.44Å; D192-L195 WeakPolarHBondContact O-CB 3.41Å; D192-L195 PolarHBondContact O-N 2.88Å; D192-L195 VanDerWaalsContact O-N 3.1Å; N193-L195 VanDerWaalsContact C-N 3.34Å; L195-A197 PolarHBondContact O-N 3.1Å; L195-Y198 CarbonylContact O-C 3.58Å; L195-Y198 WeakPolarHBondContact O-CB 3.41Å; L195-Y198 PolarHBondContact O-N 3.3Å; L195-Y198 VanDerWaalsContact O-N 3.08Å; L195-M199 WeakPolarHBondContact O-CB 3.43Å; L195-M199 WeakPolarHBondContact O-CG 3.24Å; L195-M199 PolarHBondContact O-N 3.42Å |
| 196 | D | 88.1 | Confident | 80.5 | Confident | 106 Ų | 106 | 96.7 Ų | 96.7 | 57% | 0.567 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.8 | -41.1 | 176.2 | -70.6 | -18.7 | 0 | 0 | 0 | 112.1 | D192 N193 Y198 M199 S200 | D192-D196 PolarHBondContact O-N 3.29Å; N193-D196 PolarHBondContact O-N 3.42Å; D196-Y198 VanDerWaalsContact C-N 3.27Å; D196-Y198 PolarHBondContact O-N 3.11Å; D196-M199 PolarHBondContact O-N 2.76Å; D196-S200 WeakPolarHBondContact O-CB 3.23Å; D196-S200 PolarHBondContact O-N 2.84Å; D196-S200 PolarHBondContact O-OG 3.39Å |
| 197 | A | 86.6 | Confident | 80.5 | Confident | 49 Ų | 49 | 97.1 Ų | 97.1 | 41% | 0.405 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.2 | -27.9 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | N193 L195 S200 K201 | N193-A197 VanDerWaalsContact O-CB 3.28Å; N193-A197 WeakPolarHBondContact O-CB 3.27Å; N193-A197 PolarHBondContact O-N 3.42Å; L195-A197 PolarHBondContact O-N 3.1Å; A197-S200 WeakPolarHBondContact CA-OG 3.47Å; A197-S200 PolarHBondContact O-OG 2.71Å; A197-S200 VanDerWaalsContact O-OG 3.08Å; A197-K201 WeakPolarHBondContact O-CG 3.31Å |
| 198 | Y | 84.3 | Confident | 80.1 | Confident | 147 Ų | 147 | 96.5 Ų | 96.5 | 58% | 0.576 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -79.8 | -42.8 | 174.3 | 180 | -103.5 | 0 | 0 | 0 | 111.4 | Q194 L195 D196 K201 T202 | Q194-Y198 VanDerWaalsContact O-CB 3.3Å; Q194-Y198 WeakPolarHBondContact O-CB 3.42Å; Q194-Y198 PolarHBondContact O-N 3.48Å; L195-Y198 CarbonylContact O-C 3.58Å; L195-Y198 WeakPolarHBondContact O-CB 3.41Å; L195-Y198 PolarHBondContact O-N 3.3Å; L195-Y198 VanDerWaalsContact O-N 3.08Å; D196-Y198 VanDerWaalsContact C-N 3.27Å; D196-Y198 PolarHBondContact O-N 3.11Å; Y198-K201 PolarHBondContact O-N 3.31Å; Y198-T202 HydrophobicContact CE1-CG2 4.18Å; Y198-T202 HydrophobicContact CE2-CG2 4.22Å; Y198-T202 WeakPolarHBondContact O-CG2 3.35Å; Y198-T202 PolarHBondContact O-N 2.86Å; Y198-T202 PolarHBondContact O-OG1 2.73Å |
| 199 | M | 82.3 | Confident | 79.5 | Confident | 97 Ų | 97 | 93.8 Ų | 93.8 | 48% | 0.478 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.8 | -33.6 | -180 | -67.3 | -58.7 | -69.8 | 0 | 0 | 112.5 | L195 D196 K201 T202 K203 | L195-M199 WeakPolarHBondContact O-CB 3.43Å; L195-M199 WeakPolarHBondContact O-CG 3.24Å; L195-M199 PolarHBondContact O-N 3.42Å; D196-M199 PolarHBondContact O-N 2.76Å; M199-K201 VanDerWaalsContact C-N 3.28Å; M199-K201 PolarHBondContact O-N 3.45Å; M199-T202 WeakPolarHBondContact CA-OG1 3.35Å; M199-T202 PolarHBondContact O-N 3.4Å; M199-T202 PolarHBondContact O-OG1 2.69Å; M199-K203 WeakPolarHBondContact O-CB 3.14Å; M199-K203 PolarHBondContact O-N 2.91Å |
| 200 | S | 70.1 | Confident | 79.1 | Confident | 78 Ų | 78 | 91.8 Ų | 91.8 | 55% | 0.545 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.4 | -33.2 | 172.1 | 50.2 | 0 | 0 | 0 | 0 | 112.7 | D196 A197 | D196-S200 WeakPolarHBondContact O-CB 3.23Å; D196-S200 PolarHBondContact O-N 2.84Å; D196-S200 PolarHBondContact O-OG 3.39Å; A197-S200 WeakPolarHBondContact CA-OG 3.47Å; A197-S200 PolarHBondContact O-OG 2.71Å; A197-S200 VanDerWaalsContact O-OG 3.08Å |
| 201 | K | 68.6 | Low | 79 | Confident | 151 Ų | 151 | 93.2 Ų | 93.2 | 66% | 0.657 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -77.8 | -23.9 | 176 | -69.9 | 177.3 | -177.1 | -179.3 | 0 | 113.8 | A197 Y198 M199 | A197-K201 WeakPolarHBondContact O-CG 3.31Å; Y198-K201 PolarHBondContact O-N 3.31Å; M199-K201 VanDerWaalsContact C-N 3.28Å; M199-K201 PolarHBondContact O-N 3.45Å |
| 202 | T | 65.2 | Low | 78.5 | Confident | 43 Ų | 43 | 92 Ų | 92 | 26% | 0.264 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -104.2 | -24.1 | -173.4 | 55.4 | 0 | 0 | 0 | 0 | 113.7 | Y198 M199 L206 | Y198-T202 HydrophobicContact CE1-CG2 4.18Å; Y198-T202 HydrophobicContact CE2-CG2 4.22Å; Y198-T202 WeakPolarHBondContact O-CG2 3.35Å; Y198-T202 PolarHBondContact O-N 2.86Å; Y198-T202 PolarHBondContact O-OG1 2.73Å; M199-T202 WeakPolarHBondContact CA-OG1 3.35Å; M199-T202 PolarHBondContact O-N 3.4Å; M199-T202 PolarHBondContact O-OG1 2.69Å; T202-L206 WeakPolarHBondContact O-CB 3.45Å; T202-L206 WeakPolarHBondContact O-CD1 3.38Å; T202-L206 VanDerWaalsContact O-CG 3.22Å; T202-L206 WeakPolarHBondContact O-CG 3.35Å |
| 203 | K | 62.3 | Low | 77.8 | Confident | 138 Ų | 138 | 95.8 Ų | 95.8 | 60% | 0.6 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -68 | -177.4 | -157.4 | 174.5 | 179 | -174.8 | 0 | 112.1 | M199 H205 L206 D207 | M199-K203 WeakPolarHBondContact O-CB 3.14Å; M199-K203 PolarHBondContact O-N 2.91Å; K203-H205 PolarHBondContact O-N 3.15Å; K203-L206 PolarHBondContact O-N 2.74Å; K203-D207 WeakPolarHBondContact O-CB 3.31Å; K203-D207 PolarHBondContact O-N 3.39Å; K203-D207 VanDerWaalsContact O-OD2 3.1Å |
| 204 | G | 66.1 | Low | 77.5 | Confident | 49 Ų | 49 | 96.5 Ų | 96.5 | 51% | 0.505 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.1 | -32.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115 | A208 | G204-A208 WeakPolarHBondContact O-CB 3.29Å; G204-A208 PolarHBondContact O-N 3.15Å; G204-A208 VanDerWaalsContact O-N 3.1Å |
| 205 | H | 66.4 | Low | 76.8 | Confident | 105 Ų | 105 | 94.8 Ų | 94.8 | 49% | 0.486 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -74.7 | -41.1 | -179.9 | -177.4 | 36.8 | 0 | 0 | 0 | 112.6 | K203 E209 | K203-H205 PolarHBondContact O-N 3.15Å; H205-E209 IonicContact CE1-OE1 2.91Å; H205-E209 PolarHBondContact CE1-OE1 3.45Å; H205-E209 IonicContact ND1-OE1 3.75Å; H205-E209 IonicContact NE2-OE1 3.29Å; H205-E209 PolarHBondContact NE2-OE1 3.39Å; H205-E209 WeakPolarHBondContact O-CG 3.49Å; H205-E209 PolarHBondContact O-N 3.35Å |
| 206 | L | 72.8 | Confident | 75.7 | Confident | 84 Ų | 84 | 97.8 Ų | 97.8 | 44% | 0.44 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.5 | -35.8 | 176 | -64 | -176.5 | 0 | 0 | 0 | 111 | T202 K203 E209 L210 | T202-L206 WeakPolarHBondContact O-CB 3.45Å; T202-L206 WeakPolarHBondContact O-CD1 3.38Å; T202-L206 VanDerWaalsContact O-CG 3.22Å; T202-L206 WeakPolarHBondContact O-CG 3.35Å; K203-L206 PolarHBondContact O-N 2.74Å; L206-E209 PolarHBondContact O-N 2.86Å; L206-L210 VanDerWaalsContact O-CB 3.29Å; L206-L210 WeakPolarHBondContact O-CB 3.4Å; L206-L210 WeakPolarHBondContact O-CG 3.29Å; L206-L210 PolarHBondContact O-N 3.45Å |
| 207 | D | 75.9 | Confident | 74.5 | Confident | 78 Ų | 78 | 95.7 Ų | 95.7 | 42% | 0.417 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 175.6 | -66.6 | -18.5 | 0 | 0 | 0 | 111 | K203 L210 D211 | K203-D207 WeakPolarHBondContact O-CB 3.31Å; K203-D207 PolarHBondContact O-N 3.39Å; K203-D207 VanDerWaalsContact O-OD2 3.1Å; D207-L210 PolarHBondContact O-N 3.38Å; D207-D211 WeakPolarHBondContact O-CB 3.46Å; D207-D211 PolarHBondContact O-N 2.85Å |
| 208 | A | 76.1 | Confident | 73 | Confident | 58 Ų | 58 | 99.3 Ų | 99.3 | 48% | 0.479 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.2 | -35.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | G204 A212 | G204-A208 WeakPolarHBondContact O-CB 3.29Å; G204-A208 PolarHBondContact O-N 3.15Å; G204-A208 VanDerWaalsContact O-N 3.1Å; A208-A212 VanDerWaalsContact O-CB 3.3Å; A208-A212 WeakPolarHBondContact O-CB 3.32Å; A208-A212 PolarHBondContact O-N 3.13Å |
| 209 | E | 77.1 | Confident | 71.7 | Confident | 105 Ų | 105 | 97.5 Ų | 97.5 | 49% | 0.491 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.9 | -35.1 | 173.3 | -73.3 | -175 | 168.5 | 0 | 0 | 111.9 | H205 L206 Y213 | H205-E209 IonicContact CE1-OE1 2.91Å; H205-E209 PolarHBondContact CE1-OE1 3.45Å; H205-E209 IonicContact ND1-OE1 3.75Å; H205-E209 IonicContact NE2-OE1 3.29Å; H205-E209 PolarHBondContact NE2-OE1 3.39Å; H205-E209 WeakPolarHBondContact O-CG 3.49Å; H205-E209 PolarHBondContact O-N 3.35Å; L206-E209 PolarHBondContact O-N 2.86Å; E209-Y213 WeakPolarHBondContact O-CB 3.1Å; E209-Y213 PolarHBondContact O-N 2.93Å |
| 210 | L | 79.8 | Confident | 70.2 | Confident | 101 Ų | 101 | 101.2 Ų | 101.2 | 53% | 0.529 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.7 | -43.5 | 173.1 | -73.5 | 171.6 | 0 | 0 | 0 | 111.4 | L206 D207 A212 Y213 M214 | L206-L210 VanDerWaalsContact O-CB 3.29Å; L206-L210 WeakPolarHBondContact O-CB 3.4Å; L206-L210 WeakPolarHBondContact O-CG 3.29Å; L206-L210 PolarHBondContact O-N 3.45Å; D207-L210 PolarHBondContact O-N 3.38Å; L210-A212 VanDerWaalsContact C-N 3.34Å; L210-A212 PolarHBondContact O-N 3.37Å; L210-Y213 PolarHBondContact O-N 2.95Å; L210-M214 WeakPolarHBondContact O-CB 3.49Å; L210-M214 WeakPolarHBondContact O-CG 3.12Å; L210-M214 PolarHBondContact O-N 3.39Å |
| 211 | D | 83.8 | Confident | 69.3 | Low | 116 Ų | 116 | 103.6 Ų | 103.6 | 62% | 0.62 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.9 | -42.6 | 175.3 | -75.8 | -14.2 | 0 | 0 | 0 | 111.2 | D207 Y213 M214 A215 | D207-D211 WeakPolarHBondContact O-CB 3.46Å; D207-D211 PolarHBondContact O-N 2.85Å; D211-Y213 VanDerWaalsContact C-N 3.35Å; D211-Y213 PolarHBondContact O-N 3.09Å; D211-M214 PolarHBondContact O-N 2.91Å; D211-A215 VanDerWaalsContact O-CB 3.26Å; D211-A215 WeakPolarHBondContact O-CB 3.48Å; D211-A215 PolarHBondContact O-N 2.94Å |
| 212 | A | 82.1 | Confident | 68.4 | Low | 53 Ų | 53 | 103.7 Ų | 103.7 | 44% | 0.438 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.2 | -37.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A208 L210 Q216 | A208-A212 VanDerWaalsContact O-CB 3.3Å; A208-A212 WeakPolarHBondContact O-CB 3.32Å; A208-A212 PolarHBondContact O-N 3.13Å; L210-A212 VanDerWaalsContact C-N 3.34Å; L210-A212 PolarHBondContact O-N 3.37Å; A212-Q216 WeakPolarHBondContact O-CG 3.22Å; A212-Q216 PolarHBondContact O-N 2.97Å |
| 213 | Y | 78.1 | Confident | 67.2 | Low | 148 Ų | 148 | 113.1 Ų | 113.1 | 58% | 0.58 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -69.6 | -41.7 | 174.7 | -174.8 | -97 | 0 | 0 | 0 | 111.5 | E209 L210 D211 Q216 T217 | E209-Y213 WeakPolarHBondContact O-CB 3.1Å; E209-Y213 PolarHBondContact O-N 2.93Å; L210-Y213 PolarHBondContact O-N 2.95Å; D211-Y213 VanDerWaalsContact C-N 3.35Å; D211-Y213 PolarHBondContact O-N 3.09Å; Y213-Q216 PolarHBondContact O-N 3.35Å; Y213-T217 HydrophobicContact CD1-CG2 4.17Å; Y213-T217 HydrophobicContact CE1-CG2 3.82Å; Y213-T217 WeakPolarHBondContact O-CG2 3.37Å; Y213-T217 PolarHBondContact O-N 3.05Å; Y213-T217 PolarHBondContact O-OG1 3.43Å |
| 214 | M | 82.7 | Confident | 67.4 | Low | 117 Ų | 117 | 111.9 Ų | 111.9 | 58% | 0.576 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.3 | -42.6 | 176.7 | -69.8 | -64.6 | -69.1 | 0 | 0 | 111.1 | L210 D211 Q216 T217 D218 | L210-M214 WeakPolarHBondContact O-CB 3.49Å; L210-M214 WeakPolarHBondContact O-CG 3.12Å; L210-M214 PolarHBondContact O-N 3.39Å; D211-M214 PolarHBondContact O-N 2.91Å; M214-Q216 VanDerWaalsContact C-N 3.28Å; M214-Q216 PolarHBondContact O-N 3.08Å; M214-T217 VanDerWaalsContact CA-OG1 3.29Å; M214-T217 WeakPolarHBondContact CA-OG1 3.1Å; M214-T217 CarbonylContact O-C 3.58Å; M214-T217 WeakPolarHBondContact O-CA 3.23Å; M214-T217 PolarHBondContact O-N 3.13Å; M214-T217 PolarHBondContact O-OG1 2.9Å; M214-D218 PolarHBondContact O-N 3.44Å |
| 215 | A | 75 | Confident | 67.5 | Low | 68 Ų | 68 | 115.2 Ų | 115.2 | 56% | 0.562 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.9 | -30.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | D211 T217 | D211-A215 VanDerWaalsContact O-CB 3.26Å; D211-A215 WeakPolarHBondContact O-CB 3.48Å; D211-A215 PolarHBondContact O-N 2.94Å; A215-T217 VanDerWaalsContact C-N 3.32Å |
| 216 | Q | 66 | Low | 67.6 | Low | 162 Ų | 162 | 115.8 Ų | 115.8 | 76% | 0.757 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -76.3 | -18.4 | 171.2 | -81.5 | 178.3 | -1.3 | 0 | 0 | 113.5 | A212 Y213 M214 | A212-Q216 WeakPolarHBondContact O-CG 3.22Å; A212-Q216 PolarHBondContact O-N 2.97Å; Y213-Q216 PolarHBondContact O-N 3.35Å; M214-Q216 VanDerWaalsContact C-N 3.28Å; M214-Q216 PolarHBondContact O-N 3.08Å |
| 217 | T | 63.1 | Low | 67.3 | Low | 63 Ų | 63 | 117.6 Ų | 117.6 | 39% | 0.387 | 64% | 0.643 | S | S | . | * | S | Bend | trans | -95.9 | 0.3 | 179.4 | 57.7 | 0 | 0 | 0 | 0 | 114.4 | Y213 M214 A215 P219 | Y213-T217 HydrophobicContact CD1-CG2 4.17Å; Y213-T217 HydrophobicContact CE1-CG2 3.82Å; Y213-T217 WeakPolarHBondContact O-CG2 3.37Å; Y213-T217 PolarHBondContact O-N 3.05Å; Y213-T217 PolarHBondContact O-OG1 3.43Å; M214-T217 VanDerWaalsContact CA-OG1 3.29Å; M214-T217 WeakPolarHBondContact CA-OG1 3.1Å; M214-T217 CarbonylContact O-C 3.58Å; M214-T217 WeakPolarHBondContact O-CA 3.23Å; M214-T217 PolarHBondContact O-N 3.13Å; M214-T217 PolarHBondContact O-OG1 2.9Å; A215-T217 VanDerWaalsContact C-N 3.32Å; T217-P219 WeakPolarHBondContact O-CD 3.34Å |
| 218 | D | 56 | Low | 66.7 | Low | 124 Ų | 124 | 120.1 Ų | 120.1 | 66% | 0.663 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -79.7 | 97.6 | 159.3 | -70.8 | -29.5 | 0 | 0 | 0 | 106.9 | M214 E220 | M214-D218 PolarHBondContact O-N 3.44Å; D218-E220 PolarHBondContact O-N 3.25Å; D218-E220 VanDerWaalsContact O-N 3.12Å |
| 219 | P | 56.7 | Low | 66.1 | Low | 109 Ų | 109 | 124.3 Ų | 124.3 | 71% | 0.708 | 67% | 0.668 | S | S | * | * | trans | -61.1 | 121 | 166.8 | 28 | -33.8 | 0 | 0 | 0 | 106.6 | T217 T221 | T217-P219 WeakPolarHBondContact O-CD 3.34Å; P219-T221 VanDerWaalsContact C-N 3.33Å; P219-T221 PolarHBondContact O-N 3.21Å | ||
| 220 | E | 50.5 | Low | 65.3 | Low | 175 Ų | 175 | 125.6 Ų | 125.6 | 82% | 0.818 | 68% | 0.681 | S | S | * | * | trans | -29.6 | 104.1 | 148 | -71.2 | -73.6 | 141.3 | 0 | 0 | 108.1 | D218 N222 | D218-E220 PolarHBondContact O-N 3.25Å; D218-E220 VanDerWaalsContact O-N 3.12Å; E220-N222 VanDerWaalsContact C-N 3.33Å; E220-N222 PolarHBondContact O-N 3.36Å | ||
| 221 | T | 51 | Low | 64.2 | Low | 128 Ų | 128 | 127.5 Ų | 127.5 | 79% | 0.785 | 69% | 0.693 | S | S | * | * | trans | -57.4 | 107.2 | 160.5 | 41 | 0 | 0 | 0 | 0 | 104.9 | P219 D223 | P219-T221 VanDerWaalsContact C-N 3.33Å; P219-T221 PolarHBondContact O-N 3.21Å; T221-D223 PolarHBondContact O-N 3.45Å | ||
| 222 | N | 49.1 | Very low | 62.5 | Low | 153 Ų | 153 | 128.5 Ų | 128.5 | 82% | 0.818 | 70% | 0.699 | S | S | * | * | trans | -41.2 | 122.8 | 165.1 | -64 | -72.7 | 0 | 0 | 0 | 109.3 | E220 | E220-N222 VanDerWaalsContact C-N 3.33Å; E220-N222 PolarHBondContact O-N 3.36Å | ||
| 223 | D | 40.2 | Very low | 60.8 | Low | 242 Ų | 242 | 135.4 Ų | 135.4 | 100% | 1.294 | 72% | 0.723 | S | S | * | * | trans | -152.6 | 0 | 139.4 | -85.4 | -31.7 | 0 | 0 | 0 | 109 | T221 | T221-D223 PolarHBondContact O-N 3.45Š|
Retrieved 223 of 223 residues in 31.1 ms
(Link to these results)